91
Coordinates from ORCA-job orca E -6562.560828853843
  N      -1.583629      0.882658      5.460909
  Mo     -2.756299      2.361708      4.867536
  N      -4.319878      2.056199      5.957574
  C      -4.254774      2.345375      7.372497
  C      -2.807657      2.198833      7.846035
  N      -1.905561      2.894991      6.916079
  C      -0.537758      2.374824      7.012979
  C      -0.493710      0.980578      6.389910
  C      -1.882484      4.345903      7.166458
  C      -1.891838      4.998907      5.777270
  N      -2.948631      4.325671      5.065389
  H       0.475785      0.819781      5.887571
  H      -0.586470      0.199168      7.162807
  H       0.112812      3.047232      6.448138
  H      -0.204104      2.352506      8.058331
  H      -2.047187      6.082357      5.844125
  H      -0.932438      4.830528      5.274106
  H      -2.795143      4.639489      7.689927
  H      -1.017862      4.634953      7.771126
  H      -4.877595      1.649476      7.951658
  H      -4.632468      3.364539      7.568540
  H      -2.569468      1.133535      7.823620
  H      -2.681825      2.577882      8.867927
  C      -3.723717     -6.546309      3.368110
  C      -2.862558     -5.324042      3.489079
  O      -1.716302     -5.374167      3.895306
  C      -3.490015     -4.024297      3.126538
  C      -4.644514     -3.924137      2.342382
  C      -5.173736     -2.676309      2.061170
  C      -4.573737     -1.546596      2.572106
  F      -5.143342     -0.345808      2.285623
  C      -3.415444     -1.595641      3.374181
  C      -2.857210     -0.400118      3.961191
  O      -3.277788      0.743343      3.658237
  C      -1.701959     -0.438064      4.916282
  C      -2.893256     -2.872902      3.617538
  C      -5.436611     12.044887      2.478497
  C      -4.778198     10.695374      2.372841
  O      -3.933095     10.461123      1.525830
  C      -5.198862      9.658165      3.347450
  C      -6.130393      9.896156      4.370507
  C      -6.480634      8.870503      5.231167
  C      -5.900814      7.626440      5.098700
  F      -6.321118      6.647312      5.943181
  C      -4.945779      7.344609      4.103921
  C      -4.276717      6.062521      3.910320
  O      -3.770303      5.765597      2.818889
  C      -4.176184      5.085740      5.085205
  C      -4.638664      8.394570      3.231112
  C      -8.237472     -5.546571      4.337866
  C      -7.143544     -4.619197      4.795708
  O      -6.065884     -5.049954      5.176512
  C      -7.425948     -3.167716      4.759552
  C      -8.653988     -2.635389      4.333311
  C      -8.833117     -1.265512      4.313447
  C      -7.812978     -0.423094      4.709041
  F      -8.065677      0.912549      4.649953
  C      -6.567280     -0.905534      5.145794
  C      -5.417163     -0.095668      5.561083
  O      -4.345050     -0.621052      5.852846
  C      -5.549093      1.426875      5.571448
  C      -6.422097     -2.296720      5.156531
  H      -3.186502     -7.411889      3.747244
  H      -4.630125     -6.386468      3.949491
  H      -3.996161     -6.717618      2.329836
  H      -5.120611     -4.802197      1.941760
  H      -6.058730     -2.568841      1.453019
  H      -0.781718     -0.739526      4.377901
  H      -1.882013     -1.173606      5.714041
  H      -2.003972     -2.984873      4.217297
  H      -5.220750     12.487580      3.448492
  H      -6.514266     11.943940      2.371854
  H      -5.053749     12.693210      1.694207
  H      -6.586092     10.863079      4.494596
  H      -7.211394      9.022918      6.010433
  H      -4.262321      5.648349      6.023604
  H      -5.035964      4.404197      5.026590
  H      -3.921194      8.209154      2.444128
  H      -9.120816     -5.414576      4.958463
  H      -7.895377     -6.575658      4.415899
  H      -8.502737     -5.329552      3.305882
  H      -9.460801     -3.274294      4.018891
  H      -9.765361     -0.830042      3.987595
  H      -6.386994      1.711064      6.226581
  H      -5.812596      1.723823      4.549303
  H      -5.475186     -2.704518      5.481605
  N      -1.306137      2.756055      3.358092
  N      -0.362684      3.012611      2.376071
  H      -0.701573      3.744136      1.766397
  H      -0.200523      2.172916      1.837283
  H       0.501870      3.307824      2.808589
91
Coordinates from ORCA-job orca E -6562.581220304186
  N      -1.527038      0.875872      5.463017
  Mo     -2.678985      2.380925      4.872232
  N      -4.278055      2.053957      5.939873
  C      -4.229632      2.340342      7.367968
  C      -2.792500      2.176010      7.861896
  N      -1.863832      2.878506      6.945763
  C      -0.493548      2.340753      7.055842
  C      -0.453061      0.952533      6.417555
  C      -1.842825      4.339899      7.209514
  C      -1.831824      5.013679      5.832810
  N      -2.883868      4.348952      5.097126
  H       0.529182      0.793323      5.931052
  H      -0.563161      0.158049      7.181181
  H       0.171966      3.018559      6.508976
  H      -0.176820      2.306428      8.109500
  H      -1.989329      6.099425      5.915342
  H      -0.861152      4.853545      5.336258
  H      -2.766847      4.626898      7.725421
  H      -0.984777      4.617158      7.837259
  H      -4.864055      1.642477      7.936737
  H      -4.606664      3.362412      7.568682
  H      -2.557705      1.106879      7.835076
  H      -2.675756      2.547533      8.891689
  C      -3.889275     -6.472150      3.338161
  C      -2.959366     -5.292763      3.442255
  O      -1.822515     -5.388146      3.884750
  C      -3.513035     -3.966289      3.030426
  C      -4.644441     -3.837100      2.210892
  C      -5.129435     -2.574234      1.896639
  C      -4.509152     -1.455417      2.419328
  F      -5.050801     -0.249866      2.117175
  C      -3.368959     -1.532579      3.255875
  C      -2.792292     -0.358704      3.882439
  O      -3.196037      0.803654      3.606602
  C      -1.661083     -0.431691      4.869221
  C      -2.886853     -2.824867      3.521214
  C      -5.493410     12.057313      2.451729
  C      -4.798939     10.718219      2.375285
  O      -3.911943     10.503447      1.559661
  C      -5.230309      9.656634      3.335270
  C      -6.208275      9.866034      4.323903
  C      -6.567652      8.828194      5.173868
  C      -5.945563      7.596404      5.057824
  F      -6.370856      6.605151      5.882318
  C      -4.946357      7.341242      4.099245
  C      -4.227607      6.063957      3.924764
  O      -3.682610      5.794220      2.854453
  C      -4.131143      5.080040      5.101554
  C      -4.631271      8.402434      3.238263
  C      -8.264876     -5.640339      4.524775
  C      -7.190282     -4.689652      4.996120
  O      -6.129492     -5.107867      5.450053
  C      -7.459151     -3.226562      4.875150
  C      -8.657718     -2.709307      4.348687
  C      -8.827549     -1.336484      4.235387
  C      -7.818127     -0.476960      4.641003
  F      -8.045794      0.850144      4.481639
  C      -6.605175     -0.939506      5.182057
  C      -5.453819     -0.114361      5.613539
  O      -4.430378     -0.663657      6.008476
  C      -5.518177      1.420655      5.537456
  C      -6.471577     -2.333496      5.284092
  H      -3.407718     -7.358650      3.758058
  H      -4.809253     -6.239547      3.897149
  H      -4.153727     -6.664370      2.291790
  H      -5.145293     -4.713200      1.811267
  H      -6.003198     -2.445287      1.262553
  H      -0.733579     -0.737445      4.337675
  H      -1.867510     -1.191955      5.642456
  H      -2.016294     -2.960012      4.158381
  H      -5.329572     12.511574      3.436184
  H      -6.572511     11.935439      2.302371
  H      -5.091043     12.716477      1.678646
  H      -6.697363     10.829140      4.431854
  H      -7.337481      8.959871      5.930525
  H      -4.260952      5.630881      6.047036
  H      -4.977523      4.378238      5.012284
  H      -3.874695      8.236055      2.474133
  H      -9.188542     -5.479730      5.093027
  H      -7.927627     -6.669583      4.669576
  H      -8.481494     -5.472616      3.463196
  H      -9.455531     -3.367725      4.019438
  H      -9.740850     -0.912856      3.824444
  H      -6.371648      1.746514      6.154855
  H      -5.748612      1.694286      4.496562
  H      -5.541248     -2.727778      5.687509
  N      -1.248400      2.799089      3.407795
  N      -0.297638      3.077877      2.415825
  H      -0.624319      3.836249      1.796887
  H      -0.115575      2.242603      1.840150
  H       0.587875      3.371865      2.850166
91
Coordinates from ORCA-job orca E -6562.593122564772
  N      -1.450916      0.847381      5.489440
  Mo     -2.588017      2.380000      4.904856
  N      -4.196103      2.059547      6.003097
  C      -4.110142      2.346078      7.442720
  C      -2.667144      2.169104      7.908754
  N      -1.737885      2.866929      6.965357
  C      -0.365386      2.304918      7.053258
  C      -0.362032      0.911250      6.429833
  C      -1.702590      4.344992      7.215195
  C      -1.718399      5.019842      5.842449
  N      -2.794620      4.361030      5.130389
  H       0.615263      0.734038      5.931815
  H      -0.470329      0.122397      7.204966
  H       0.299619      2.974853      6.490886
  H      -0.032640      2.278198      8.104877
  H      -1.870605      6.109121      5.931821
  H      -0.757454      4.857154      5.318097
  H      -2.617517      4.634439      7.752549
  H      -0.828869      4.611355      7.833620
  H      -4.740907      1.654892      8.027056
  H      -4.472801      3.373660      7.653431
  H      -2.433511      1.097154      7.880624
  H      -2.522104      2.544155      8.937004
  C      -3.756706     -6.535353      3.507611
  C      -2.877898     -5.307297      3.567526
  O      -1.719263     -5.348484      3.975691
  C      -3.484223     -3.994060      3.147799
  C      -4.645959     -3.903318      2.358957
  C      -5.168514     -2.653622      2.021526
  C      -4.550877     -1.504320      2.495809
  F      -5.125203     -0.325785      2.175664
  C      -3.383751     -1.542167      3.305889
  C      -2.779863     -0.363495      3.908556
  O      -3.174423      0.816146      3.645023
  C      -1.636924     -0.451390      4.880131
  C      -2.870139     -2.822791      3.593432
  C      -5.690036     11.984498      2.391866
  C      -4.947141     10.666188      2.343140
  O      -4.043137     10.470644      1.535077
  C      -5.342195      9.588041      3.316482
  C      -6.335117      9.769521      4.297988
  C      -6.663755      8.729682      5.165597
  C      -5.986856      7.518592      5.062513
  F      -6.371168      6.520822      5.895769
  C      -4.975572      7.290851      4.112155
  C      -4.196517      6.022741      3.954562
  O      -3.647427      5.771072      2.893715
  C      -4.060728      5.055910      5.150235
  C      -4.691910      8.351679      3.237510
  C      -8.454768     -5.481014      4.202621
  C      -7.353948     -4.590843      4.737967
  O      -6.303002     -5.066929      5.166136
  C      -7.567543     -3.104177      4.716738
  C      -8.743893     -2.510931      4.215588
  C      -8.870877     -1.124500      4.182273
  C      -7.825496     -0.331651      4.647736
  F      -7.991355      1.007126      4.574500
  C      -6.636404     -0.870040      5.169580
  C      -5.448571     -0.093600      5.648452
  O      -4.454358     -0.698094      6.032654
  C      -5.452516      1.446088      5.597717
  C      -6.548192     -2.273277      5.191142
  H      -3.215187     -7.394599      3.923095
  H      -4.676716     -6.348667      4.093645
  H      -4.049285     -6.759337      2.466752
  H      -5.143566     -4.805566      1.994121
  H      -6.066877     -2.556337      1.405477
  H      -0.727978     -0.783916      4.325748
  H      -1.844746     -1.217009      5.653476
  H      -1.972545     -2.926350      4.210878
  H      -5.556319     12.466210      3.376189
  H      -6.771450     11.827827      2.237306
  H      -5.300971     12.646946      1.608473
  H      -6.864494     10.722033      4.389594
  H      -7.446757      8.840751      5.921433
  H      -4.210307      5.610120      6.096234
  H      -4.892282      4.330313      5.068859
  H      -3.921048      8.203721      2.475498
  H      -9.386096     -5.333137      4.776467
  H      -8.143540     -6.530112      4.282103
  H      -8.669904     -5.239864      3.146932
  H      -9.565863     -3.125884      3.838641
  H      -9.769975     -0.640440      3.790238
  H      -6.302259      1.785826      6.218318
  H      -5.682462      1.745935      4.561038
  H      -5.629413     -2.725384      5.575052
  N      -1.266142      2.791969      3.444660
  N      -0.369313      3.071883      2.391825
  H      -0.707999      3.843591      1.767556
  H      -0.195681      2.239036      1.782876
  H       0.557592      3.370748      2.766202
91
Coordinates from ORCA-job orca E -6562.601974297498
  N      -1.435505      0.819633      5.512357
  Mo     -2.524640      2.389564      4.904003
  N      -4.172450      2.069248      5.979322
  C      -4.101592      2.361322      7.421553
  C      -2.672208      2.163644      7.911338
  N      -1.710240      2.848300      6.982866
  C      -0.349599      2.254420      7.093912
  C      -0.369652      0.858117      6.477162
  C      -1.660483      4.330886      7.235718
  C      -1.657744      5.018959      5.873217
  N      -2.733551      4.382346      5.143913
  H       0.616209      0.657254      6.004931
  H      -0.510733      0.074877      7.253016
  H       0.337587      2.913729      6.545782
  H      -0.039378      2.226192      8.152180
  H      -1.801738      6.108626      5.975337
  H      -0.695187      4.854447      5.352208
  H      -2.579265      4.619728      7.766686
  H      -0.793320      4.574522      7.873405
  H      -4.750280      1.679752      7.997407
  H      -4.455710      3.392969      7.624117
  H      -2.445490      1.090396      7.887285
  H      -2.533496      2.538630      8.940211
  C      -3.906334     -6.482432      3.453994
  C      -2.997348     -5.279478      3.544333
  O      -1.863651     -5.348443      4.014583
  C      -3.535482     -3.947356      3.086492
  C      -4.656392     -3.822635      2.244768
  C      -5.126824     -2.559304      1.878666
  C      -4.498513     -1.426052      2.381311
  F      -5.018202     -0.231831      2.040262
  C      -3.373303     -1.497427      3.242390
  C      -2.761285     -0.341630      3.874984
  O      -3.134913      0.851174      3.617379
  C      -1.650216     -0.461875      4.878417
  C      -2.907423     -2.792403      3.555170
  C      -5.761087     11.965506      2.397006
  C      -4.979108     10.671265      2.361616
  O      -4.043644     10.510508      1.582201
  C      -5.369093      9.566324      3.309550
  C      -6.397444      9.705905      4.259578
  C      -6.724156      8.650548      5.110266
  C      -6.003450      7.462251      5.013532
  F      -6.374913      6.442000      5.824574
  C      -4.960155      7.277115      4.093312
  C      -4.132765      6.024976      3.948212
  O      -3.551349      5.802735      2.902377
  C      -4.003929      5.058753      5.149212
  C      -4.677538      8.351312      3.237788
  C      -8.412978     -5.509598      4.358002
  C      -7.332274     -4.597484      4.892829
  O      -6.297313     -5.052041      5.377947
  C      -7.534321     -3.110278      4.802067
  C      -8.684069     -2.535359      4.226499
  C      -8.806140     -1.151443      4.122075
  C      -7.771609     -0.345812      4.595276
  F      -7.919345      0.988919      4.459941
  C      -6.610500     -0.867756      5.189818
  C      -5.429178     -0.071811      5.680684
  O      -4.469966     -0.664736      6.157963
  C      -5.416116      1.459352      5.551716
  C      -6.528351     -2.266165      5.281568
  H      -3.408249     -7.350197      3.904374
  H      -4.852923     -6.270326      3.984695
  H      -4.154281     -6.711993      2.402508
  H      -5.166460     -4.711796      1.865037
  H      -5.993192     -2.436165      1.223734
  H      -0.739960     -0.818827      4.340196
  H      -1.894492     -1.234321      5.635004
  H      -2.044750     -2.921749      4.214640
  H      -5.679534     12.443297      3.389319
  H      -6.833261     11.783007      2.207847
  H      -5.364899     12.645758      1.633004
  H      -6.957520     10.641901      4.340711
  H      -7.532631      8.729487      5.841960
  H      -4.191303      5.605872      6.093886
  H      -4.824676      4.324436      5.044024
  H      -3.879625      8.234911      2.498817
  H      -9.367291     -5.338142      4.886351
  H      -8.104622     -6.553388      4.494899
  H      -8.594121     -5.316106      3.285930
  H      -9.492298     -3.165920      3.844986
  H      -9.685087     -0.682148      3.672466
  H      -6.282980      1.835323      6.128564
  H      -5.614295      1.718977      4.498260
  H      -5.628634     -2.703595      5.722727
  N      -1.269299      2.803925      3.499821
  N      -0.411932      3.090627      2.428175
  H      -0.752487      3.869094      1.812606
  H      -0.242441      2.273093      1.797279
  H       0.529486      3.387371      2.766005
91
Coordinates from ORCA-job orca E -6562.607849219888
  N      -1.388975      0.791460      5.527237
  Mo     -2.449759      2.380837      4.895407
  N      -4.118869      2.070575      5.972607
  C      -4.044307      2.373346      7.408278
  C      -2.620521      2.166333      7.904544
  N      -1.646445      2.837493      6.978574
  C      -0.294220      2.227894      7.096673
  C      -0.332822      0.823708      6.498602
  C      -1.589115      4.319931      7.227702
  C      -1.595924      5.011333      5.868918
  N      -2.675614      4.386526      5.141153
  H       0.654513      0.600210      6.041425
  H      -0.489605      0.055589      7.285261
  H       0.400662      2.876131      6.546348
  H       0.011166      2.209430      8.155817
  H      -1.736775      6.100117      5.979433
  H      -0.638530      4.848913      5.339919
  H      -2.504297      4.605063      7.764785
  H      -0.721504      4.553524      7.866977
  H      -4.702330      1.704112      7.987467
  H      -4.388826      3.409290      7.601073
  H      -2.396776      1.093439      7.888965
  H      -2.478481      2.548682      8.929080
  C      -3.927422     -6.488320      3.527719
  C      -3.021408     -5.288150      3.619976
  O      -1.889237     -5.359692      4.088132
  C      -3.549542     -3.956950      3.155452
  C      -4.671932     -3.827790      2.318430
  C      -5.123859     -2.565279      1.933977
  C      -4.477459     -1.434296      2.415765
  F      -4.971685     -0.234653      2.056193
  C      -3.356308     -1.509596      3.277597
  C      -2.730032     -0.356543      3.892666
  O      -3.099965      0.837538      3.623494
  C      -1.625370     -0.483612      4.899607
  C      -2.907718     -2.806377      3.609082
  C      -5.884035     11.903442      2.425721
  C      -5.059888     10.638991      2.393480
  O      -4.105277     10.518297      1.632659
  C      -5.430411      9.512708      3.319785
  C      -6.481026      9.608954      4.248225
  C      -6.791304      8.538730      5.084274
  C      -6.029547      7.377370      4.991047
  F      -6.379746      6.336237      5.786736
  C      -4.965011      7.236435      4.089650
  C      -4.092140      6.011107      3.949374
  O      -3.491062      5.815107      2.906965
  C      -3.946553      5.050090      5.152745
  C      -4.697805      8.323875      3.249608
  C      -8.455056     -5.403240      4.249090
  C      -7.379872     -4.516155      4.827223
  O      -6.367381     -4.991317      5.335243
  C      -7.554560     -3.027081      4.750000
  C      -8.671440     -2.430015      4.138713
  C      -8.770648     -1.045527      4.040287
  C      -7.740885     -0.262231      4.556005
  F      -7.864677      1.077514      4.429138
  C      -6.611905     -0.809400      5.189159
  C      -5.428682     -0.037021      5.719766
  O      -4.511604     -0.645538      6.255237
  C      -5.364025      1.484129      5.542168
  C      -6.553636     -2.206831      5.275190
  H      -3.426522     -7.354518      3.973992
  H      -4.874005     -6.284365      4.055484
  H      -4.175921     -6.714753      2.477685
  H      -5.194690     -4.713694      1.954359
  H      -5.986913     -2.438499      1.279023
  H      -0.722760     -0.866744      4.366450
  H      -1.882602     -1.248704      5.658180
  H      -2.047569     -2.940414      4.266349
  H      -5.842146     12.372606      3.422197
  H      -6.944223     11.689577      2.215421
  H      -5.495589     12.603464      1.677982
  H      -7.071254     10.523935      4.323626
  H      -7.614616      8.584496      5.798308
  H      -4.149317      5.595546      6.094341
  H      -4.759471      4.308818      5.044884
  H      -3.884301      8.241382      2.526259
  H      -9.421977     -5.224157      4.746397
  H      -8.166374     -6.451673      4.381499
  H      -8.602850     -5.193882      3.177192
  H      -9.472147     -3.045080      3.724083
  H      -9.624075     -0.560251      3.565100
  H      -6.231016      1.904615      6.088450
  H      -5.542417      1.717748      4.480452
  H      -5.678818     -2.661681      5.743076
  N      -1.281939      2.796701      3.510558
  N      -0.499106      3.084658      2.402484
  H      -0.874775      3.858354      1.808041
  H      -0.354947      2.273851      1.762190
  H       0.456903      3.389078      2.678225
91
Coordinates from ORCA-job orca E -6562.611833828472
  N      -1.370543      0.766670      5.541889
  Mo     -2.391809      2.374541      4.882111
  N      -4.081570      2.086174      5.950406
  C      -4.015129      2.399961      7.377914
  C      -2.600203      2.178346      7.891816
  N      -1.606878      2.830656      6.976319
  C      -0.267134      2.200941      7.106229
  C      -0.328055      0.789226      6.526722
  C      -1.533089      4.309323      7.224988
  C      -1.544550      5.002487      5.867129
  N      -2.629490      4.391171      5.139189
  H       0.660630      0.534025      6.091370
  H      -0.512243      0.039942      7.324654
  H       0.440909      2.831610      6.552972
  H       0.033164      2.190649      8.166638
  H      -1.676180      6.091542      5.983636
  H      -0.590045      4.837023      5.334850
  H      -2.442796      4.599236      7.767429
  H      -0.663178      4.533251      7.863126
  H      -4.688790      1.746407      7.956807
  H      -4.347096      3.442308      7.558574
  H      -2.388372      1.103642      7.887752
  H      -2.463545      2.567156      8.914012
  C      -3.991534     -6.497605      3.538100
  C      -3.089072     -5.301887      3.673958
  O      -1.974110     -5.382359      4.177008
  C      -3.597669     -3.967356      3.205026
  C      -4.703076     -3.826186      2.348801
  C      -5.126550     -2.560629      1.949959
  C      -4.470929     -1.438127      2.434147
  F      -4.929740     -0.231017      2.047274
  C      -3.369951     -1.524284      3.320104
  C      -2.731156     -0.374046      3.923803
  O      -3.085758      0.820095      3.635360
  C      -1.633396     -0.509257      4.935570
  C      -2.949859     -2.826085      3.668435
  C      -5.973609     11.865101      2.461763
  C      -5.110484     10.628505      2.434121
  O      -4.134686     10.548281      1.696739
  C      -5.470342      9.482318      3.334878
  C      -6.546596      9.535665      4.235964
  C      -6.844260      8.448330      5.052289
  C      -6.046822      7.312838      4.966978
  F      -6.382076      6.253122      5.746295
  C      -4.957861      7.214143      4.089424
  C      -4.047739      6.020009      3.958466
  O      -3.424315      5.846007      2.921383
  C      -3.893165      5.061097      5.159735
  C      -4.701142      8.318196      3.269197
  C      -8.423566     -5.347912      4.219132
  C      -7.360133     -4.463504      4.819217
  O      -6.365676     -4.941072      5.357541
  C      -7.527096     -2.977324      4.728877
  C      -8.620096     -2.380910      4.077759
  C      -8.711852     -0.997978      3.970531
  C      -7.698725     -0.215107      4.514300
  F      -7.822628      1.126265      4.382694
  C      -6.591347     -0.762600      5.184413
  C      -5.420695      0.005853      5.742814
  O      -4.542197     -0.594326      6.348641
  C      -5.323790      1.515648      5.511713
  C      -6.540737     -2.158558      5.280790
  H      -3.504532     -7.369624      3.985891
  H      -4.953262     -6.302688      4.036931
  H      -4.207205     -6.707526      2.479255
  H      -5.232482     -4.704495      1.981206
  H      -5.972639     -2.424042      1.277274
  H      -0.740393     -0.929551      4.414697
  H      -1.911642     -1.256870      5.704177
  H      -2.103513     -2.971483      4.338385
  H      -5.972432     12.320310      3.463663
  H      -7.019532     11.621554      2.223116
  H      -5.589308     12.586780      1.734222
  H      -7.165188     10.429951      4.305105
  H      -7.684846      8.461588      5.744906
  H      -4.096119      5.609093      6.099353
  H      -4.709409      4.323465      5.054756
  H      -3.869638      8.269179      2.565738
  H      -9.401305     -5.159039      4.686870
  H      -8.145523     -6.396205      4.366295
  H      -8.541235     -5.145221      3.144045
  H      -9.408144     -2.995148      3.642940
  H      -9.548858     -0.513481      3.469415
  H      -6.195883      1.975639      6.018441
  H      -5.476346      1.710839      4.438955
  H      -5.684517     -2.613217      5.779050
  N      -1.271551      2.797574      3.488349
  N      -0.552265      3.091574      2.349130
  H      -0.965858      3.864412      1.785549
  H      -0.442704      2.284352      1.702783
  H       0.413856      3.397911      2.573886
91
Coordinates from ORCA-job orca E -6562.615290165831
  N      -1.352483      0.745583      5.552292
  Mo     -2.339521      2.365724      4.869342
  N      -4.045731      2.099422      5.928318
  C      -3.988149      2.424160      7.348596
  C      -2.581666      2.189123      7.880283
  N      -1.570723      2.824932      6.975369
  C      -0.241570      2.178638      7.114069
  C      -0.321908      0.761324      6.550722
  C      -1.481093      4.300069      7.222692
  C      -1.499546      4.993288      5.863397
  N      -2.591927      4.393109      5.138502
  H       0.666722      0.476774      6.136040
  H      -0.532697      0.030114      7.358477
  H       0.476882      2.792585      6.555407
  H       0.058490      2.175226      8.174744
  H      -1.620571      6.083291      5.983635
  H      -0.547638      4.823522      5.327712
  H      -2.383591      4.597745      7.772745
  H      -0.606058      4.518667      7.854739
  H      -4.676358      1.786354      7.927873
  H      -4.307376      3.472899      7.518613
  H      -2.383991      1.112086      7.888082
  H      -2.452823      2.583669      8.901135
  C      -4.036483     -6.518693      3.569844
  C      -3.142160     -5.323108      3.746905
  O      -2.045015     -5.407595      4.286193
  C      -3.634835     -3.988341      3.265328
  C      -4.720158     -3.843021      2.384750
  C      -5.119981     -2.576559      1.968257
  C      -4.461787     -1.458358      2.455061
  F      -4.893203     -0.249371      2.038547
  C      -3.382203     -1.547654      3.368185
  C      -2.734250     -0.396482      3.960348
  O      -3.075636      0.795503      3.653941
  C      -1.640050     -0.535626      4.973480
  C      -2.987053     -2.851213      3.736846
  C      -6.054926     11.836328      2.498771
  C      -5.159181     10.622966      2.472404
  O      -4.169657     10.577075      1.750782
  C      -5.505629      9.460915      3.354652
  C      -6.598534      9.477810      4.237040
  C      -6.879314      8.375832      5.038626
  C      -6.052185      7.263049      4.959116
  F      -6.369233      6.190265      5.729017
  C      -4.947719      7.199101      4.096803
  C      -4.009920      6.033631      3.972176
  O      -3.371031      5.877485      2.938651
  C      -3.845101      5.076636      5.170390
  C      -4.705929      8.317787      3.291433
  C      -8.406253     -5.296121      4.174201
  C      -7.352609     -4.416946      4.799222
  O      -6.376771     -4.901252      5.364753
  C      -7.507997     -2.932382      4.696172
  C      -8.575936     -2.333391      4.007093
  C      -8.656152     -0.950802      3.894466
  C      -7.659326     -0.170173      4.467413
  F      -7.779981      1.172401      4.331848
  C      -6.575010     -0.719479      5.172459
  C      -5.421176      0.044759      5.761968
  O      -4.578364     -0.546886      6.425518
  C      -5.287949      1.543491      5.481237
  C      -6.535093     -2.115724      5.274815
  H      -3.562099     -7.394615      4.022616
  H      -5.013247     -6.331333      4.040019
  H      -4.217243     -6.716100      2.502704
  H      -5.251505     -4.717700      2.013376
  H      -5.948775     -2.436074      1.275664
  H      -0.758061     -0.991363      4.464633
  H      -1.936202     -1.263343      5.755361
  H      -2.156568     -3.001964      4.424751
  H      -6.082034     12.279119      3.505158
  H      -7.089180     11.567294      2.240344
  H      -5.678593     12.576295      1.786088
  H      -7.241616     10.353971      4.302964
  H      -7.730717      8.361584      5.717354
  H      -4.038214      5.631443      6.108644
  H      -4.670073      4.346875      5.075824
  H      -3.862889      8.297119      2.601232
  H      -9.394240     -5.095996      4.613223
  H      -8.142013     -6.345834      4.333664
  H      -8.491742     -5.097573      3.095896
  H      -9.352894     -2.944574      3.550389
  H      -9.475736     -0.464066      3.368057
  H      -6.161974      2.041049      5.948929
  H      -5.415466      1.700430      4.399102
  H      -5.698829     -2.572450      5.803288
  N      -1.262120      2.800640      3.444460
  N      -0.616175      3.111932      2.266192
  H      -1.080071      3.883037      1.743545
  H      -0.544920      2.307414      1.614175
  H       0.357413      3.425878      2.434964
91
Coordinates from ORCA-job orca E -6562.618299801922
  N      -1.333076      0.729145      5.560037
  Mo     -2.289314      2.360032      4.861133
  N      -4.014255      2.108779      5.902759
  C      -3.970435      2.439488      7.320259
  C      -2.573896      2.190837      7.872907
  N      -1.542839      2.816349      6.983639
  C      -0.222476      2.154895      7.131672
  C      -0.318190      0.735887      6.577237
  C      -1.439064      4.289416      7.232342
  C      -1.459950      4.985591      5.872545
  N      -2.559828      4.398175      5.147318
  H       0.671432      0.426100      6.185128
  H      -0.559144      0.018181      7.389033
  H       0.505939      2.755732      6.570774
  H       0.076907      2.153540      8.193044
  H      -1.569054      6.076863      5.997612
  H      -0.508462      4.811292      5.336139
  H      -2.334880      4.595833      7.789361
  H      -0.558343      4.502542      7.858557
  H      -4.672969      1.813583      7.895530
  H      -4.279154      3.493179      7.484235
  H      -2.390239      1.111202      7.888303
  H      -2.458013      2.586316      8.895293
  C      -4.077162     -6.534175      3.584213
  C      -3.189815     -5.339058      3.800981
  O      -2.115556     -5.426031      4.385336
  C      -3.662768     -4.002619      3.302765
  C      -4.721854     -3.853070      2.391017
  C      -5.099169     -2.584676      1.958250
  C      -4.443640     -1.470073      2.455962
  F      -4.851374     -0.260991      2.015884
  C      -3.389416     -1.563342      3.399868
  C      -2.734217     -0.413231      3.989604
  O      -3.059845      0.777238      3.669358
  C      -1.646456     -0.557686      5.007080
  C      -3.018993     -2.868236      3.787319
  C      -6.104390     11.826123      2.522243
  C      -5.183181     10.630396      2.503190
  O      -4.178342     10.611797      1.800789
  C      -5.524085      9.453998      3.368496
  C      -6.635421      9.440385      4.228366
  C      -6.906766      8.325668      5.015902
  C      -6.054086      7.231725      4.946875
  F      -6.361450      6.149516      5.706959
  C      -4.931874      7.196212      4.104386
  C      -3.969583      6.054107      3.989895
  O      -3.312019      5.916701      2.964554
  C      -3.801731      5.096419      5.185440
  C      -4.699120      8.327686      3.312907
  C      -8.399872     -5.277924      4.177642
  C      -7.345900     -4.397992      4.804084
  O      -6.382375     -4.884550      5.389844
  C      -7.490526     -2.913885      4.680088
  C      -8.542719     -2.317490      3.963569
  C      -8.613842     -0.935247      3.837139
  C      -7.626374     -0.151954      4.422232
  F      -7.744115      1.189587      4.275390
  C      -6.556328     -0.696952      5.151724
  C      -5.415797      0.070028      5.758823
  O      -4.604159     -0.509825      6.470797
  C      -5.253746      1.560828      5.439736
  C      -6.524716     -2.093587      5.267732
  H      -3.619830     -7.413768      4.048127
  H      -5.069941     -6.348088      4.022356
  H      -4.219481     -6.724045      2.509241
  H      -5.251674     -4.725292      2.010067
  H      -5.908216     -2.440363      1.242462
  H      -0.775539     -1.047931      4.512074
  H      -1.963089     -1.264612      5.801449
  H      -2.208692     -3.023978      4.499122
  H      -6.160094     12.258526      3.532638
  H      -7.127947     11.537802      2.240387
  H      -5.729472     12.580903      1.823895
  H      -7.299509     10.301973      4.287519
  H      -7.771441      8.288179      5.678031
  H      -3.985288      5.658513      6.122647
  H      -4.637546      4.376722      5.099582
  H      -3.842147      8.330913      2.638952
  H      -9.392366     -5.061711      4.600165
  H      -8.148049     -6.328008      4.356174
  H      -8.468176     -5.094676      3.094714
  H      -9.314310     -2.929929      3.498195
  H      -9.422970     -0.449951      3.291984
  H      -6.131550      2.085651      5.870488
  H      -5.354504      1.685989      4.350680
  H      -5.701637     -2.548030      5.819642
  N      -1.265011      2.810669      3.406945
  N      -0.710062      3.161482      2.187606
  H      -1.234185      3.931641      1.721393
  H      -0.675107      2.366359      1.521119
  H       0.267017      3.491541      2.295162
91
Coordinates from ORCA-job orca E -6562.621248655005
  N      -1.301099      0.712557      5.561284
  Mo     -2.240373      2.349035      4.860212
  N      -3.977282      2.112164      5.887590
  C      -3.943143      2.446887      7.304169
  C      -2.555385      2.182257      7.872879
  N      -1.509005      2.800993      6.997781
  C      -0.194641      2.128415      7.148619
  C      -0.300798      0.710692      6.596397
  C      -1.393766      4.272286      7.248110
  C      -1.420702      4.971593      5.887756
  N      -2.530096      4.395114      5.165904
  H       0.689544      0.383505      6.222361
  H      -0.568667      0.000258      7.406278
  H       0.538501      2.720973      6.584308
  H       0.108938      2.125633      8.209047
  H      -1.518292      6.063874      6.016755
  H      -0.470995      4.792894      5.348703
  H      -2.280608      4.586942      7.815341
  H      -0.504224      4.481801      7.863209
  H      -4.658583      1.832090      7.875378
  H      -4.239404      3.504924      7.464995
  H      -2.385515      1.100240      7.891350
  H      -2.451240      2.575328      8.897701
  C      -4.090011     -6.556048      3.618785
  C      -3.209150     -5.359350      3.858679
  O      -2.150733     -5.444779      4.472109
  C      -3.667424     -4.023573      3.342129
  C      -4.709032     -3.874130      2.410449
  C      -5.071814     -2.605531      1.963055
  C      -4.417149     -1.491385      2.463848
  F      -4.813131     -0.283912      2.010133
  C      -3.378748     -1.585228      3.425422
  C      -2.717985     -0.434484      4.012746
  O      -3.034482      0.753440      3.686223
  C      -1.634706     -0.580730      5.032900
  C      -3.024973     -2.888718      3.829209
  C      -6.161836     11.793357      2.517882
  C      -5.219555     10.612833      2.508097
  O      -4.207667     10.611485      1.814991
  C      -5.548335      9.431036      3.371636
  C      -6.668196      9.397661      4.220374
  C      -6.924197      8.278558      5.007307
  C      -6.049500      7.200975      4.950076
  F      -6.341767      6.118299      5.714233
  C      -4.919022      7.183541      4.116809
  C      -3.934895      6.060750      4.012973
  O      -3.266737      5.934757      2.992728
  C      -3.761262      5.106657      5.210219
  C      -4.701802      8.319705      3.326623
  C      -8.428295     -5.232727      4.145727
  C      -7.371117     -4.361300      4.781287
  O      -6.417606     -4.857308      5.375935
  C      -7.498291     -2.876056      4.649394
  C      -8.532213     -2.271574      3.911739
  C      -8.586182     -0.888689      3.780546
  C      -7.602213     -0.112783      4.381926
  F      -7.702932      1.228615      4.228489
  C      -6.551090     -0.664731      5.132965
  C      -5.419866      0.095797      5.761138
  O      -4.638697     -0.482463      6.508124
  C      -5.219239      1.577978      5.412599
  C      -6.535670     -2.062205      5.252058
  H      -3.642823     -7.436884      4.090665
  H      -5.090751     -6.369701      4.039514
  H      -4.209440     -6.742914      2.540086
  H      -5.239080     -4.745784      2.027173
  H      -5.869536     -2.461305      1.234151
  H      -0.772995     -1.097153      4.549882
  H      -1.966701     -1.267580      5.839367
  H      -2.229681     -3.044866      4.558493
  H      -6.233657     12.224489      3.528331
  H      -7.177659     11.486669      2.225681
  H      -5.793446     12.554792      1.822905
  H      -7.349980     10.246434      4.271572
  H      -7.794239      8.225861      5.662158
  H      -3.929425      5.679601      6.145094
  H      -4.608001      4.397114      5.140462
  H      -3.838205      8.338736      2.660771
  H      -9.423377     -5.003548      4.556445
  H      -8.190433     -6.285070      4.331434
  H      -8.481023     -5.053325      3.060720
  H      -9.301311     -2.877575      3.433051
  H      -9.380601     -0.396627      3.219085
  H      -6.093168      2.130515      5.815331
  H      -5.297494      1.678842      4.319318
  H      -5.727911     -2.522792      5.822188
  N      -1.277341      2.820122      3.371139
  N      -0.831148      3.244025      2.122548
  H      -1.421191      4.012504      1.738495
  H      -0.828927      2.473510      1.428070
  H       0.141000      3.598976      2.172294
91
Coordinates from ORCA-job orca E -6562.624859950464
  N      -1.276809      0.699338      5.560407
  Mo     -2.208203      2.342752      4.875470
  N      -3.951196      2.113167      5.889866
  C      -3.922860      2.441049      7.309705
  C      -2.541820      2.158003      7.887655
  N      -1.484418      2.777606      7.027593
  C      -0.173649      2.095773      7.172147
  C      -0.287660      0.683863      6.610344
  C      -1.360339      4.246830      7.286264
  C      -1.393298      4.955820      5.928724
  N      -2.512505      4.393435      5.207705
  H       0.703021      0.347439      6.246685
  H      -0.577097     -0.028559      7.411166
  H       0.560467      2.686738      6.606480
  H       0.137524      2.083700      8.230555
  H      -1.479177      6.048594      6.065414
  H      -0.445489      4.773977      5.386415
  H      -2.237800      4.565977      7.865914
  H      -0.460921      4.450465      7.889437
  H      -4.648154      1.830703      7.873011
  H      -4.208176      3.501183      7.476574
  H      -2.383062      1.073881      7.899540
  H      -2.447462      2.540747      8.917732
  C      -4.111375     -6.563940      3.595844
  C      -3.234177     -5.369343      3.864414
  O      -2.191215     -5.458246      4.503912
  C      -3.678908     -4.029001      3.344154
  C      -4.707663     -3.871370      2.399806
  C      -5.059728     -2.599231      1.950951
  C      -4.404293     -1.489385      2.462229
  F      -4.790460     -0.279853      2.008525
  C      -3.376557     -1.592783      3.433637
  C      -2.708729     -0.445879      4.026935
  O      -3.018203      0.741094      3.705120
  C      -1.626851     -0.597851      5.046608
  C      -3.035398     -2.897532      3.840325
  C      -6.173044     11.754735      2.454257
  C      -5.220848     10.581236      2.467118
  O      -4.202989     10.579042      1.782197
  C      -5.547016      9.406802      3.343609
  C      -6.674673      9.373594      4.182411
  C      -6.925722      8.261860      4.981959
  C      -6.038891      7.192194      4.947945
  F      -6.327299      6.120329      5.727221
  C      -4.900879      7.173513      4.124083
  C      -3.903463      6.058869      4.042401
  O      -3.224589      5.929822      3.029734
  C      -3.732862      5.117595      5.251013
  C      -4.689379      8.302746      3.321765
  C      -8.425231     -5.222926      4.150599
  C      -7.362847     -4.350175      4.777784
  O      -6.409796     -4.845617      5.374329
  C      -7.487708     -2.864061      4.640550
  C      -8.518524     -2.260118      3.896616
  C      -8.570371     -0.876851      3.762265
  C      -7.588274     -0.100025      4.367488
  F      -7.685293      1.240201      4.211817
  C      -6.541481     -0.650858      5.125377
  C      -5.417082      0.110902      5.763262
  O      -4.654111     -0.465402      6.530228
  C      -5.195027      1.589800      5.402928
  C      -6.527961     -2.048806      5.246120
  H      -3.675079     -7.450082      4.068850
  H      -5.118650     -6.377319      4.003173
  H      -4.211745     -6.740880      2.513063
  H      -5.238982     -4.739551      2.008431
  H      -5.849716     -2.449490      1.214054
  H      -0.772976     -1.131277      4.569406
  H      -1.969278     -1.270690      5.861153
  H      -2.250353     -3.059532      4.580387
  H      -6.255851     12.197648      3.459477
  H      -7.184253     11.435743      2.156748
  H      -5.804756     12.510700      1.752694
  H      -7.366148     10.216296      4.216157
  H      -7.801209      8.208990      5.630547
  H      -3.887486      5.706109      6.179741
  H      -4.590554      4.419049      5.197445
  H      -3.819371      8.322096      2.663309
  H      -9.419204     -4.987232      4.562168
  H      -8.190397     -6.274959      4.344057
  H      -8.478439     -5.051798      3.063603
  H      -9.286437     -2.866522      3.415055
  H      -9.362170     -0.384800      3.195932
  H      -6.065849      2.156767      5.791610
  H      -5.257495      1.680535      4.307873
  H      -5.724108     -2.508770      5.823425
  N      -1.316905      2.843008      3.355742
  N      -0.996077      3.387012      2.106836
  H      -1.654540      4.150891      1.837526
  H      -1.019399      2.666306      1.361751
  H      -0.037474      3.779452      2.111556
91
Coordinates from ORCA-job orca E -6562.629853511969
  N      -1.260096      0.691420      5.558184
  Mo     -2.188506      2.337972      4.895398
  N      -3.933456      2.113450      5.891594
  C      -3.910404      2.432582      7.318769
  C      -2.535201      2.131623      7.904541
  N      -1.468374      2.754759      7.059401
  C      -0.158158      2.067351      7.194806
  C      -0.275540      0.663351      6.618162
  C      -1.337183      4.223194      7.324359
  C      -1.372510      4.940393      5.968352
  N      -2.502315      4.391280      5.248957
  H       0.715212      0.325832      6.256341
  H      -0.579480     -0.057651      7.406010
  H       0.573688      2.660899      6.627697
  H       0.162556      2.043315      8.250370
  H      -1.446306      6.033908      6.110085
  H      -0.426056      4.753283      5.424449
  H      -2.205758      4.548070      7.914576
  H      -0.427686      4.422514      7.914796
  H      -4.644238      1.823662      7.872082
  H      -4.186013      3.493528      7.494144
  H      -2.386108      1.045523      7.907164
  H      -2.451977      2.502260      8.940608
  C      -4.125691     -6.572748      3.563267
  C      -3.249407     -5.380765      3.854400
  O      -2.217498     -5.472607      4.511965
  C      -3.683536     -4.034728      3.333902
  C      -4.702958     -3.868664      2.381307
  C      -5.049566     -2.592940      1.933745
  C      -4.393867     -1.486335      2.455947
  F      -4.774207     -0.275305      2.007470
  C      -3.373804     -1.600352      3.432260
  C      -2.700020     -0.456943      4.035072
  O      -3.004832      0.728546      3.723385
  C      -1.617614     -0.611629      5.053600
  C      -3.039289     -2.905368      3.838352
  C      -6.146849     11.728376      2.377692
  C      -5.195342     10.553851      2.415182
  O      -4.173170     10.538620      1.736180
  C      -5.526556      9.391893      3.310131
  C      -6.659602      9.371448      4.142524
  C      -6.913601      8.271906      4.958954
  C      -6.023758      7.202145      4.948190
  F      -6.316963      6.146664      5.745593
  C      -4.880800      7.169903      4.131033
  C      -3.877488      6.053088      4.071079
  O      -3.192847      5.913605      3.064723
  C      -3.713023      5.125018      5.293292
  C      -4.667980      8.287723      3.312646
  C      -8.407616     -5.236359      4.168819
  C      -7.344270     -4.354755      4.784145
  O      -6.386136     -4.841649      5.380290
  C      -7.474705     -2.867494      4.639486
  C      -8.508502     -2.269746      3.892782
  C      -8.565555     -0.886251      3.752450
  C      -7.584984     -0.103337      4.356275
  F      -7.681942      1.234460      4.197442
  C      -6.537100     -0.647997      5.117450
  C      -5.418376      0.120312      5.759156
  O      -4.667646     -0.454985      6.538192
  C      -5.180749      1.598567      5.393822
  C      -6.518958     -2.045934      5.242238
  H      -3.698902     -7.464237      4.036261
  H      -5.136542     -6.382831      3.963988
  H      -4.214256     -6.741573      2.477522
  H      -5.235101     -4.734051      1.981828
  H      -5.834904     -2.438669      1.191838
  H      -0.766939     -1.150926      4.578778
  H      -1.964479     -1.274836      5.874501
  H      -2.261043     -3.071821      4.585936
  H      -6.233638     12.187821      3.376216
  H      -7.157298     11.405079      2.078593
  H      -5.773314     12.472572      1.665519
  H      -7.353261     10.214331      4.158440
  H      -7.793111      8.228138      5.604165
  H      -3.851816      5.726633      6.217292
  H      -4.581368      4.437922      5.255041
  H      -3.793073      8.297620      2.658927
  H      -9.401312     -5.000949      4.583970
  H      -8.167495     -6.286244      4.370670
  H      -8.465030     -5.075062      3.079570
  H      -9.274936     -2.880995      3.412624
  H      -9.359272     -0.398515      3.183504
  H      -6.047570      2.174617      5.776488
  H      -5.229837      1.685829      4.297926
  H      -5.714079     -2.500983      5.823653
  N      -1.376310      2.855982      3.340796
  N      -1.207095      3.548950      2.124935
  H      -1.937352      4.287694      1.995269
  H      -1.250318      2.897436      1.319749
  H      -0.272540      3.994576      2.094832
91
Coordinates from ORCA-job orca E -6562.635398690313
  N      -1.247465      0.687070      5.554352
  Mo     -2.174646      2.335356      4.920991
  N      -3.915994      2.116398      5.893369
  C      -3.898186      2.425102      7.331537
  C      -2.528274      2.105016      7.923349
  N      -1.453918      2.731665      7.091374
  C      -0.142301      2.040533      7.215862
  C      -0.261692      0.645473      6.620140
  C      -1.316981      4.200363      7.361888
  C      -1.350299      4.925598      6.007523
  N      -2.488557      4.385906      5.289014
  H       0.728535      0.312718      6.252490
  H      -0.574034     -0.089095      7.392011
  H       0.585798      2.639271      6.648351
  H       0.187333      2.002850      8.268314
  H      -1.415250      6.019645      6.152810
  H      -0.404907      4.734002      5.463137
  H      -2.178867      4.529987      7.959458
  H      -0.399289      4.395994      7.942059
  H      -4.640312      1.815598      7.872306
  H      -4.164716      3.485734      7.516457
  H      -2.387532      1.017224      7.914834
  H      -2.455441      2.462927      8.965301
  C      -4.150766     -6.571807      3.519981
  C      -3.267103     -5.386642      3.825001
  O      -2.242307     -5.484075      4.493273
  C      -3.688342     -4.032834      3.307040
  C      -4.700980     -3.855025      2.350113
  C      -5.042772     -2.575164      1.905410
  C      -4.384003     -1.472630      2.438597
  F      -4.757831     -0.259208      2.000281
  C      -3.369966     -1.601246      3.415673
  C      -2.689532     -0.463409      4.032431
  O      -2.988410      0.721727      3.736577
  C      -1.606033     -0.621646      5.050650
  C      -3.040162     -2.906569      3.818763
  C      -6.117925     11.686123      2.280555
  C      -5.172224     10.507627      2.343276
  O      -4.151138     10.469503      1.663211
  C      -5.505795      9.364843      3.266956
  C      -6.637099      9.367189      4.102266
  C      -6.892933      8.286657      4.944523
  C      -6.004292      7.212965      4.955291
  F      -6.300088      6.179895      5.778101
  C      -4.864028      7.158020      4.136320
  C      -3.858209      6.032349      4.096393
  O      -3.177945      5.874122      3.091681
  C      -3.695645      5.121190      5.335745
  C      -4.651395      8.257518      3.293451
  C      -8.385751     -5.254297      4.199398
  C      -7.323630     -4.360476      4.800134
  O      -6.359180     -4.833520      5.397535
  C      -7.462356     -2.871557      4.646174
  C      -8.501334     -2.282473      3.898173
  C      -8.566663     -0.899117      3.748376
  C      -7.586054     -0.108352      4.347476
  F      -7.681678      1.226421      4.184271
  C      -6.535133     -0.645534      5.110433
  C      -5.418488      0.131429      5.751068
  O      -4.675784     -0.445299      6.535458
  C      -5.168955      1.610100      5.386685
  C      -6.510247     -2.042515      5.242464
  H      -3.735433     -7.469421      3.993059
  H      -5.161600     -6.371412      3.919784
  H      -4.235653     -6.735877      2.432684
  H      -5.236247     -4.716516      1.943114
  H      -5.825475     -2.415241      1.161038
  H      -0.754112     -1.156574      4.574576
  H      -1.952829     -1.280569      5.874659
  H      -2.266370     -3.077988      4.571026
  H      -6.198796     12.169369      3.269410
  H      -7.131482     11.361382      1.989978
  H      -5.741061     12.411363      1.549924
  H      -7.328935     10.213283      4.100990
  H      -7.771034      8.259448      5.593755
  H      -3.819549      5.732446      6.256087
  H      -4.570713      4.441661      5.312065
  H      -3.776932      8.249719      2.637367
  H      -9.379657     -5.021263      4.618233
  H      -8.136932     -6.300729      4.411854
  H      -8.448386     -5.105226      3.107786
  H      -9.266562     -2.900618      3.422295
  H      -9.363829     -0.417799      3.177410
  H      -6.030488      2.191968      5.770084
  H      -5.206506      1.700340      4.290747
  H      -5.702136     -2.490846      5.826156
  N      -1.429863      2.863367      3.339062
  N      -1.413948      3.722361      2.205814
  H      -2.198399      4.421244      2.230950
  H      -1.474792      3.168306      1.331953
  H      -0.506010      4.219458      2.166121
91
Coordinates from ORCA-job orca E -6562.639797867087
  N      -1.216684      0.665874      5.555814
  Mo     -2.121148      2.317813      4.919733
  N      -3.871811      2.136562      5.850927
  C      -3.875705      2.456817      7.292407
  C      -2.523662      2.113539      7.912124
  N      -1.425085      2.718520      7.098279
  C      -0.123696      2.009713      7.241054
  C      -0.252966      0.614915      6.646742
  C      -1.268727      4.187692      7.356875
  C      -1.281508      4.904392      5.996638
  N      -2.421874      4.370082      5.276162
  H       0.739169      0.267969      6.298659
  H      -0.596699     -0.115198      7.408877
  H       0.616074      2.596128      6.675578
  H       0.197627      1.971838      8.295888
  H      -1.334516      6.000264      6.133678
  H      -0.334791      4.698058      5.460804
  H      -2.127058      4.535500      7.948791
  H      -0.348513      4.376820      7.935538
  H      -4.640184      1.863777      7.819229
  H      -4.124276      3.522805      7.465172
  H      -2.401423      1.023313      7.909700
  H      -2.469216      2.473431      8.954778
  C      -4.201972     -6.580654      3.560188
  C      -3.305596     -5.406391      3.872270
  O      -2.299157     -5.509051      4.566359
  C      -3.693166     -4.050971      3.329649
  C      -4.685217     -3.867318      2.353506
  C      -5.003746     -2.588394      1.887905
  C      -4.338640     -1.488192      2.421845
  F      -4.689490     -0.274595      1.970934
  C      -3.343325     -1.624699      3.413610
  C      -2.655459     -0.489651      4.034329
  O      -2.934812      0.694519      3.733029
  C      -1.586253     -0.649499      5.068712
  C      -3.036130     -2.927326      3.838338
  C      -6.235812     11.611242      2.272947
  C      -5.272627     10.447036      2.318393
  O      -4.274036     10.411988      1.606214
  C      -5.558729      9.309815      3.267424
  C      -6.662593      9.305645      4.138591
  C      -6.875434      8.232412      5.002257
  C      -5.969215      7.172108      4.997244
  F      -6.222242      6.146827      5.842420
  C      -4.856099      7.124486      4.142525
  C      -3.832445      6.010120      4.083074
  O      -3.179390      5.861489      3.059274
  C      -3.630021      5.106851      5.325939
  C      -4.687442      8.216336      3.280398
  C      -8.426274     -5.194463      4.200852
  C      -7.358771     -4.304012      4.795687
  O      -6.403274     -4.775976      5.407340
  C      -7.476570     -2.814246      4.616965
  C      -8.498179     -2.223340      3.846828
  C      -8.544857     -0.841692      3.672904
  C      -7.560267     -0.054985      4.273642
  F      -7.628585      1.277606      4.089290
  C      -6.528405     -0.595453      5.060162
  C      -5.411435      0.178398      5.708390
  O      -4.696414     -0.398596      6.517250
  C      -5.127834      1.646644      5.327920
  C      -6.522424     -1.989638      5.213764
  H      -3.810824     -7.480008      4.050486
  H      -5.215252     -6.357805      3.942068
  H      -4.271133     -6.754650      2.473579
  H      -5.226412     -4.725465      1.946508
  H      -5.772723     -2.427441      1.129725
  H      -0.733697     -1.198654      4.611779
  H      -1.951928     -1.286853      5.900737
  H      -2.278533     -3.098909      4.606827
  H      -6.289766     12.105745      3.258190
  H      -7.253916     11.269581      2.019696
  H      -5.892681     12.331698      1.521180
  H      -7.367359     10.141237      4.149283
  H      -7.731249      8.199550      5.680182
  H      -3.733127      5.725458      6.243224
  H      -4.507274      4.429672      5.329641
  H      -3.833853      8.213540      2.596922
  H      -9.421033     -4.942941      4.606970
  H      -8.191037     -6.239737      4.434167
  H      -8.476517     -5.063883      3.106186
  H      -9.264952     -2.839274      3.369979
  H      -9.327362     -0.359222      3.083072
  H      -5.982587      2.250320      5.690800
  H      -5.139520      1.723622      4.230635
  H      -5.728571     -2.439329      5.815728
  N      -1.398642      2.824326      3.319874
  N      -1.472811      3.818105      2.291673
  H      -2.274219      4.487823      2.444170
  H      -1.548319      3.364933      1.363863
  H      -0.578593      4.338816      2.275152
91
Coordinates from ORCA-job orca E -6562.643480600525
  N      -1.182866      0.631460      5.568515
  Mo     -2.042536      2.287714      4.891561
  N      -3.812815      2.176040      5.761983
  C      -3.854578      2.532473      7.197205
  C      -2.533431      2.169169      7.865627
  N      -1.396498      2.726035      7.074366
  C      -0.118580      1.987287      7.269302
  C      -0.265116      0.581800      6.700882
  C      -1.207940      4.194810      7.301525
  C      -1.174545      4.882838      5.929642
  N      -2.303959      4.344524      5.199762
  H       0.730080      0.203462      6.398250
  H      -0.658307     -0.123147      7.461548
  H       0.648638      2.542325      6.709912
  H       0.173756      1.967244      8.332519
  H      -1.215577      5.981309      6.045013
  H      -0.223158      4.652620      5.415128
  H      -2.069717      4.572618      7.868336
  H      -0.295753      4.375109      7.894397
  H      -4.652658      1.971251      7.707484
  H      -4.078906      3.607638      7.334290
  H      -2.436704      1.076978      7.887366
  H      -2.502466      2.548641      8.901956
  C      -4.295296     -6.589213      3.678542
  C      -3.381982     -5.431046      3.994383
  O      -2.406971     -5.538885      4.728984
  C      -3.712884     -4.082037      3.403241
  C      -4.669342     -3.899157      2.393303
  C      -4.944538     -2.628459      1.884283
  C      -4.269647     -1.529643      2.409092
  F      -4.577630     -0.318525      1.922974
  C      -3.307227     -1.666205      3.429823
  C      -2.612123     -0.531260      4.043184
  O      -2.857132      0.651680      3.712284
  C      -1.573523     -0.689060      5.111185
  C      -3.041850     -2.962134      3.900169
  C      -6.478862     11.511535      2.383004
  C      -5.480101     10.379789      2.365155
  O      -4.525492     10.375738      1.596237
  C      -5.673301      9.231650      3.324399
  C      -6.723647      9.189578      4.257625
  C      -6.854183      8.109620      5.128235
  C      -5.916835      7.079288      5.066276
  F      -6.086259      6.043589      5.920218
  C      -4.855589      7.071885      4.148412
  C      -3.802507      5.989910      4.024422
  O      -3.202835      5.882398      2.962149
  C      -3.521174      5.081606      5.246833
  C      -4.768971      8.168726      3.281740
  C      -8.494164     -5.076168      4.181578
  C      -7.420881     -4.197025      4.777239
  O      -6.491067     -4.671316      5.423440
  C      -7.497907     -2.710175      4.557159
  C      -8.482427     -2.116607      3.744644
  C      -8.493262     -0.740515      3.531043
  C      -7.506530      0.037607      4.138403
  F      -7.531655      1.367149      3.916260
  C      -6.512529     -0.507831      4.969058
  C      -5.396009      0.258355      5.631734
  O      -4.720108     -0.313294      6.477057
  C      -5.067427      1.704090      5.219208
  C      -6.541543     -1.895128      5.160376
  H      -3.942573     -7.484687      4.202542
  H      -5.313919     -6.334530      4.019804
  H      -4.334044     -6.787657      2.595962
  H      -5.218687     -4.753943      1.992922
  H      -5.687022     -2.471746      1.100748
  H      -0.720779     -1.268918      4.695457
  H      -1.977187     -1.287238      5.953122
  H      -2.312499     -3.128182      4.694920
  H      -6.489757     12.000754      3.371016
  H      -7.498325     11.139904      2.189605
  H      -6.203276     12.243728      1.615914
  H      -7.451783     10.001592      4.311894
  H      -7.666641      8.047495      5.853751
  H      -3.603547      5.701635      6.162627
  H      -4.392948      4.399327      5.282152
  H      -3.957211      8.195272      2.550910
  H      -9.490942     -4.789665      4.554772
  H      -8.290227     -6.119024      4.449880
  H      -8.514548     -4.975550      3.083984
  H      -9.249062     -2.727405      3.263240
  H      -9.245968     -0.257243      2.906336
  H      -5.915156      2.339182      5.542647
  H      -5.043892      1.752217      4.120742
  H      -5.776813     -2.346819      5.795541
  N      -1.271243      2.726571      3.288043
  N      -1.349384      3.814793      2.352247
  H      -2.143346      4.485064      2.574069
  H      -1.409077      3.450695      1.387168
  H      -0.453994      4.328929      2.392172
91
Coordinates from ORCA-job orca E -6562.646375016089
  N      -1.158890      0.608726      5.552192
  Mo     -2.015115      2.273771      4.873519
  N      -3.794535      2.186481      5.753277
  C      -3.835737      2.539218      7.179091
  C      -2.519491      2.166981      7.849876
  N      -1.375744      2.716373      7.066659
  C      -0.110114      1.963420      7.262999
  C      -0.269191      0.557496      6.704020
  C      -1.175775      4.179764      7.295997
  C      -1.149187      4.870468      5.924504
  N      -2.279550      4.343921      5.186456
  H       0.724675      0.158747      6.428772
  H      -0.687285     -0.130053      7.466969
  H       0.662979      2.506724      6.700558
  H       0.184635      1.945290      8.325851
  H      -1.178507      5.968590      6.045294
  H      -0.199932      4.634798      5.409012
  H      -2.028622      4.562210      7.873642
  H      -0.258506      4.352197      7.881481
  H      -4.639841      1.986523      7.688897
  H      -4.050803      3.616794      7.317611
  H      -2.430885      1.074497      7.871693
  H      -2.488957      2.543160      8.886971
  C      -4.308183     -6.606633      3.703010
  C      -3.412669     -5.444193      4.046014
  O      -2.459768     -5.551512      4.808957
  C      -3.732957     -4.100291      3.443387
  C      -4.678273     -3.920677      2.421671
  C      -4.941286     -2.652564      1.905306
  C      -4.267014     -1.555792      2.427601
  F      -4.566195     -0.344378      1.928072
  C      -3.310440     -1.687598      3.458932
  C      -2.612266     -0.550197      4.057642
  O      -2.859283      0.629694      3.714724
  C      -1.573392     -0.709926      5.121798
  C      -3.061051     -2.983320      3.940635
  C      -6.557744     11.456903      2.385711
  C      -5.539727     10.342193      2.360862
  O      -4.593492     10.353454      1.581850
  C      -5.706311      9.198160      3.325274
  C      -6.748470      9.142584      4.266894
  C      -6.851941      8.065718      5.143123
  C      -5.899742      7.052615      5.082080
  F      -6.043758      6.020532      5.947254
  C      -4.844634      7.057855      4.153735
  C      -3.780854      6.002329      4.025536
  O      -3.184112      5.900162      2.956449
  C      -3.481538      5.105523      5.234292
  C      -4.783491      8.151538      3.279551
  C      -8.509650     -5.016946      4.141181
  C      -7.425753     -4.154367      4.742235
  O      -6.506444     -4.646963      5.390217
  C      -7.487935     -2.669351      4.525871
  C      -8.459716     -2.066652      3.705894
  C      -8.456963     -0.690542      3.498911
  C      -7.474913      0.079650      4.116913
  F      -7.496425      1.412122      3.894634
  C      -6.493148     -0.472258      4.956540
  C      -5.387473      0.286254      5.636024
  O      -4.729401     -0.275790      6.503769
  C      -5.045821      1.723367      5.206267
  C      -6.531781     -1.861150      5.142251
  H      -3.960624     -7.502074      4.229410
  H      -5.336453     -6.364525      4.020443
  H      -4.318950     -6.797613      2.618838
  H      -5.226943     -4.774581      2.021165
  H      -5.675314     -2.496453      1.114202
  H      -0.736063     -1.318974      4.718396
  H      -1.989504     -1.285851      5.974474
  H      -2.341571     -3.150249      4.743483
  H      -6.567931     11.947500      3.372153
  H      -7.571516     11.066654      2.203798
  H      -6.303556     12.192376      1.615021
  H      -7.489532      9.941274      4.322116
  H      -7.657267      7.994640      5.875281
  H      -3.545411      5.747649      6.136872
  H      -4.361924      4.436496      5.292719
  H      -3.979526      8.189902      2.542295
  H      -9.502428     -4.714600      4.509813
  H      -8.324529     -6.063220      4.407839
  H      -8.523874     -4.914342      3.044239
  H      -9.225211     -2.669852      3.215486
  H      -9.200373     -0.200726      2.868852
  H      -5.892453      2.372170      5.508282
  H      -5.015041      1.751391      4.107338
  H      -5.778277     -2.319266      5.785150
  N      -1.268564      2.738324      3.248169
  N      -1.358671      3.878765      2.372229
  H      -2.146319      4.540976      2.646673
  H      -1.449964      3.558351      1.396250
  H      -0.466717      4.395469      2.426718
91
Coordinates from ORCA-job orca E -6562.649380123719
  N      -1.148136      0.611279      5.543215
  Mo     -2.032223      2.282166      4.878915
  N      -3.811748      2.178476      5.781967
  C      -3.832878      2.522243      7.204825
  C      -2.499675      2.168166      7.851531
  N      -1.366475      2.724726      7.054536
  C      -0.101390      1.970880      7.242665
  C      -0.262062      0.563904      6.690019
  C      -1.162757      4.186313      7.285930
  C      -1.140192      4.881834      5.920209
  N      -2.263777      4.350370      5.176131
  H       0.732750      0.165329      6.416821
  H      -0.669349     -0.117660      7.463688
  H       0.669154      2.515331      6.678752
  H       0.194856      1.956209      8.305273
  H      -1.174508      5.978547      6.045401
  H      -0.194345      4.648059      5.399805
  H      -2.014162      4.563314      7.869814
  H      -0.247106      4.349574      7.874423
  H      -4.623252      1.959483      7.724377
  H      -4.057744      3.597194      7.349775
  H      -2.396673      1.077314      7.866520
  H      -2.447203      2.540593      8.888541
  C      -4.271773     -6.597707      3.710426
  C      -3.383179     -5.429913      4.042929
  O      -2.422913     -5.537493      4.796850
  C      -3.717095     -4.090024      3.446665
  C      -4.677141     -3.915386      2.436393
  C      -4.952463     -2.649527      1.928249
  C      -4.280686     -1.551169      2.442861
  F      -4.592392     -0.338278      1.947327
  C      -3.307022     -1.674393      3.464081
  C      -2.616795     -0.533839      4.051241
  O      -2.879768      0.650825      3.707066
  C      -1.566194     -0.698315      5.103962
  C      -3.045592     -2.973666      3.938748
  C      -6.584495     11.363836      2.321195
  C      -5.568988     10.247878      2.308156
  O      -4.638551     10.237015      1.510736
  C      -5.719177      9.134545      3.306164
  C      -6.742922      9.108227      4.268106
  C      -6.833738      8.058660      5.176378
  C      -5.887856      7.042818      5.128037
  F      -6.019582      6.033494      6.024821
  C      -4.848716      7.020236      4.180046
  C      -3.792940      5.968642      4.058231
  O      -3.207675      5.830844      2.980994
  C      -3.472595      5.102817      5.254099
  C      -4.798191      8.086072      3.270482
  C      -8.575251     -4.965908      4.076873
  C      -7.477692     -4.132789      4.691562
  O      -6.563417     -4.654303      5.323722
  C      -7.520397     -2.646644      4.503265
  C      -8.488294     -2.017833      3.701922
  C      -8.470702     -0.639294      3.521100
  C      -7.478975      0.107005      4.145061
  F      -7.494128      1.446570      3.942108
  C      -6.497609     -0.470583      4.966981
  C      -5.380652      0.263929      5.652900
  O      -4.703266     -0.316633      6.494235
  C      -5.063879      1.710064      5.250568
  C      -6.547929     -1.861969      5.128912
  H      -3.907560     -7.489596      4.230368
  H      -5.301264     -6.374716      4.031629
  H      -4.291836     -6.786952      2.626528
  H      -5.222889     -4.771844      2.040803
  H      -5.695161     -2.495685      1.145475
  H      -0.730721     -1.304673      4.692397
  H      -1.977150     -1.283650      5.952975
  H      -2.314137     -3.139253      4.729713
  H      -6.578499     11.882081      3.292283
  H      -7.601550     10.971443      2.171108
  H      -6.345123     12.077283      1.526235
  H      -7.479299      9.910156      4.312739
  H      -7.625745      8.011772      5.923833
  H      -3.528405      5.754824      6.149200
  H      -4.343011      4.423431      5.326614
  H      -4.009811      8.102665      2.517980
  H      -9.561571     -4.655224      4.452515
  H      -8.407358     -6.020210      4.319632
  H      -8.593231     -4.839752      2.983273
  H      -9.263346     -2.603232      3.207552
  H      -9.212421     -0.130699      2.905364
  H      -5.916898      2.342217      5.573584
  H      -5.055468      1.760089      4.151955
  H      -5.796211     -2.340799      5.756864
  N      -1.235140      2.762316      3.259954
  N      -1.299099      3.937711      2.427406
  H      -2.068827      4.632757      2.695901
  H      -1.388542      3.655152      1.440415
  H      -0.403102      4.446192      2.503232
91
Coordinates from ORCA-job orca E -6562.651351487295
  N      -1.122644      0.594534      5.539718
  Mo     -2.009984      2.271566      4.874584
  N      -3.797868      2.194031      5.788565
  C      -3.807922      2.546306      7.207564
  C      -2.475519      2.183817      7.848741
  N      -1.339526      2.724153      7.042296
  C      -0.081307      1.958763      7.237882
  C      -0.258937      0.547668      6.702173
  C      -1.124463      4.185342      7.265785
  C      -1.090959      4.873531      5.897404
  N      -2.212552      4.350281      5.141603
  H       0.734573      0.127776      6.453703
  H      -0.686754     -0.115342      7.482053
  H       0.696772      2.488990      6.669962
  H       0.212625      1.953595      8.301614
  H      -1.119708      5.970883      6.019210
  H      -0.142539      4.631312      5.383914
  H      -1.974662      4.570666      7.846840
  H      -0.209756      4.341456      7.858836
  H      -4.600337      1.994745      7.736834
  H      -4.022026      3.625215      7.349325
  H      -2.380717      1.092071      7.870016
  H      -2.410389      2.562164      8.883261
  C      -4.292502     -6.602484      3.727025
  C      -3.409926     -5.432611      4.069094
  O      -2.457665     -5.540414      4.834523
  C      -3.733459     -4.093959      3.464162
  C      -4.691309     -3.919738      2.451021
  C      -4.958218     -2.654126      1.936835
  C      -4.280876     -1.557233      2.447768
  F      -4.585619     -0.346313      1.945294
  C      -3.308287     -1.679258      3.471470
  C      -2.612482     -0.540910      4.054212
  O      -2.872626      0.643682      3.705857
  C      -1.563166     -0.709323      5.106162
  C      -3.055982     -2.979088      3.951488
  C      -6.677903     11.292770      2.307535
  C      -5.643220     10.194137      2.291122
  O      -4.721867     10.194184      1.482288
  C      -5.760783      9.084778      3.298682
  C      -6.772822      9.045278      4.272388
  C      -6.833465      8.000012      5.189183
  C      -5.868791      7.001964      5.136493
  F      -5.969284      5.996058      6.040356
  C      -4.840355      6.992524      4.177210
  C      -3.766017      5.963209      4.052771
  O      -3.181053      5.843069      2.971033
  C      -3.423938      5.098071      5.245059
  C      -4.819751      8.053080      3.259060
  C      -8.596231     -4.919368      4.035456
  C      -7.498509     -4.092069      4.659113
  O      -6.588260     -4.620954      5.292174
  C      -7.532696     -2.604818      4.475893
  C      -8.491982     -1.968849      3.669709
  C      -8.466698     -0.589171      3.493788
  C      -7.475383      0.150202      4.127224
  F      -7.485350      1.489867      3.926691
  C      -6.501444     -0.434063      4.953482
  C      -5.382247      0.290265      5.650317
  O      -4.704629     -0.304915      6.480085
  C      -5.054648      1.737437      5.258568
  C      -6.560099     -1.826102      5.111045
  H      -3.928958     -7.494428      4.248159
  H      -5.328243     -6.386426      4.036361
  H      -4.302282     -6.790062      2.641787
  H      -5.240794     -4.776274      2.059061
  H      -5.698639     -2.498627      1.151402
  H      -0.738509     -1.334637      4.700194
  H      -1.985466     -1.284460      5.957396
  H      -2.325549     -3.146149      4.744007
  H      -6.672244     11.818396      3.275462
  H      -7.690656     10.882336      2.171742
  H      -6.459754     12.005228      1.505105
  H      -7.523932      9.834361      4.319703
  H      -7.616302      7.943444      5.946343
  H      -3.471537      5.745422      6.144372
  H      -4.290674      4.411476      5.330592
  H      -4.040165      8.080138      2.497126
  H      -9.584706     -4.604579      4.404233
  H      -8.435215     -5.975453      4.276512
  H      -8.608039     -4.790969      2.941312
  H      -9.266625     -2.549955      3.168217
  H      -9.202224     -0.075077      2.874195
  H      -5.904321      2.373072      5.583995
  H      -5.050887      1.794958      4.159978
  H      -5.814466     -2.311026      5.742497
  N      -1.208209      2.753256      3.274426
  N      -1.268221      3.975856      2.519183
  H      -2.022477      4.671507      2.845629
  H      -1.385643      3.755072      1.518785
  H      -0.364020      4.470514      2.602812
91
Coordinates from ORCA-job orca E -6562.652952242299
  N      -1.100184      0.596083      5.533729
  Mo     -2.012638      2.264415      4.869043
  N      -3.804345      2.191025      5.793248
  C      -3.806032      2.547870      7.210255
  C      -2.469237      2.190331      7.842893
  N      -1.338665      2.727204      7.024300
  C      -0.078438      1.966538      7.231077
  C      -0.253618      0.552318      6.705663
  C      -1.123744      4.188262      7.244736
  C      -1.069153      4.868438      5.874871
  N      -2.181109      4.348919      5.101441
  H       0.742546      0.126588      6.475686
  H      -0.690797     -0.103586      7.487007
  H       0.703077      2.493954      6.665565
  H       0.207040      1.969748      8.296931
  H      -1.100141      5.966114      5.990885
  H      -0.113972      4.621929      5.375838
  H      -1.980777      4.577051      7.812715
  H      -0.217411      4.343625      7.851355
  H      -4.592695      1.996079      7.749209
  H      -4.022332      3.627107      7.353007
  H      -2.372998      1.098781      7.867253
  H      -2.392707      2.573206      8.874895
  C      -4.264502     -6.605482      3.776994
  C      -3.375872     -5.432017      4.090745
  O      -2.416244     -5.531228      4.848026
  C      -3.704750     -4.099848      3.474697
  C      -4.674277     -3.934958      2.471439
  C      -4.946626     -2.672102      1.951857
  C      -4.265683     -1.570781      2.449796
  F      -4.580317     -0.364692      1.943919
  C      -3.282590     -1.683400      3.463450
  C      -2.591408     -0.540259      4.042201
  O      -2.865761      0.641319      3.699018
  C      -1.539182     -0.704559      5.090967
  C      -3.023386     -2.980441      3.945620
  C      -6.739001     11.270703      2.328683
  C      -5.690738     10.185455      2.302711
  O      -4.774253     10.200541      1.488520
  C      -5.788434      9.070508      3.305879
  C      -6.794629      9.012660      4.284686
  C      -6.835654      7.961452      5.196400
  C      -5.858270      6.976489      5.132694
  F      -5.939030      5.962714      6.028437
  C      -4.834849      6.985583      4.169522
  C      -3.749515      5.971788      4.042816
  O      -3.153435      5.874961      2.963363
  C      -3.400963      5.088474      5.231617
  C      -4.833789      8.051607      3.256831
  C      -8.671064     -4.879235      4.009283
  C      -7.562859     -4.065929      4.633411
  O      -6.655662     -4.607405      5.259709
  C      -7.580645     -2.578405      4.457221
  C      -8.533269     -1.927690      3.654196
  C      -8.488210     -0.548069      3.482294
  C      -7.485207      0.175811      4.116466
  F      -7.477617      1.515164      3.918568
  C      -6.517777     -0.423174      4.939707
  C      -5.384417      0.283213      5.632502
  O      -4.704422     -0.324740      6.449845
  C      -5.061980      1.737881      5.265203
  C      -6.597426     -1.814486      5.093180
  H      -3.892816     -7.491117      4.302699
  H      -5.296296     -6.387146      4.096882
  H      -4.289922     -6.806264      2.694451
  H      -5.226166     -4.795191      2.091953
  H      -5.694663     -2.521242      1.173187
  H      -0.713620     -1.327161      4.682422
  H      -1.961425     -1.286715      5.937389
  H      -2.284509     -3.141631      4.731338
  H      -6.736249     11.791900      3.298872
  H      -7.746979     10.847959      2.195752
  H      -6.533992     11.989552      1.528717
  H      -7.555725      9.791471      4.340484
  H      -7.613518      7.890607      5.957018
  H      -3.448093      5.715251      6.144204
  H      -4.260931      4.390772      5.313063
  H      -4.058025      8.093223      2.491718
  H      -9.655347     -4.554734      4.380741
  H      -8.521493     -5.937787      4.245903
  H      -8.684266     -4.746886      2.915845
  H      -9.315976     -2.496950      3.152080
  H      -9.216590     -0.022344      2.864506
  H      -5.912988      2.364505      5.603110
  H      -5.067538      1.813146      4.167428
  H      -5.856316     -2.311903      5.719993
  N      -1.161377      2.737001      3.286216
  N      -1.179248      3.960365      2.551022
  H      -1.930722      4.660093      2.878497
  H      -1.296783      3.756789      1.547638
  H      -0.269286      4.440270      2.646912
91
Coordinates from ORCA-job orca E -6562.654050713985
  N      -1.110068      0.605558      5.523888
  Mo     -2.050203      2.263358      4.876213
  N      -3.837219      2.186640      5.818742
  C      -3.827416      2.543939      7.235833
  C      -2.484274      2.186273      7.854659
  N      -1.363263      2.724274      7.021650
  C      -0.097292      1.969968      7.225388
  C      -0.269453      0.556603      6.699556
  C      -1.147369      4.186183      7.243487
  C      -1.077886      4.861470      5.872340
  N      -2.193519      4.355537      5.093347
  H       0.727184      0.128768      6.475583
  H      -0.713392     -0.100846      7.475930
  H       0.680573      2.499912      6.657475
  H       0.190834      1.973625      8.290295
  H      -1.100599      5.960061      5.982921
  H      -0.121343      4.604224      5.381620
  H      -2.006257      4.580734      7.804008
  H      -0.244006      4.341638      7.854743
  H      -4.606229      1.989406      7.784437
  H      -4.045895      3.621970      7.385015
  H      -2.390127      1.094430      7.877454
  H      -2.396192      2.568941      8.885790
  C      -4.239196     -6.611968      3.732225
  C      -3.358363     -5.433052      4.051749
  O      -2.391891     -5.529424      4.800416
  C      -3.700758     -4.098895      3.445527
  C      -4.682313     -3.933225      2.454772
  C      -4.966350     -2.667385      1.946477
  C      -4.285560     -1.565238      2.445660
  F      -4.611798     -0.359301      1.949220
  C      -3.292811     -1.679494      3.447205
  C      -2.606221     -0.533599      4.033554
  O      -2.898933      0.645229      3.709190
  C      -1.543022     -0.695309      5.070715
  C      -3.020705     -2.977363      3.915531
  C      -6.695282     11.304543      2.292311
  C      -5.654290     10.211840      2.275359
  O      -4.737635     10.213994      1.461242
  C      -5.759861      9.105641      3.287975
  C      -6.768020      9.061491      4.266098
  C      -6.814983      8.016656      5.185040
  C      -5.843049      7.025063      5.128998
  F      -5.931850      6.019043      6.031235
  C      -4.817130      7.019929      4.168032
  C      -3.739039      5.995089      4.056575
  O      -3.123177      5.891986      2.990849
  C      -3.412476      5.095485      5.249165
  C      -4.810980      8.081129      3.249721
  C      -8.629697     -4.930375      4.028530
  C      -7.529296     -4.101254      4.646948
  O      -6.609124     -4.629627      5.265292
  C      -7.572479     -2.613195      4.478534
  C      -8.539318     -1.972243      3.682737
  C      -8.512958     -0.591133      3.518186
  C      -7.515986      0.144359      4.151429
  F      -7.528106      1.483496      3.961787
  C      -6.535709     -0.444971      4.967060
  C      -5.405413      0.270233      5.653946
  O      -4.702991     -0.341133      6.448909
  C      -5.097661      1.732552      5.298227
  C      -6.598446     -1.838071      5.112154
  H      -3.856464     -7.499896      4.245978
  H      -5.269892     -6.403996      4.062707
  H      -4.270558     -6.801747      2.647932
  H      -5.233679     -4.794029      2.075676
  H      -5.722814     -2.514401      1.176561
  H      -0.716494     -1.308145      4.649960
  H      -1.955139     -1.289223      5.913975
  H      -2.271902     -3.140257      4.691597
  H      -6.688712     11.832668      3.258832
  H      -7.705607     10.886649      2.161139
  H      -6.485038     12.015953      1.487058
  H      -7.525133      9.844724      4.316280
  H      -7.594173      7.956096      5.945264
  H      -3.452874      5.706915      6.171292
  H      -4.273909      4.401259      5.324151
  H      -4.032721      8.112607      2.486142
  H      -9.616225     -4.621325      4.407490
  H      -8.462282     -5.986809      4.262659
  H      -8.650985     -4.796758      2.935356
  H      -9.316772     -2.549437      3.181401
  H      -9.251155     -0.071975      2.906489
  H      -5.949166      2.347851      5.653387
  H      -5.116746      1.819538      4.201195
  H      -5.846268     -2.328702      5.731601
  N      -1.183273      2.734775      3.291868
  N      -1.179721      3.957605      2.566036
  H      -1.899838      4.663636      2.936649
  H      -1.346618      3.770138      1.565986
  H      -0.252459      4.407378      2.630499
91
Coordinates from ORCA-job orca E -6562.654858042615
  N      -1.105715      0.606540      5.511537
  Mo     -2.060561      2.255221      4.867372
  N      -3.850666      2.187156      5.812307
  C      -3.844769      2.548573      7.226287
  C      -2.503140      2.189354      7.846935
  N      -1.382256      2.722871      7.010725
  C      -0.115211      1.971393      7.222675
  C      -0.284907      0.556334      6.701837
  C      -1.166378      4.185674      7.230324
  C      -1.074815      4.852732      5.857337
  N      -2.188591      4.359346      5.067361
  H       0.711881      0.120525      6.497115
  H      -0.747866     -0.094969      7.471826
  H       0.663372      2.498790      6.653771
  H       0.169536      1.980591      8.288262
  H      -1.085828      5.952472      5.961272
  H      -0.116278      4.582262      5.379288
  H      -2.031180      4.585722      7.777301
  H      -0.270592      4.343042      7.851696
  H      -4.624436      1.995869      7.775853
  H      -4.064061      3.626219      7.373965
  H      -2.412953      1.097362      7.872504
  H      -2.413883      2.574694      8.876777
  C      -4.216943     -6.624271      3.730145
  C      -3.338978     -5.443540      4.049823
  O      -2.379572     -5.533697      4.807556
  C      -3.683488     -4.111635      3.439492
  C      -4.664900     -3.949279      2.448247
  C      -4.952096     -2.685146      1.938133
  C      -4.274426     -1.580256      2.435976
  F      -4.602871     -0.375850      1.936325
  C      -3.282898     -1.691903      3.437910
  C      -2.603034     -0.541181      4.027383
  O      -2.908982      0.635020      3.711247
  C      -1.535683     -0.697069      5.060215
  C      -3.006698     -2.987476      3.907946
  C      -6.698774     11.326248      2.307132
  C      -5.652535     10.238810      2.284815
  O      -4.735731     10.248980      1.471298
  C      -5.753959      9.128036      3.292470
  C      -6.764781      9.073836      4.267804
  C      -6.807782      8.024774      5.181592
  C      -5.830200      7.038993      5.123435
  F      -5.915872      6.029978      6.022877
  C      -4.800692      7.044169      4.165166
  C      -3.717814      6.024292      4.054335
  O      -3.077858      5.941817      3.003423
  C      -3.407392      5.100966      5.234476
  C      -4.799050      8.110249      3.253336
  C      -8.647177     -4.936432      4.055354
  C      -7.538918     -4.109051      4.661294
  O      -6.609945     -4.638585      5.264960
  C      -7.581119     -2.621375      4.489601
  C      -8.553028     -1.980929      3.698939
  C      -8.525495     -0.600627      3.531354
  C      -7.523738      0.135447      4.156512
  F      -7.534671      1.474403      3.965848
  C      -6.538258     -0.453378      4.965899
  C      -5.404098      0.263993      5.641690
  O      -4.697448     -0.342449      6.437390
  C      -5.107680      1.730176      5.289361
  C      -6.601886     -1.846184      5.113220
  H      -3.834238     -7.510905      4.245900
  H      -5.247276     -6.415674      4.060143
  H      -4.246259     -6.814947      2.646283
  H      -5.214496     -4.811483      2.070222
  H      -5.708592     -2.534817      1.167927
  H      -0.708898     -1.309537      4.640067
  H      -1.945866     -1.290444      5.904876
  H      -2.258638     -3.147980      4.685166
  H      -6.695084     11.848179      3.276733
  H      -7.706323     10.903594      2.172064
  H      -6.491192     12.043226      1.506296
  H      -7.526662      9.851857      4.320052
  H      -7.588227      7.956859      5.939747
  H      -3.447099      5.697852      6.165287
  H      -4.271220      4.412147      5.296590
  H      -4.017987      8.149827      2.492936
  H      -9.628643     -4.624356      4.443807
  H      -8.479386     -5.992649      4.289936
  H      -8.678131     -4.804767      2.962333
  H      -9.334976     -2.557723      3.204588
  H      -9.267031     -0.081372      2.923980
  H      -5.963635      2.338642      5.646471
  H      -5.127447      1.819025      4.192459
  H      -5.845945     -2.336176      5.728451
  N      -1.185481      2.720319      3.284569
  N      -1.160064      3.956126      2.583453
  H      -1.850415      4.662485      3.002301
  H      -1.369595      3.802935      1.585404
  H      -0.218324      4.377370      2.627766
91
Coordinates from ORCA-job orca E -6562.655582393646
  N      -1.125057      0.606895      5.505802
  Mo     -2.085985      2.245580      4.859279
  N      -3.875773      2.197185      5.800329
  C      -3.875344      2.566716      7.211822
  C      -2.535945      2.205228      7.837951
  N      -1.413480      2.726995      6.997682
  C      -0.147632      1.975746      7.219992
  C      -0.317773      0.558184      6.707231
  C      -1.194888      4.191151      7.207551
  C      -1.076424      4.843629      5.830841
  N      -2.187420      4.361377      5.029060
  H       0.677773      0.115531      6.515044
  H      -0.795661     -0.086048      7.473289
  H       0.632283      2.497649      6.648256
  H       0.133263      1.992966      8.286242
  H      -1.070650      5.944707      5.923939
  H      -0.117680      4.554073      5.366586
  H      -2.067296      4.599983      7.735327
  H      -0.309063      4.350965      7.842064
  H      -4.658599      2.018123      7.760224
  H      -4.094229      3.644652      7.352285
  H      -2.451816      1.113040      7.870125
  H      -2.445492      2.597126      8.864983
  C      -4.205070     -6.643872      3.721119
  C      -3.337543     -5.459891      4.054920
  O      -2.380008     -5.547468      4.814559
  C      -3.685195     -4.128843      3.444512
  C      -4.667744     -3.968538      2.454102
  C      -4.959885     -2.707099      1.942567
  C      -4.284339     -1.599645      2.437383
  F      -4.612861     -0.395983      1.934970
  C      -3.292630     -1.709714      3.438490
  C      -2.618417     -0.554336      4.028165
  O      -2.935483      0.620804      3.717830
  C      -1.546592     -0.702306      5.058108
  C      -3.010898     -3.002687      3.911816
  C      -6.678857     11.378246      2.345195
  C      -5.632683     10.291400      2.308812
  O      -4.719264     10.307792      1.492103
  C      -5.731165      9.172301      3.307536
  C      -6.740858      9.109522      4.283803
  C      -6.782932      8.053408      5.188781
  C      -5.805411      7.068288      5.120722
  F      -5.891031      6.052285      6.013531
  C      -4.776274      7.083216      4.161514
  C      -3.692613      6.063175      4.039688
  O      -3.037594      6.001302      2.999330
  C      -3.403863      5.109718      5.199056
  C      -4.775992      8.156308      3.259337
  C      -8.599561     -4.973438      4.078580
  C      -7.495141     -4.133102      4.671879
  O      -6.560013     -4.648899      5.277615
  C      -7.556432     -2.645855      4.496805
  C      -8.537753     -2.019408      3.706959
  C      -8.529110     -0.639642      3.536076
  C      -7.536544      0.111135      4.157745
  F      -7.565083      1.450191      3.965738
  C      -6.542277     -0.464163      4.966705
  C      -5.416179      0.268613      5.638451
  O      -4.694075     -0.331518      6.426061
  C      -5.132600      1.735800      5.280768
  C      -6.586530     -1.857201      5.116729
  H      -3.819497     -7.531770      4.232458
  H      -5.237368     -6.442820      4.048934
  H      -4.228328     -6.826079      2.635999
  H      -5.215914     -4.831897      2.076888
  H      -5.717300     -2.560414      1.172649
  H      -0.715713     -1.309470      4.639426
  H      -1.951925     -1.294544      5.905671
  H      -2.261871     -3.160357      4.688447
  H      -6.671411     11.890393      3.319663
  H      -7.686334     10.956495      2.209002
  H      -6.473730     12.102658      1.550519
  H      -7.503064      9.886269      4.343796
  H      -7.562027      7.979199      5.947574
  H      -3.443320      5.690975      6.139528
  H      -4.273473      4.430177      5.241507
  H      -3.995101      8.201881      2.499117
  H      -9.581226     -4.665663      4.468996
  H      -8.421890     -6.026126      4.321600
  H      -8.635317     -4.851163      2.984850
  H      -9.313269     -2.606954      3.215484
  H      -9.278272     -0.131166      2.929089
  H      -5.990515      2.339144      5.641714
  H      -5.155477      1.823030      4.183857
  H      -5.822870     -2.335695      5.731274
  N      -1.200469      2.683192      3.271147
  N      -1.157040      3.929196      2.582908
  H      -1.811148      4.639969      3.048180
  H      -1.408961      3.806783      1.590337
  H      -0.200681      4.318668      2.599532
91
Coordinates from ORCA-job orca E -6562.656272556529
  N      -1.126606      0.606321      5.498454
  Mo     -2.092960      2.236424      4.846964
  N      -3.884647      2.198340      5.786525
  C      -3.890660      2.577224      7.194077
  C      -2.553679      2.216901      7.827418
  N      -1.429107      2.730292      6.985440
  C      -0.163783      1.980854      7.215493
  C      -0.332677      0.561340      6.710479
  C      -1.209763      4.195758      7.187897
  C      -1.076289      4.838484      5.808815
  N      -2.187738      4.365391      5.001113
  H       0.662285      0.112704      6.531374
  H      -0.824066     -0.075047      7.474189
  H       0.616570      2.498916      6.640678
  H       0.115101      2.005642      8.282063
  H      -1.055757      5.940122      5.895295
  H      -0.118695      4.534279      5.351375
  H      -2.087564      4.608927      7.703041
  H      -0.330866      4.358255      7.831405
  H      -4.677365      2.033555      7.742471
  H      -4.109418      3.656499      7.325350
  H      -2.473807      1.124649      7.866616
  H      -2.463711      2.615537      8.851863
  C      -4.175040     -6.664672      3.742722
  C      -3.313287     -5.476087      4.074169
  O      -2.361409     -5.555071      4.841629
  C      -3.665610     -4.148824      3.457982
  C      -4.647242     -3.995378      2.465330
  C      -4.944555     -2.737747      1.948699
  C      -4.274809     -1.625639      2.439990
  F      -4.606360     -0.424755      1.932527
  C      -3.284313     -1.728847      3.443666
  C      -2.618009     -0.568517      4.031225
  O      -2.947000      0.605013      3.723841
  C      -1.541577     -0.707687      5.057066
  C      -2.996781     -3.018573      3.922855
  C      -6.673224     11.418754      2.390300
  C      -5.622041     10.336716      2.344791
  O      -4.703877     10.368558      1.533909
  C      -5.722156      9.203825      3.327344
  C      -6.740372      9.121847      4.293222
  C      -6.784676      8.053438      5.183208
  C      -5.801166      7.074814      5.110971
  F      -5.890838      6.046815      5.990659
  C      -4.762941      7.109159      4.162036
  C      -3.671213      6.097133      4.032892
  O      -2.991691      6.066732      3.007962
  C      -3.402193      5.116480      5.172898
  C      -4.760278      8.194276      3.274852
  C      -8.616890     -4.976255      4.085799
  C      -7.505386     -4.139617      4.670835
  O      -6.564778     -4.658639      5.265081
  C      -7.563225     -2.652407      4.494094
  C      -8.546787     -2.024958      3.708252
  C      -8.537184     -0.645590      3.536121
  C      -7.541855      0.104437      4.152889
  F      -7.570117      1.443758      3.960043
  C      -6.544706     -0.471589      4.957895
  C      -5.418221      0.262633      5.625804
  O      -4.693960     -0.334788      6.414160
  C      -5.139330      1.731151      5.266471
  C      -6.588895     -1.864681      5.109124
  H      -3.787272     -7.549364      4.257916
  H      -5.207846     -6.465667      4.069986
  H      -4.196555     -6.850057      2.658261
  H      -5.191823     -4.861820      2.090037
  H      -5.701681     -2.597600      1.177224
  H      -0.708346     -1.312511      4.640642
  H      -1.942757     -1.297457      5.908276
  H      -2.249342     -3.170602      4.702087
  H      -6.674155     11.916410      3.372181
  H      -7.677774     10.994680      2.240972
  H      -6.465959     12.155641      1.607699
  H      -7.507988      9.892912      4.356768
  H      -7.570110      7.964686      5.933841
  H      -3.445432      5.683701      6.122666
  H      -4.275942      4.441254      5.197305
  H      -3.972132      8.253696      2.523104
  H      -9.594597     -4.664201      4.482356
  H      -8.441437     -6.029366      4.328607
  H      -8.658809     -4.854871      2.992199
  H      -9.325412     -2.611470      3.220578
  H      -9.288258     -0.136334      2.932094
  H      -5.999231      2.332021      5.626287
  H      -5.162433      1.815853      4.169535
  H      -5.823375     -2.343115      5.721291
  N      -1.212926      2.660320      3.253080
  N      -1.157812      3.906793      2.565420
  H      -1.766220      4.623766      3.078117
  H      -1.468100      3.806996      1.587259
  H      -0.189984      4.264379      2.536611
91
Coordinates from ORCA-job orca E -6562.656976593214
  N      -1.134904      0.606775      5.494885
  Mo     -2.105136      2.227684      4.836380
  N      -3.897434      2.200124      5.767872
  C      -3.910416      2.586943      7.174270
  C      -2.574920      2.230964      7.815687
  N      -1.448187      2.737366      6.972868
  C      -0.182869      1.990984      7.211044
  C      -0.349607      0.569176      6.714456
  C      -1.229763      4.204677      7.163675
  C      -1.079275      4.834860      5.780965
  N      -2.188951      4.367036      4.964810
  H       0.645739      0.118450      6.543373
  H      -0.848220     -0.061117      7.478420
  H       0.597931      2.505910      6.633711
  H       0.093341      2.023652      8.278103
  H      -1.045362      5.936782      5.859144
  H      -0.122286      4.515723      5.331899
  H      -2.114401      4.622421      7.663301
  H      -0.359556      4.371464      7.818019
  H      -4.699741      2.045552      7.721035
  H      -4.130749      3.666993      7.296792
  H      -2.496553      1.138693      7.862276
  H      -2.486898      2.636829      8.837484
  C      -4.144545     -6.687234      3.775889
  C      -3.286188     -5.493735      4.098692
  O      -2.336376     -5.563730      4.869851
  C      -3.641793     -4.171446      3.473268
  C      -4.622497     -4.027178      2.478191
  C      -4.924992     -2.774175      1.953446
  C      -4.261446     -1.656337      2.439848
  F      -4.596396     -0.459604      1.926430
  C      -3.271813     -1.750247      3.446171
  C      -2.615003     -0.584961      4.031022
  O      -2.955958      0.586401      3.725461
  C      -1.536027     -0.712943      5.055855
  C      -2.978101     -3.036102      3.933103
  C      -6.649029     11.473449      2.444367
  C      -5.597743     10.391608      2.388346
  O      -4.675280     10.435611      1.582753
  C      -5.702912      9.243827      3.353200
  C      -6.728254      9.145675      4.309608
  C      -6.778177      8.063772      5.182945
  C      -5.792985      7.087166      5.103280
  F      -5.889516      6.046257      5.967597
  C      -4.747250      7.137821      4.164219
  C      -3.649716      6.130463      4.022848
  O      -2.952904      6.130433      3.009317
  C      -3.401166      5.120333      5.139941
  C      -4.738519      8.236260      3.293313
  C      -8.629129     -4.989813      4.094695
  C      -7.512506     -4.153168      4.670208
  O      -6.568058     -4.671878      5.258675
  C      -7.569223     -2.666059      4.489757
  C      -8.555211     -2.040117      3.706411
  C      -8.546145     -0.661110      3.529813
  C      -7.548306      0.089860      4.140652
  F      -7.576874      1.428608      3.943922
  C      -6.548353     -0.484442      4.943467
  C      -5.420251      0.252792      5.606036
  O      -4.695786     -0.340296      6.397416
  C      -5.149922      1.723434      5.247754
  C      -6.591391     -1.877154      5.099543
  H      -3.754551     -7.567176      4.297613
  H      -5.177677     -6.488539      4.103177
  H      -4.166967     -6.880482      2.692787
  H      -5.163124     -4.897837      2.106579
  H      -5.681564     -2.642662      1.179785
  H      -0.695684     -1.308702      4.641683
  H      -1.931627     -1.303786      5.908697
  H      -2.231790     -3.180195      4.714893
  H      -6.655857     11.956253      3.433751
  H      -7.652989     11.052342      2.282330
  H      -6.436797     12.222247      1.674370
  H      -7.497738      9.914666      4.378787
  H      -7.569123      7.962557      5.926277
  H      -3.449189      5.669254      6.101149
  H      -4.278500      4.448248      5.142715
  H      -3.944182      8.307032      2.549112
  H      -9.604277     -4.673737      4.494697
  H      -8.454871     -6.042393      4.340834
  H      -8.676201     -4.872994      3.000670
  H      -9.336081     -2.627620      3.223248
  H      -9.299256     -0.153249      2.927010
  H      -6.012453      2.319768      5.607693
  H      -5.173285      1.807462      4.150876
  H      -5.823500     -2.353770      5.710090
  N      -1.233661      2.636278      3.233306
  N      -1.192755      3.887259      2.549984
  H      -1.756247      4.604330      3.116339
  H      -1.567848      3.807580      1.593312
  H      -0.221145      4.223141      2.464567
91
Coordinates from ORCA-job orca E -6562.657741984584
  N      -1.139792      0.599332      5.494910
  Mo     -2.108788      2.214663      4.824187
  N      -3.902151      2.207236      5.752062
  C      -3.919400      2.607083      7.154738
  C      -2.587627      2.252196      7.804069
  N      -1.457200      2.745203      6.958714
  C      -0.194781      1.997297      7.205331
  C      -0.365528      0.571797      6.722657
  C      -1.234185      4.213843      7.133676
  C      -1.070544      4.829087      5.746616
  N      -2.181887      4.366756      4.926889
  H       0.628639      0.113564      6.563742
  H      -0.873864     -0.046044      7.490522
  H       0.588497      2.504180      6.623890
  H       0.080141      2.040436      8.272492
  H      -1.021019      5.930877      5.815388
  H      -0.116780      4.492465      5.302217
  H      -2.122632      4.638660      7.620646
  H      -0.370743      4.383553      7.796302
  H      -4.713498      2.074519      7.703260
  H      -4.134974      3.689799      7.264533
  H      -2.514638      1.159867      7.861653
  H      -2.498800      2.668068      8.821793
  C      -4.132742     -6.711378      3.813668
  C      -3.280169     -5.512906      4.133570
  O      -2.334727     -5.576215      4.911317
  C      -3.633181     -4.195626      3.496558
  C      -4.609639     -4.059572      2.496192
  C      -4.911633     -2.810110      1.962104
  C      -4.252700     -1.688483      2.445220
  F      -4.587082     -0.495705      1.924481
  C      -3.266267     -1.773550      3.457014
  C      -2.616310     -0.605582      4.037718
  O      -2.965854      0.563218      3.730025
  C      -1.535035     -0.723881      5.061503
  C      -2.972456     -3.056988      3.952045
  C      -6.645834     11.514408      2.504128
  C      -5.588763     10.438339      2.438852
  O      -4.659699     10.501974      1.641825
  C      -5.695755      9.272881      3.381719
  C      -6.730884      9.149662      4.323950
  C      -6.782325      8.051572      5.177119
  C      -5.789178      7.083512      5.091024
  F      -5.887398      6.027234      5.936676
  C      -4.733600      7.158520      4.166426
  C      -3.623418      6.164199      4.014138
  O      -2.906474      6.203366      3.014947
  C      -3.391836      5.124068      5.106933
  C      -4.722072      8.273233      3.315170
  C      -8.626448     -4.992932      4.087891
  C      -7.509418     -4.153776      4.660018
  O      -6.564210     -4.671038      5.248902
  C      -7.567033     -2.667311      4.477123
  C      -8.550813     -2.044145      3.689590
  C      -8.542929     -0.665094      3.509925
  C      -7.548152      0.087786      4.122831
  F      -7.578535      1.425663      3.921316
  C      -6.550563     -0.483254      4.930816
  C      -5.426446      0.256808      5.598403
  O      -4.704467     -0.333774      6.393115
  C      -5.153652      1.725052      5.232483
  C      -6.591628     -1.875792      5.090023
  H      -3.741457     -7.587204      4.341332
  H      -5.168535     -6.516222      4.135818
  H      -4.151420     -6.910316      2.731392
  H      -5.147573     -4.933400      2.127997
  H      -5.665020     -2.685339      1.184200
  H      -0.691409     -1.317038      4.650812
  H      -1.928052     -1.312165      5.917123
  H      -2.229654     -3.195024      4.738173
  H      -6.665381     11.980037      3.501733
  H      -7.646562     11.092192      2.324806
  H      -6.429850     12.277973      1.749774
  H      -7.507061      9.911741      4.397908
  H      -7.580530      7.931105      5.909794
  H      -3.446073      5.653453      6.079466
  H      -4.271731      4.453611      5.090529
  H      -3.919374      8.362382      2.582181
  H      -9.602187     -4.674170      4.484792
  H      -8.453543     -6.044604      4.338621
  H      -8.672934     -4.881495      2.993128
  H      -9.329013     -2.633783      3.204519
  H      -9.294390     -0.159702      2.903003
  H      -6.015631      2.325012      5.586165
  H      -5.175778      1.801681      4.135003
  H      -5.825405     -2.349898      5.704503
  N      -1.251762      2.616365      3.213587
  N      -1.223198      3.866978      2.532908
  H      -1.738585      4.583054      3.154765
  H      -1.667140      3.808228      1.604918
  H      -0.252771      4.182986      2.388116
91
Coordinates from ORCA-job orca E -6562.658560475560
  N      -1.148465      0.592366      5.499154
  Mo     -2.114935      2.202615      4.814536
  N      -3.909703      2.215850      5.732596
  C      -3.932076      2.625852      7.133847
  C      -2.604495      2.272870      7.791305
  N      -1.469548      2.754624      6.945175
  C      -0.209776      2.005228      7.202026
  C      -0.383591      0.575759      6.733020
  C      -1.242070      4.224517      7.103709
  C      -1.062274      4.824845      5.713060
  N      -2.173005      4.365900      4.887340
  H       0.609929      0.111866      6.585547
  H      -0.899111     -0.031209      7.504936
  H       0.577025      2.504521      6.618778
  H       0.062316      2.057772      8.269595
  H      -1.000541      5.926395      5.771988
  H      -0.110914      4.472673      5.275511
  H      -2.134350      4.656959      7.576913
  H      -0.386454      4.398173      7.775357
  H      -4.730580      2.099928      7.682240
  H      -4.143340      3.710166      7.233856
  H      -2.535116      1.180702      7.858693
  H      -2.516864      2.697522      8.805503
  C      -4.124829     -6.734081      3.846809
  C      -3.276182     -5.531568      4.162213
  O      -2.334111     -5.588894      4.945057
  C      -3.626864     -4.218859      3.515011
  C      -4.599558     -4.091022      2.510350
  C      -4.900712     -2.844370      1.967567
  C      -4.245856     -1.719125      2.448001
  F      -4.579427     -0.530648      1.919392
  C      -3.262849     -1.795467      3.464498
  C      -2.618991     -0.624533      4.042456
  O      -2.975771      0.540644      3.732242
  C      -1.536787     -0.733395      5.067368
  C      -2.969435     -3.076678      3.966192
  C      -6.634661     11.560069      2.563490
  C      -5.573784     10.488440      2.488939
  O      -4.638660     10.569623      1.700350
  C      -5.683329      9.306338      3.410279
  C      -6.726758      9.161079      4.339752
  C      -6.779957      8.047724      5.173136
  C      -5.780532      7.086496      5.079146
  F      -5.879486      6.015671      5.906111
  C      -4.716958      7.182540      4.167526
  C      -3.596931      6.197451      4.005333
  O      -2.863698      6.270159      3.020532
  C      -3.383326      5.126882      5.073979
  C      -4.702747      8.313078      3.335978
  C      -8.610684     -5.005897      4.091176
  C      -7.497504     -4.158024      4.658643
  O      -6.549985     -4.668171      5.250373
  C      -7.560925     -2.672977      4.468710
  C      -8.544517     -2.057453      3.675300
  C      -8.541202     -0.678712      3.488907
  C      -7.550382      0.080221      4.101668
  F      -7.585736      1.416561      3.893486
  C      -6.553555     -0.483164      4.915849
  C      -5.432893      0.262417      5.585874
  O      -4.714970     -0.323146      6.386708
  C      -5.159102      1.727638      5.211608
  C      -6.590320     -1.874884      5.081692
  H      -3.732561     -7.605782      4.380533
  H      -5.163054     -6.541468      4.163543
  H      -4.140758     -6.939790      2.765583
  H      -5.134403     -4.968187      2.145522
  H      -5.650440     -2.725918      1.185204
  H      -0.688911     -1.321740      4.658619
  H      -1.927250     -1.321968      5.923773
  H      -2.228857     -3.208649      4.755483
  H      -6.665833     12.008782      3.568711
  H      -7.632842     11.138743      2.367589
  H      -6.414175     12.337404      1.824651
  H      -7.507776      9.917863      4.419369
  H      -7.584015      7.909972      5.896366
  H      -3.446343      5.632511      6.058311
  H      -4.263501      4.458097      5.036327
  H      -3.893034      8.418826      2.613101
  H      -9.588844     -4.687674      4.482945
  H      -8.434855     -6.055176      4.349643
  H      -8.656038     -4.903192      2.995362
  H      -9.318923     -2.652638      3.190712
  H      -9.292736     -0.179491      2.877092
  H      -6.021365      2.330785      5.558002
  H      -5.178100      1.797297      4.113421
  H      -5.824592     -2.343362      5.701095
  N      -1.270381      2.595703      3.195031
  N      -1.263643      3.844113      2.518896
  H      -1.729503      4.550888      3.205559
  H      -1.777592      3.805515      1.626556
  H      -0.300667      4.145937      2.310728
91
Coordinates from ORCA-job orca E -6562.659421728348
  N      -1.151043      0.581414      5.503398
  Mo     -2.115422      2.187122      4.801815
  N      -3.912176      2.225930      5.708568
  C      -3.940048      2.646730      7.107350
  C      -2.617884      2.295107      7.773137
  N      -1.477857      2.765041      6.926646
  C      -0.220975      2.013655      7.195603
  C      -0.396847      0.578783      6.742937
  C      -1.245795      4.235724      7.067826
  C      -1.050674      4.821595      5.674330
  N      -2.159553      4.363943      4.841422
  H       0.596537      0.109799      6.610556
  H      -0.919303     -0.016312      7.519592
  H       0.570085      2.504322      6.611084
  H       0.047879      2.076639      8.263524
  H      -0.980550      5.922911      5.723339
  H      -0.101270      4.456820      5.243893
  H      -2.140441      4.675955      7.529214
  H      -0.397189      4.415152      7.746538
  H      -4.743701      2.128887      7.655570
  H      -4.145413      3.732533      7.197601
  H      -2.551386      1.203515      7.851386
  H      -2.532607      2.729144      8.783515
  C      -4.123360     -6.758992      3.895785
  C      -3.275266     -5.554302      4.203241
  O      -2.336521     -5.606218      4.990720
  C      -3.619639     -4.247986      3.540930
  C      -4.586949     -4.130167      2.530341
  C      -4.884420     -2.887165      1.975645
  C      -4.233007     -1.757952      2.451542
  F      -4.564748     -0.574674      1.910857
  C      -3.255408     -1.823888      3.473921
  C      -2.617524     -0.647709      4.047800
  O      -2.982374      0.511799      3.732453
  C      -1.534338     -0.746133      5.073818
  C      -2.964877     -3.101834      3.985081
  C      -6.634052     11.599916      2.633826
  C      -5.566748     10.536063      2.548203
  O      -4.625513     10.638695      1.769291
  C      -5.677011      9.335326      3.444434
  C      -6.728751      9.164346      4.360152
  C      -6.781463      8.034174      5.170572
  C      -5.773745      7.082465      5.066697
  F      -5.870922      5.994871      5.871778
  C      -4.702120      7.203086      4.168347
  C      -3.572104      6.228403      3.996022
  O      -2.822301      6.335679      3.028977
  C      -3.373438      5.127167      5.037715
  C      -4.688163      8.351159      3.360181
  C      -8.602169     -5.006239      4.089171
  C      -7.492340     -4.152086      4.653689
  O      -6.547862     -4.656738      5.255263
  C      -7.557229     -2.668857      4.454124
  C      -8.535832     -2.059793      3.649430
  C      -8.532210     -0.681901      3.454369
  C      -7.546041      0.081667      4.070177
  F      -7.580699      1.416399      3.853253
  C      -6.555149     -0.475208      4.895455
  C      -5.438815      0.274245      5.570972
  O      -4.728860     -0.306461      6.381328
  C      -5.158811      1.734013      5.184318
  C      -6.592563     -1.865709      5.069336
  H      -3.732423     -7.625968      4.438003
  H      -5.163492     -6.565130      4.205427
  H      -4.136687     -6.974796      2.816352
  H      -5.119328     -5.011003      2.171142
  H      -5.629075     -2.775659      1.187580
  H      -0.683868     -1.331332      4.665578
  H      -1.921937     -1.335370      5.931059
  H      -2.227925     -3.226378      4.779077
  H      -6.679255     12.028253      3.647397
  H      -7.628105     11.177826      2.419156
  H      -6.410498     12.393375      1.913359
  H      -7.515839      9.913995      4.446899
  H      -7.591081      7.876013      5.883331
  H      -3.446068      5.604748      6.034018
  H      -4.251294      4.459344      4.978701
  H      -3.871849      8.477135      2.648095
  H      -9.583187     -4.684003      4.470408
  H      -8.428204     -6.052781      4.359476
  H      -8.641350     -4.915602      2.991997
  H      -9.305820     -2.659297      3.163184
  H      -9.279839     -0.188090      2.833666
  H      -6.021061      2.343682      5.519153
  H      -5.171917      1.794231      4.085283
  H      -5.831471     -2.329935      5.697623
  N      -1.288907      2.577460      3.172720
  N      -1.307969      3.824471      2.507307
  H      -1.728689      4.505496      3.275171
  H      -1.888154      3.809288      1.655817
  H      -0.358634      4.121414      2.239074
91
Coordinates from ORCA-job orca E -6562.660338168741
  N      -1.154230      0.568480      5.505848
  Mo     -2.119322      2.170124      4.788936
  N      -3.916585      2.236970      5.686201
  C      -3.947927      2.665270      7.082564
  C      -2.629698      2.314275      7.753243
  N      -1.486585      2.774089      6.904579
  C      -0.231758      2.021357      7.184413
  C      -0.407887      0.580552      6.748402
  C      -1.250876      4.245076      7.030574
  C      -1.041411      4.819246      5.635915
  N      -2.147283      4.362771      4.793574
  H       0.586227      0.109320      6.630376
  H      -0.934204     -0.004581      7.530120
  H       0.562537      2.504158      6.598220
  H       0.034688      2.094489      8.252322
  H      -0.966132      5.920363      5.676198
  H      -0.093603      4.445071      5.212217
  H      -2.146508      4.692187      7.483042
  H      -0.407787      4.431431      7.713799
  H      -4.755475      2.153800      7.630643
  H      -4.148387      3.751828      7.166440
  H      -2.564116      1.223536      7.840858
  H      -2.545882      2.756400      8.760158
  C      -4.119699     -6.786896      3.949480
  C      -3.270782     -5.580810      4.246921
  O      -2.334821     -5.626365      5.037906
  C      -3.612571     -4.281273      3.571304
  C      -4.576945     -4.174319      2.556865
  C      -4.873428     -2.935809      1.991282
  C      -4.226000     -1.801720      2.460975
  F      -4.558452     -0.623899      1.907215
  C      -3.252224     -1.856670      3.486643
  C      -2.620000     -0.672297      4.054612
  O      -2.995694      0.480372      3.734197
  C      -1.532319     -0.760261      5.077696
  C      -2.961449     -3.130234      4.007020
  C      -6.630573     11.642760      2.707320
  C      -5.554557     10.589463      2.611404
  O      -4.604123     10.717250      1.847656
  C      -5.667164      9.368131      3.478586
  C      -6.730130      9.168682      4.376031
  C      -6.784072      8.020369      5.159989
  C      -5.767054      7.079698      5.047277
  F      -5.863860      5.973186      5.826999
  C      -4.684323      7.228196      4.166123
  C      -3.545258      6.263555      3.986960
  O      -2.776646      6.403130      3.042242
  C      -3.366699      5.129164      4.996946
  C      -4.669609      8.394883      3.385501
  C      -8.585768     -5.005223      4.078455
  C      -7.484281     -4.144702      4.648402
  O      -6.541376     -4.644100      5.256974
  C      -7.551825     -2.663141      4.440106
  C      -8.525601     -2.060965      3.623758
  C      -8.523070     -0.684219      3.421549
  C      -7.543012      0.085037      4.041100
  F      -7.578201      1.418792      3.817433
  C      -6.557653     -0.464975      4.877097
  C      -5.445972      0.288842      5.557157
  O      -4.743793     -0.286395      6.377760
  C      -5.160675      1.743330      5.158969
  C      -6.594810     -1.854418      5.057749
  H      -3.730165     -7.648852      4.500481
  H      -5.160969     -6.589965      4.252459
  H      -4.131151     -7.013791      2.872298
  H      -5.106221     -5.059405      2.204265
  H      -5.614421     -2.831799      1.198911
  H      -0.681154     -1.341351      4.664217
  H      -1.912324     -1.352955      5.936042
  H      -2.225675     -3.246382      4.803482
  H      -6.694747     12.045877      3.730013
  H      -7.618176     11.219012      2.468043
  H      -6.402786     12.455058      2.009673
  H      -7.524101      9.909978      4.468957
  H      -7.601304      7.839659      5.858442
  H      -3.451246      5.572790      6.005685
  H      -4.242000      4.464857      4.910293
  H      -3.844871      8.543676      2.687540
  H      -9.571617     -4.683823      4.447125
  H      -8.411378     -6.049637      4.356373
  H      -8.614640     -4.921318      2.980442
  H      -9.290207     -2.665159      3.135150
  H      -9.267131     -0.196214      2.792256
  H      -6.023287      2.358623      5.483553
  H      -5.168326      1.795939      4.059406
  H      -5.838164     -2.314372      5.694563
  N      -1.316179      2.561063      3.149607
  N      -1.359292      3.807845      2.495576
  H      -1.738686      4.450533      3.360015
  H      -1.998067      3.817942      1.687388
  H      -0.427922      4.105070      2.171553
91
Coordinates from ORCA-job orca E -6562.661523197778
  N      -1.153135      0.548698      5.509842
  Mo     -2.122257      2.151143      4.778086
  N      -3.918557      2.247608      5.667956
  C      -3.948920      2.678021      7.062368
  C      -2.633071      2.325945      7.731848
  N      -1.488894      2.780179      6.879481
  C      -0.235105      2.025914      7.167633
  C      -0.409240      0.577618      6.749192
  C      -1.251029      4.250738      6.995725
  C      -1.032458      4.821824      5.603830
  N      -2.134607      4.363464      4.752025
  H       0.587686      0.109155      6.645069
  H      -0.932043     -0.000638      7.538619
  H       0.561648      2.502123      6.580475
  H       0.030296      2.107565      8.235172
  H      -0.961987      5.923038      5.638620
  H      -0.085997      4.447105      5.182361
  H      -2.144244      4.701739      7.448287
  H      -0.409463      4.445414      7.677463
  H      -4.758464      2.171088      7.611120
  H      -4.144035      3.764486      7.146350
  H      -2.563778      1.236540      7.825591
  H      -2.550366      2.773160      8.736449
  C      -4.121163     -6.816131      4.011394
  C      -3.267418     -5.611407      4.295634
  O      -2.330865     -5.652423      5.085228
  C      -3.607371     -4.319747      3.606416
  C      -4.570056     -4.225122      2.589101
  C      -4.865860     -2.991523      2.013150
  C      -4.222725     -1.851940      2.475535
  F      -4.558950     -0.680117      1.905813
  C      -3.252969     -1.894804      3.502666
  C      -2.625512     -0.697796      4.063157
  O      -3.014055      0.444851      3.734830
  C      -1.530648     -0.777419      5.080036
  C      -2.960801     -3.163002      4.031571
  C      -6.626101     11.685548      2.781815
  C      -5.538315     10.646997      2.678121
  O      -4.575159     10.803835      1.936679
  C      -5.656490      9.402280      3.509954
  C      -6.734924      9.171146      4.382637
  C      -6.792603      8.002844      5.135053
  C      -5.765066      7.075272      5.014795
  F      -5.861841      5.946727      5.763704
  C      -4.667271      7.255053      4.155769
  C      -3.522857      6.297635      3.976576
  O      -2.731534      6.464644      3.060845
  C      -3.366373      5.133072      4.956164
  C      -4.650466      8.442185      3.409013
  C      -8.562765     -4.996628      4.058644
  C      -7.472152     -4.130833      4.638351
  O      -6.536630     -4.625102      5.262297
  C      -7.542888     -2.650978      4.422910
  C      -8.509246     -2.055349      3.591213
  C      -8.506505     -0.680208      3.383604
  C      -7.535010      0.094976      4.010826
  F      -7.568816      1.428613      3.782633
  C      -6.558331     -0.448556      4.860261
  C      -5.452492      0.308700      5.547144
  O      -4.760962     -0.260806      6.380896
  C      -5.159104      1.756092      5.136053
  C      -6.597389     -1.837011      5.045674
  H      -3.733274     -7.673448      4.570372
  H      -5.162269     -6.612976      4.307901
  H      -4.132745     -7.055213      2.936966
  H      -5.095580     -5.115106      2.244937
  H      -5.603386     -2.894521      1.217011
  H      -0.684099     -1.356373      4.651782
  H      -1.898411     -1.378399      5.938294
  H      -2.224690     -3.269677      4.829151
  H      -6.716504     12.057649      3.813724
  H      -7.603680     11.258770      2.510592
  H      -6.393025     12.519536      2.112469
  H      -7.536224      9.902928      4.480490
  H      -7.620090      7.797008      5.813835
  H      -3.468453      5.535109      5.975731
  H      -4.234634      4.471941      4.836721
  H      -3.815171      8.617852      2.729791
  H      -9.554485     -4.675583      4.409799
  H      -8.389731     -6.038668      4.345721
  H      -8.576062     -4.919745      2.960084
  H      -9.266263     -2.663971      3.097271
  H      -9.244795     -0.197947      2.743632
  H      -6.022888      2.378062      5.448371
  H      -5.159519      1.802307      4.036086
  H      -5.847819     -2.294074      5.692955
  N      -1.356783      2.560853      3.129868
  N      -1.433992      3.802045      2.482778
  H      -1.794360      4.381405      3.485136
  H      -2.118197      3.821816      1.713687
  H      -0.528069      4.118185      2.109232
91
Coordinates from ORCA-job orca E -6562.663531563189
  N      -1.156853      0.544075      5.498243
  Mo     -2.145585      2.147494      4.777162
  N      -3.939528      2.246036      5.673345
  C      -3.965466      2.665576      7.067121
  C      -2.645318      2.309183      7.725974
  N      -1.507006      2.772122      6.868508
  C      -0.248065      2.022484      7.153825
  C      -0.410053      0.571705      6.732961
  C      -1.274754      4.242334      6.998525
  C      -1.048864      4.824859      5.614271
  N      -2.149108      4.373251      4.755030
  H       0.591795      0.114824      6.632523
  H      -0.927016     -0.017509      7.517898
  H       0.544275      2.504098      6.566137
  H       0.018362      2.101448      8.220924
  H      -0.984317      5.926427      5.651129
  H      -0.102658      4.455130      5.194312
  H      -2.166060      4.689796      7.456976
  H      -0.430929      4.442518      7.674885
  H      -4.771141      2.152293      7.615521
  H      -4.164982      3.749249      7.164654
  H      -2.568413      1.220472      7.812052
  H      -2.562741      2.750096      8.733163
  C      -4.096884     -6.827831      4.002898
  C      -3.240295     -5.626067      4.286387
  O      -2.299089     -5.665547      5.067966
  C      -3.592815     -4.335459      3.601778
  C      -4.562994     -4.243410      2.590039
  C      -4.870281     -3.012727      2.019042
  C      -4.231972     -1.868817      2.478120
  F      -4.581679     -0.697115      1.905853
  C      -3.259135     -1.911200      3.497001
  C      -2.635848     -0.699589      4.057275
  O      -3.040634      0.436553      3.734201
  C      -1.530905     -0.779408      5.061249
  C      -2.952591     -3.174325      4.023697
  C      -6.584319     11.724296      2.785370
  C      -5.490322     10.692893      2.689607
  O      -4.511672     10.859604      1.972582
  C      -5.626334      9.437761      3.504011
  C      -6.725609      9.197133      4.350568
  C      -6.800896      8.021215      5.087259
  C      -5.771161      7.095927      4.977847
  F      -5.884951      5.957124      5.711508
  C      -4.651506      7.287850      4.142449
  C      -3.514115      6.322780      3.987009
  O      -2.692046      6.484476      3.104727
  C      -3.389883      5.144313      4.951170
  C      -4.621377      8.481612      3.414320
  C      -8.547389     -5.012264      4.077978
  C      -7.457277     -4.148169      4.656133
  O      -6.518095     -4.641298      5.274552
  C      -7.535037     -2.667491      4.441827
  C      -8.509643     -2.075116      3.614501
  C      -8.513412     -0.701903      3.409160
  C      -7.543437      0.079462      4.030688
  F      -7.581478      1.415460      3.808767
  C      -6.559012     -0.460685      4.873005
  C      -5.454678      0.303865      5.548614
  O      -4.753765     -0.259328      6.382304
  C      -5.176934      1.755733      5.140699
  C      -6.592737     -1.849781      5.055986
  H      -3.706396     -7.687634      4.556016
  H      -5.133521     -6.619135      4.306542
  H      -4.113107     -7.062697      2.928195
  H      -5.084681     -5.135849      2.247790
  H      -5.612717     -2.916708      1.227457
  H      -0.691804     -1.354172      4.611110
  H      -1.882583     -1.393075      5.917851
  H      -2.210376     -3.277182      4.816159
  H      -6.696427     12.078189      3.820672
  H      -7.552154     11.295123      2.487180
  H      -6.341395     12.568723      2.133138
  H      -7.528692      9.926682      4.439707
  H      -7.643436      7.808329      5.744614
  H      -3.498757      5.517507      5.976268
  H      -4.256284      4.494748      4.802818
  H      -3.771773      8.667419      2.754885
  H      -9.537119     -4.694036      4.434368
  H      -8.369892     -6.054103      4.363286
  H      -8.562546     -4.932030      2.980183
  H      -9.266747     -2.686011      3.124721
  H      -9.257709     -0.222143      2.774296
  H      -6.048078      2.366729      5.460169
  H      -5.179007      1.810658      4.041567
  H      -5.837527     -2.305280      5.698018
  N      -1.396812      2.579375      3.130629
  N      -1.461726      3.823589      2.475932
  H      -1.789248      4.383639      3.597461
  H      -2.172897      3.867762      1.734445
  H      -0.572858      4.128350      2.055346
91
Coordinates from ORCA-job orca E -6562.666430283773
  N      -1.171336      0.550134      5.476904
  Mo     -2.184053      2.155169      4.773568
  N      -3.975509      2.237157      5.684663
  C      -3.993712      2.641340      7.076690
  C      -2.664689      2.281612      7.722745
  N      -1.534786      2.760142      6.862650
  C      -0.270294      2.018116      7.139134
  C      -0.415953      0.569023      6.704930
  C      -1.311954      4.227491      7.020640
  C      -1.083836      4.829024      5.646717
  N      -2.182665      4.388312      4.779881
  H       0.592294      0.130003      6.598688
  H      -0.921533     -0.040251      7.481540
  H       0.515429      2.511148      6.552565
  H      -0.003609      2.088626      8.206308
  H      -1.025046      5.930692      5.691327
  H      -0.136946      4.467607      5.226407
  H      -2.201459      4.666440      7.489472
  H      -0.463322      4.428031      7.690090
  H      -4.792084      2.116734      7.625207
  H      -4.203403      3.721803      7.190894
  H      -2.578290      1.193431      7.795113
  H      -2.582544      2.711235      8.734679
  C      -4.038994     -6.835252      3.993371
  C      -3.180557     -5.633711      4.268244
  O      -2.232347     -5.665165      5.038310
  C      -3.557035     -4.345405      3.591017
  C      -4.538464     -4.257469      2.587347
  C      -4.867083     -3.033261      2.023772
  C      -4.239770     -1.881610      2.478387
  F      -4.611891     -0.709866      1.908173
  C      -3.260286     -1.922221      3.485993
  C      -2.646670     -0.692352      4.044953
  O      -3.071342      0.439462      3.729289
  C      -1.530555     -0.772423      5.031728
  C      -2.927738     -3.177626      4.010596
  C      -6.510688     11.766708      2.769313
  C      -5.420443     10.731390      2.678523
  O      -4.433126     10.890250      1.973946
  C      -5.576843      9.475963      3.490898
  C      -6.688827      9.245585      4.326120
  C      -6.785704      8.071432      5.060980
  C      -5.765594      7.136620      4.962410
  F      -5.901265      5.997527      5.695805
  C      -4.632144      7.322065      4.135008
  C      -3.516378      6.338745      4.002199
  O      -2.671868      6.471197      3.138586
  C      -3.424023      5.159547      4.959761
  C      -4.583730      8.512336      3.411770
  C      -8.544923     -5.034332      4.088474
  C      -7.454889     -4.179672      4.675657
  O      -6.511574     -4.677893      5.281660
  C      -7.534875     -2.696789      4.467887
  C      -8.516931     -2.103291      3.647918
  C      -8.526635     -0.732309      3.449496
  C      -7.559032      0.052590      4.066112
  F      -7.601063      1.392345      3.853363
  C      -6.566586     -0.487811      4.899260
  C      -5.469403      0.286137      5.564419
  O      -4.749325     -0.270625      6.391758
  C      -5.211390      1.744496      5.158994
  C      -6.593506     -1.878484      5.076059
  H      -3.642424     -7.695664      4.540972
  H      -5.067902     -6.619155      4.312352
  H      -4.063998     -7.067363      2.919269
  H      -5.053008     -5.153695      2.245589
  H      -5.617805     -2.941247      1.239545
  H      -0.696812     -1.336853      4.557298
  H      -1.859828     -1.402219      5.886055
  H      -2.177030     -3.274749      4.795262
  H      -6.626374     12.113224      3.805640
  H      -7.475217     11.339760      2.460987
  H      -6.259166     12.612635      2.122584
  H      -7.485498      9.981437      4.407942
  H      -7.637941      7.868264      5.708223
  H      -3.531734      5.513803      5.989344
  H      -4.293253      4.523856      4.784888
  H      -3.725987      8.692713      2.760593
  H      -9.531660     -4.719717      4.452739
  H      -8.365288     -6.078684      4.363273
  H      -8.559198     -4.940055      2.992490
  H      -9.275267     -2.713239      3.160381
  H      -9.276528     -0.251297      2.822044
  H      -6.090140      2.340529      5.491015
  H      -5.221272      1.807372      4.061185
  H      -5.832667     -2.334107      5.711263
  N      -1.456575      2.611812      3.133964
  N      -1.508711      3.845200      2.434168
  H      -1.889204      4.466409      3.637077
  H      -2.203012      3.856785      1.678509
  H      -0.626610      4.149650      2.001090
91
Coordinates from ORCA-job orca E -6562.668831092871
  N      -1.171224      0.546907      5.451630
  Mo     -2.190494      2.144852      4.735937
  N      -3.986457      2.244112      5.649045
  C      -4.008649      2.656908      7.034309
  C      -2.677510      2.301052      7.686799
  N      -1.547882      2.769549      6.821876
  C      -0.283896      2.033374      7.107488
  C      -0.421798      0.581569      6.686413
  C      -1.325988      4.237287      6.970015
  C      -1.087521      4.835609      5.595559
  N      -2.180492      4.399671      4.714347
  H       0.590279      0.147995      6.587067
  H      -0.928132     -0.021026      7.468272
  H       0.501901      2.521869      6.515587
  H      -0.022901      2.118846      8.175183
  H      -1.023297      5.936466      5.640266
  H      -0.140022      4.468990      5.177247
  H      -2.217826      4.678410      7.433032
  H      -0.479928      4.438197      7.643300
  H      -4.808025      2.136000      7.585979
  H      -4.222563      3.740490      7.138672
  H      -2.593319      1.212719      7.767754
  H      -2.592618      2.739654      8.694939
  C      -4.008200     -6.862649      4.098072
  C      -3.147153     -5.656058      4.346077
  O      -2.196728     -5.671523      5.114245
  C      -3.526743     -4.378890      3.647217
  C      -4.509876     -4.303993      2.641836
  C      -4.845016     -3.092801      2.060425
  C      -4.222387     -1.932367      2.497726
  F      -4.598739     -0.768392      1.916965
  C      -3.239781     -1.959560      3.505510
  C      -2.635549     -0.720001      4.045545
  O      -3.072592      0.409427      3.718089
  C      -1.514224     -0.783758      5.023951
  C      -2.897221     -3.205402      4.051414
  C      -6.494997     11.818298      2.879138
  C      -5.399230     10.787941      2.772246
  O      -4.402618     10.968756      2.086542
  C      -5.562408      9.507035      3.545656
  C      -6.683325      9.248295      4.357871
  C      -6.788963      8.052473      5.057391
  C      -5.767389      7.121753      4.947214
  F      -5.916235      5.962795      5.648001
  C      -4.623927      7.335797      4.141102
  C      -3.500907      6.366373      3.987655
  O      -2.634273      6.534164      3.142056
  C      -3.419791      5.158573      4.898690
  C      -4.564126      8.545665      3.452411
  C      -8.585580     -5.027174      4.058676
  C      -7.490091     -4.184131      4.654972
  O      -6.556817     -4.690800      5.268693
  C      -7.553123     -2.699830      4.443491
  C      -8.523319     -2.102035      3.614576
  C      -8.523346     -0.732606      3.408743
  C      -7.557886      0.048318      4.027229
  F      -7.592794      1.387164      3.803038
  C      -6.574515     -0.494003      4.871135
  C      -5.483287      0.283016      5.536959
  O      -4.767059     -0.267602      6.373472
  C      -5.221755      1.742713      5.124941
  C      -6.607091     -1.884548      5.057349
  H      -3.613259     -7.713500      4.661901
  H      -5.034667     -6.634451      4.419426
  H      -4.035939     -7.114539      3.028655
  H      -5.024200     -5.205178      2.311676
  H      -5.597777     -3.014127      1.276161
  H      -0.678332     -1.346167      4.551158
  H      -1.831155     -1.407872      5.886769
  H      -2.146554     -3.291699      4.836451
  H      -6.624817     12.132465      3.924406
  H      -7.453454     11.396967      2.544611
  H      -6.237974     12.684606      2.261762
  H      -7.483844      9.979519      4.450811
  H      -7.650161      7.830153      5.686345
  H      -3.528592      5.478337      5.943877
  H      -4.288598      4.520220      4.691861
  H      -3.697664      8.746112      2.819094
  H      -9.571514     -4.699256      4.414411
  H      -8.421065     -6.073181      4.336861
  H      -8.588136     -4.934117      2.962330
  H      -9.282605     -2.708132      3.123211
  H      -9.264581     -0.248147      2.773008
  H      -6.102126      2.338175      5.449520
  H      -5.229700      1.796482      4.027127
  H      -5.853234     -2.340249      5.700536
  N      -1.489671      2.607455      3.118395
  N      -1.530370      3.834099      2.407178
  H      -1.922812      4.505515      3.721288
  H      -2.231787      3.848005      1.660415
  H      -0.650890      4.127831      1.967838
91
Coordinates from ORCA-job orca E -6562.670296874323
  N      -1.160778      0.563532      5.435844
  Mo     -2.159400      2.144190      4.705193
  N      -3.959482      2.250127      5.617136
  C      -3.992219      2.680260      7.005604
  C      -2.663586      2.333363      7.675447
  N      -1.531101      2.787350      6.810197
  C      -0.271301      2.054712      7.104997
  C      -0.416784      0.610119      6.687647
  C      -1.308222      4.258738      6.937953
  C      -1.077776      4.854919      5.556597
  N      -2.169022      4.409713      4.676864
  H       0.593210      0.165710      6.580029
  H      -0.932152      0.023676      7.477706
  H       0.519371      2.536309      6.508927
  H      -0.015893      2.154767      8.173894
  H      -1.009463      5.954298      5.611981
  H      -0.126752      4.488479      5.125879
  H      -2.205755      4.701188      7.392368
  H      -0.465111      4.446836      7.622142
  H      -4.794555      2.165963      7.561837
  H      -4.208033      3.771109      7.087807
  H      -2.595989      1.241579      7.769175
  H      -2.570231      2.785068      8.678086
  C      -4.011478     -6.868742      4.175160
  C      -3.157320     -5.646700      4.402388
  O      -2.199282     -5.651453      5.169410
  C      -3.530466     -4.370359      3.691090
  C      -4.513003     -4.295562      2.685915
  C      -4.844372     -3.086168      2.090429
  C      -4.211332     -1.927487      2.519680
  F      -4.566545     -0.770017      1.947543
  C      -3.219522     -1.949913      3.533910
  C      -2.611229     -0.737873      4.058549
  O      -3.035302      0.406306      3.726650
  C      -1.488057     -0.783504      5.037675
  C      -2.885116     -3.200983      4.092245
  C      -6.530350     11.841338      2.957679
  C      -5.436520     10.800983      2.851507
  O      -4.432005     10.992194      2.175657
  C      -5.601261      9.503711      3.601803
  C      -6.719596      9.223488      4.398938
  C      -6.824790      8.009761      5.077681
  C      -5.801023      7.078491      4.961413
  F      -5.961109      5.913693      5.641811
  C      -4.661283      7.306525      4.175065
  C      -3.501918      6.375579      3.977096
  O      -2.640855      6.619618      3.113227
  C      -3.397793      5.143297      4.863163
  C      -4.589455      8.534367      3.498699
  C      -8.645364     -5.030608      4.021723
  C      -7.539830     -4.183001      4.611431
  O      -6.608858     -4.689188      5.230788
  C      -7.590465     -2.697052      4.402646
  C      -8.552707     -2.092252      3.578064
  C      -8.546039     -0.717329      3.367700
  C      -7.573533      0.051867      3.985947
  F      -7.614599      1.383409      3.748586
  C      -6.591093     -0.495863      4.831751
  C      -5.490112      0.270972      5.499199
  O      -4.789488     -0.287463      6.335663
  C      -5.204199      1.734651      5.094703
  C      -6.625496     -1.886582      5.026353
  H      -3.613132     -7.709966      4.752536
  H      -5.042917     -6.645618      4.501749
  H      -4.042902     -7.136681      3.107965
  H      -5.037378     -5.195479      2.360014
  H      -5.599348     -3.014067      1.306157
  H      -0.636321     -1.340527      4.592310
  H      -1.805937     -1.386142      5.913321
  H      -2.135931     -3.291083      4.877560
  H      -6.672079     12.148333      4.006722
  H      -7.490922     11.432411      2.605553
  H      -6.260632     12.714876      2.354062
  H      -7.526524      9.952311      4.500488
  H      -7.690528      7.773303      5.697281
  H      -3.516335      5.468446      5.920917
  H      -4.263636      4.470419      4.649486
  H      -3.716790      8.741079      2.877406
  H      -9.632747     -4.695388      4.377904
  H      -8.488121     -6.077193      4.303116
  H      -8.651390     -4.944886      2.923039
  H      -9.318559     -2.693050      3.085331
  H      -9.283536     -0.225460      2.731429
  H      -6.071001      2.340833      5.414372
  H      -5.212491      1.775433      3.995907
  H      -5.871746     -2.341904      5.670050
  N      -1.435765      2.547078      3.106124
  N      -1.422110      3.721511      2.349945
  H      -1.777155      4.569157      3.569356
  H      -2.112296      3.728471      1.590945
  H      -0.500881      3.934889      1.960819
91
Coordinates from ORCA-job orca E -6562.672837938371
  N      -1.179263      0.562497      5.443850
  Mo     -2.195454      2.143891      4.723590
  N      -3.985018      2.245877      5.636610
  C      -4.012917      2.661485      7.033590
  C      -2.686704      2.308021      7.691694
  N      -1.557081      2.777401      6.829681
  C      -0.291554      2.047661      7.116735
  C      -0.431593      0.602821      6.687160
  C      -1.339425      4.245993      6.983090
  C      -1.100315      4.860060      5.619317
  N      -2.191185      4.422746      4.731239
  H       0.580569      0.166971      6.578398
  H      -0.939062      0.001828      7.470759
  H       0.496118      2.538926      6.527839
  H      -0.032185      2.133393      8.185467
  H      -1.037909      5.959287      5.682104
  H      -0.152357      4.500448      5.189552
  H      -2.235716      4.680779      7.444571
  H      -0.497609      4.436371      7.665468
  H      -4.811164      2.138797      7.585850
  H      -4.225759      3.746259      7.137774
  H      -2.613383      1.217089      7.771091
  H      -2.596674      2.746885      8.699699
  C      -4.000585     -6.877341      4.103775
  C      -3.151816     -5.656108      4.344597
  O      -2.192687     -5.664847      5.107753
  C      -3.535988     -4.378077      3.646872
  C      -4.518437     -4.309758      2.645612
  C      -4.857667     -3.093321      2.062572
  C      -4.233784     -1.932433      2.503129
  F      -4.604120     -0.775854      1.932099
  C      -3.244682     -1.950737      3.513162
  C      -2.639810     -0.731676      4.052574
  O      -3.073809      0.401002      3.737661
  C      -1.507094     -0.777411      5.024780
  C      -2.905057     -3.203238      4.053325
  C      -6.451034     11.909711      2.917012
  C      -5.361469     10.867427      2.836772
  O      -4.339875     11.054364      2.187202
  C      -5.554047      9.573395      3.580894
  C      -6.696445      9.299563      4.350568
  C      -6.821911      8.085999      5.023011
  C      -5.797918      7.152157      4.926971
  F      -5.967157      5.983626      5.596726
  C      -4.636737      7.374496      4.168526
  C      -3.491951      6.421791      4.011712
  O      -2.610257      6.646685      3.185834
  C      -3.437912      5.173851      4.899932
  C      -4.549306      8.604452      3.500464
  C      -8.541766     -5.089280      4.082047
  C      -7.459580     -4.208213      4.660539
  O      -6.511421     -4.685657      5.276759
  C      -7.550533     -2.727826      4.441768
  C      -8.532104     -2.147292      3.618489
  C      -8.550624     -0.772978      3.405890
  C      -7.585680      0.018441      4.018269
  F      -7.645731      1.349310      3.784023
  C      -6.589722     -0.509204      4.859370
  C      -5.493350      0.270082      5.522363
  O      -4.783565     -0.280917      6.354750
  C      -5.224487      1.730987      5.115673
  C      -6.605521     -1.898002      5.052092
  H      -3.595523     -7.722395      4.669682
  H      -5.032283     -6.665076      4.428679
  H      -4.031451     -7.134066      3.034119
  H      -5.031302     -5.213438      2.315340
  H      -5.611735     -3.019774      1.278899
  H      -0.660143     -1.323379      4.553588
  H      -1.809763     -1.399902      5.892544
  H      -2.152381     -3.290466      4.836675
  H      -6.617790     12.215218      3.961538
  H      -7.402996     11.504871      2.540438
  H      -6.162231     12.781674      2.321460
  H      -7.501023     10.030896      4.433602
  H      -7.702479      7.851404      5.621140
  H      -3.583931      5.471317      5.948358
  H      -4.293004      4.519984      4.660115
  H      -3.661568      8.809776      2.900177
  H      -9.535716     -4.781239      4.440000
  H      -8.352693     -6.128596      4.369796
  H      -8.554309     -5.011075      2.983701
  H      -9.287566     -2.765175      3.132937
  H      -9.301054     -0.299024      2.772754
  H      -6.094884      2.332462      5.443506
  H      -5.236514      1.778659      4.016509
  H      -5.840877     -2.340428      5.691826
  N      -1.497840      2.567598      3.081237
  N      -1.516278      3.678717      2.259660
  H      -1.895175      4.453106      3.580773
  H      -2.228707      3.637983      1.523208
  H      -0.610402      3.892970      1.831154
91
Coordinates from ORCA-job orca E -6562.678082189108
  N      -1.189811      0.560621      5.425632
  Mo     -2.222462      2.137776      4.702681
  N      -4.015383      2.243873      5.625560
  C      -4.047743      2.655607      7.019684
  C      -2.721988      2.304340      7.675622
  N      -1.593550      2.775199      6.811999
  C      -0.319928      2.054237      7.097988
  C      -0.450207      0.605191      6.670516
  C      -1.378646      4.246098      6.963480
  C      -1.124698      4.859378      5.602915
  N      -2.210309      4.431999      4.700799
  H       0.562328      0.174154      6.562872
  H      -0.959429      0.003412      7.450893
  H       0.461468      2.549768      6.506094
  H      -0.060785      2.144446      8.165925
  H      -1.053959      5.958350      5.666633
  H      -0.178576      4.494004      5.183935
  H      -2.277640      4.679227      7.419428
  H      -0.541314      4.438747      7.649071
  H      -4.844235      2.129243      7.569863
  H      -4.263717      3.736397      7.130248
  H      -2.649171      1.214484      7.751238
  H      -2.630578      2.740658      8.684190
  C      -3.998286     -6.887521      4.083788
  C      -3.153455     -5.669179      4.337813
  O      -2.201099     -5.679500      5.105850
  C      -3.534720     -4.394332      3.636521
  C      -4.511633     -4.332609      2.631663
  C      -4.851782     -3.118181      2.045934
  C      -4.234497     -1.954189      2.487206
  F      -4.611752     -0.797139      1.911806
  C      -3.250055     -1.968473      3.498157
  C      -2.647246     -0.742512      4.039736
  O      -3.085120      0.383634      3.727737
  C      -1.512707     -0.781169      5.009704
  C      -2.909828     -3.216747      4.040388
  C      -6.387294     11.958769      2.955054
  C      -5.300131     10.917276      2.875533
  O      -4.265460     11.111942      2.251533
  C      -5.515895      9.612277      3.589416
  C      -6.679059      9.330330      4.328906
  C      -6.826013      8.106995      4.973888
  C      -5.804021      7.171976      4.881157
  F      -5.987039      5.988097      5.521115
  C      -4.622783      7.405679      4.151735
  C      -3.490019      6.443517      4.013738
  O      -2.583607      6.660585      3.234165
  C      -3.464895      5.183655      4.874477
  C      -4.517616      8.645930      3.511626
  C      -8.504256     -5.124467      4.149560
  C      -7.420809     -4.233424      4.703525
  O      -6.468291     -4.699353      5.321773
  C      -7.527956     -2.756529      4.474009
  C      -8.521606     -2.190179      3.653845
  C      -8.550844     -0.819013      3.430860
  C      -7.585933     -0.015462      4.030684
  F      -7.647918      1.315733      3.790567
  C      -6.582968     -0.531192      4.867890
  C      -5.490818      0.262414      5.519833
  O      -4.772524     -0.273660      6.357944
  C      -5.246383      1.723539      5.105984
  C      -6.589908     -1.917386      5.069090
  H      -3.597832     -7.734103      4.649914
  H      -5.030582     -6.677052      4.401841
  H      -4.020985     -7.137959      3.012920
  H      -5.019376     -5.238569      2.302169
  H      -5.603604     -3.047593      1.260561
  H      -0.664081     -1.327096      4.540242
  H      -1.814019     -1.400426      5.881369
  H      -2.161371     -3.299781      4.828843
  H      -6.573135     12.243366      4.001186
  H      -7.331486     11.563973      2.551682
  H      -6.083874     12.840914      2.383182
  H      -7.480852     10.063179      4.407784
  H      -7.720495      7.865609      5.547553
  H      -3.614793      5.458349      5.920371
  H      -4.316003      4.547976      4.616218
  H      -3.616642      8.859884      2.935185
  H      -9.493771     -4.815492      4.514561
  H      -8.306994     -6.158815      4.449132
  H      -8.529006     -5.060470      3.051017
  H      -9.274695     -2.817499      3.178273
  H      -9.307970     -0.355342      2.799097
  H      -6.126276      2.315962      5.433326
  H      -5.259110      1.769135      4.006278
  H      -5.817980     -2.350182      5.706010
  N      -1.528208      2.606929      3.076390
  N      -1.504261      3.728617      2.272378
  H      -1.922977      4.477922      3.720807
  H      -2.215591      3.717507      1.534921
  H      -0.590368      3.928972      1.849424
91
Coordinates from ORCA-job orca E -6562.680009613661
  N      -1.205940      0.563650      5.426589
  Mo     -2.236632      2.141859      4.708036
  N      -4.028237      2.244875      5.636737
  C      -4.051714      2.649496      7.034784
  C      -2.718373      2.299672      7.682914
  N      -1.595683      2.775805      6.815871
  C      -0.324884      2.052453      7.098696
  C      -0.461164      0.605568      6.669906
  C      -1.387855      4.247861      6.970622
  C      -1.136532      4.868992      5.612846
  N      -2.217918      4.438247      4.709217
  H       0.551206      0.172892      6.557153
  H      -0.965938      0.004109      7.453935
  H       0.458365      2.547958      6.508205
  H      -0.065858      2.141189      8.167011
  H      -1.071711      5.967697      5.681687
  H      -0.188631      4.508410      5.187616
  H      -2.290975      4.674866      7.425583
  H      -0.554100      4.440289      7.661751
  H      -4.842290      2.116037      7.587378
  H      -4.273917      3.730820      7.148851
  H      -2.642391      1.208776      7.752953
  H      -2.619062      2.732442      8.692446
  C      -3.965875     -6.890078      4.072510
  C      -3.126894     -5.664625      4.315388
  O      -2.165729     -5.669559      5.074431
  C      -3.524321     -4.388011      3.624387
  C      -4.507041     -4.325855      2.623297
  C      -4.858782     -3.111900      2.044503
  C      -4.248648     -1.946216      2.489193
  F      -4.629206     -0.788643      1.921237
  C      -3.259628     -1.958668      3.499271
  C      -2.663077     -0.737234      4.041666
  O      -3.110349      0.396003      3.738229
  C      -1.516515     -0.776609      4.999002
  C      -2.906023     -3.209157      4.034980
  C      -6.356130     11.998659      2.974529
  C      -5.259566     10.963832      2.918445
  O      -4.199813     11.179575      2.344195
  C      -5.494767      9.640290      3.593126
  C      -6.683579      9.334869      4.277381
  C      -6.850395      8.096241      4.889639
  C      -5.820585      7.167635      4.818503
  F      -6.024995      5.970243      5.426727
  C      -4.614008      7.423122      4.143306
  C      -3.462619      6.475796      4.023143
  O      -2.520149      6.730992      3.284863
  C      -3.469641      5.190113      4.845127
  C      -4.485621      8.678297      3.534494
  C      -8.504446     -5.144571      4.147002
  C      -7.426484     -4.255632      4.716824
  O      -6.468774     -4.725766      5.323660
  C      -7.533673     -2.776550      4.498266
  C      -8.530370     -2.206836      3.686712
  C      -8.566289     -0.834044      3.472119
  C      -7.601976     -0.032778      4.071642
  F      -7.674745      1.299302      3.838799
  C      -6.592062     -0.550335      4.900519
  C      -5.498988      0.246144      5.550209
  O      -4.769205     -0.291076      6.376787
  C      -5.261346      1.707747      5.131987
  C      -6.590236     -1.938199      5.096047
  H      -3.553745     -7.732802      4.636417
  H      -4.998157     -6.688253      4.398853
  H      -3.996226     -7.143221      3.002373
  H      -5.009764     -5.233162      2.288935
  H      -5.612764     -3.043685      1.260549
  H      -0.666471     -1.305685      4.513587
  H      -1.798500     -1.411018      5.865679
  H      -2.152140     -3.291927      4.817609
  H      -6.590179     12.258233      4.017990
  H      -7.280335     11.609438      2.521585
  H      -6.033507     12.895933      2.437089
  H      -7.492450     10.062515      4.339500
  H      -7.766164      7.838155      5.421103
  H      -3.666124      5.436980      5.896546
  H      -4.311430      4.556994      4.529502
  H      -3.562744      8.908465      3.000611
  H      -9.497179     -4.845029      4.513064
  H      -8.303783     -6.182257      4.432456
  H      -8.527356     -5.065442      3.049099
  H      -9.284887     -2.833072      3.211155
  H      -9.328643     -0.368290      2.847797
  H      -6.140443      2.295638      5.465619
  H      -5.286330      1.749702      4.032583
  H      -5.813723     -2.371474      5.727075
  N      -1.539478      2.600470      3.101269
  N      -1.523110      3.670960      2.237374
  H      -1.871735      4.582331      3.645062
  H      -2.254657      3.639351      1.519902
  H      -0.618094      3.824929      1.780795
91
Coordinates from ORCA-job orca E -6562.681621007821
  N      -1.224824      0.570120      5.409080
  Mo     -2.259263      2.140209      4.687453
  N      -4.052372      2.250582      5.615372
  C      -4.081187      2.658272      7.013392
  C      -2.750657      2.305071      7.668022
  N      -1.626680      2.780743      6.804853
  C      -0.355681      2.061249      7.091231
  C      -0.486628      0.615991      6.659806
  C      -1.424872      4.253272      6.962611
  C      -1.158901      4.881178      5.610829
  N      -2.232961      4.457564      4.694292
  H       0.527560      0.185102      6.549615
  H      -0.995277      0.014492      7.441670
  H       0.428410      2.559272      6.502871
  H      -0.100518      2.150697      8.160697
  H      -1.090204      5.978738      5.688032
  H      -0.208822      4.518877      5.187709
  H      -2.334972      4.677046      7.407669
  H      -0.599644      4.444736      7.665114
  H      -4.874632      2.126297      7.563930
  H      -4.303022      3.742114      7.123558
  H      -2.680854      1.212797      7.735546
  H      -2.651339      2.736291      8.678567
  C      -3.924408     -6.908958      4.077408
  C      -3.096503     -5.673158      4.312834
  O      -2.128661     -5.668366      5.064815
  C      -3.509413     -4.398841      3.624338
  C      -4.497253     -4.342792      2.627290
  C      -4.860959     -3.131532      2.049108
  C      -4.257167     -1.961865      2.491132
  F      -4.644176     -0.807147      1.926657
  C      -3.263132     -1.967174      3.498691
  C      -2.672982     -0.746445      4.037333
  O      -3.134212      0.387074      3.745100
  C      -1.514343     -0.774922      4.980633
  C      -2.897329     -3.215765      4.033979
  C      -6.292122     12.075774      3.017033
  C      -5.198107     11.035733      2.974418
  O      -4.121460     11.257401      2.433741
  C      -5.455574      9.700761      3.619760
  C      -6.662501      9.387625      4.265565
  C      -6.850010      8.138872      4.852618
  C      -5.822468      7.206276      4.793973
  F      -6.049291      6.002154      5.379443
  C      -4.598324      7.467807      4.156841
  C      -3.440231      6.524302      4.044930
  O      -2.470262      6.803505      3.342886
  C      -3.482180      5.206410      4.816139
  C      -4.446707      8.733827      3.572814
  C      -8.481091     -5.194332      4.174760
  C      -7.406706     -4.294508      4.737512
  O      -6.441110     -4.755575      5.338953
  C      -7.526630     -2.816192      4.517602
  C      -8.533491     -2.256326      3.713115
  C      -8.584328     -0.883653      3.496412
  C      -7.623163     -0.073350      4.086968
  F      -7.714497      1.256552      3.851717
  C      -6.601457     -0.579786      4.909393
  C      -5.512006      0.229094      5.550588
  O      -4.777082     -0.298209      6.378134
  C      -5.282107      1.690002      5.119244
  C      -6.583875     -1.967709      5.108905
  H      -3.500664     -7.746741      4.640527
  H      -4.957012     -6.717397      4.412182
  H      -3.959700     -7.164157      3.007735
  H      -4.995399     -5.253290      2.293343
  H      -5.618366     -3.070132      1.267450
  H      -0.659854     -1.286240      4.485036
  H      -1.775686     -1.416865      5.847809
  H      -2.139664     -3.293458      4.813275
  H      -6.555249     12.318910      4.058141
  H      -7.204982     11.699498      2.530216
  H      -5.950056     12.981145      2.505097
  H      -7.470942     10.117573      4.317904
  H      -7.780745      7.875894      5.355422
  H      -3.708483      5.415275      5.874316
  H      -4.315909      4.581115      4.451529
  H      -3.507989      8.967961      3.068843
  H      -9.475022     -4.902023      4.545654
  H      -8.270904     -6.230099      4.460654
  H      -8.510306     -5.117492      3.076459
  H      -9.286715     -2.889748      3.244051
  H      -9.356166     -0.425315      2.877694
  H      -6.163543      2.274474      5.448085
  H      -5.310418      1.718615      4.019738
  H      -5.798321     -2.391610      5.735443
  N      -1.583955      2.588863      3.082926
  N      -1.543202      3.608766      2.174386
  H      -1.882437      4.595303      3.642939
  H      -2.282848      3.569823      1.466116
  H      -0.633706      3.709336      1.716449
91
Coordinates from ORCA-job orca E -6562.673351963714
  N      -1.221708      0.574273      5.386500
  Mo     -2.264889      2.130435      4.658439
  N      -4.058625      2.254161      5.586860
  C      -4.093489      2.671652      6.985866
  C      -2.768373      2.319786      7.647912
  N      -1.641885      2.791767      6.787507
  C      -0.366280      2.078234      7.074590
  C      -0.486974      0.633955      6.642627
  C      -1.443481      4.266024      6.938363
  C      -1.163565      4.897634      5.587949
  N      -2.228757      4.471227      4.661750
  H       0.529534      0.205901      6.530463
  H      -0.994570      0.034911      7.427570
  H       0.415137      2.580320      6.484920
  H      -0.109961      2.169848      8.144192
  H      -1.096739      5.993978      5.673926
  H      -0.208581      4.536747      5.168915
  H      -2.358857      4.690388      7.373985
  H      -0.624511      4.456415      7.650193
  H      -4.890311      2.144157      7.536272
  H      -4.312197      3.758916      7.088949
  H      -2.706757      1.226032      7.719530
  H      -2.669142      2.754379      8.657800
  C      -3.924527     -6.928840      4.098532
  C      -3.099203     -5.687075      4.322844
  O      -2.126040     -5.680353      5.071409
  C      -3.513877     -4.412676      3.633993
  C      -4.506665     -4.358697      2.642377
  C      -4.870112     -3.144171      2.062589
  C      -4.259637     -1.976890      2.500273
  F      -4.641860     -0.823176      1.940011
  C      -3.258925     -1.978217      3.504144
  C      -2.663814     -0.767439      4.036362
  O      -3.123954      0.366028      3.750004
  C      -1.497588     -0.780712      4.971866
  C      -2.896606     -3.229442      4.038213
  C      -6.258894     12.130169      3.058271
  C      -5.173314     11.079291      3.019065
  O      -4.088691     11.300634      2.491374
  C      -5.444186      9.738119      3.647580
  C      -6.657807      9.424761      4.278269
  C      -6.856397      8.169638      4.850377
  C      -5.832941      7.230423      4.791399
  F      -6.072148      6.024804      5.361949
  C      -4.602866      7.488333      4.170194
  C      -3.438591      6.548211      4.050740
  O      -2.459062      6.849466      3.358529
  C      -3.478470      5.211595      4.793126
  C      -4.437615      8.763723      3.599508
  C      -8.461482     -5.236741      4.197317
  C      -7.395262     -4.316984      4.749064
  O      -6.424100     -4.763268      5.354518
  C      -7.528557     -2.841641      4.517349
  C      -8.540965     -2.295758      3.711276
  C      -8.603185     -0.922865      3.484159
  C      -7.645137     -0.101954      4.067775
  F      -7.752429      1.222249      3.820930
  C      -6.617337     -0.593296      4.892364
  C      -5.526437      0.222111      5.531856
  O      -4.797602     -0.304982      6.360682
  C      -5.289583      1.680200      5.092742
  C      -6.589022     -1.980176      5.102578
  H      -3.494350     -7.761680      4.664873
  H      -4.959197     -6.745220      4.437982
  H      -3.966929     -7.191723      3.030173
  H      -5.008871     -5.269272      2.312581
  H      -5.631625     -3.084913      1.284226
  H      -0.637062     -1.282699      4.479451
  H      -1.748803     -1.416322      5.846066
  H      -2.135502     -3.305382      4.814775
  H      -6.533935     12.369065      4.098568
  H      -7.171294     11.769208      2.556664
  H      -5.901924     13.037391      2.558843
  H      -7.462502     10.160613      4.329978
  H      -7.793250      7.905875      5.342498
  H      -3.712951      5.398548      5.859084
  H      -4.307802      4.579751      4.414922
  H      -3.492206      8.996519      3.107230
  H      -9.460174     -4.952601      4.566413
  H      -8.240330     -6.267918      4.491882
  H      -8.494842     -5.172079      3.097455
  H      -9.290838     -2.939034      3.248278
  H      -9.380714     -0.475747      2.863659
  H      -6.167945      2.269864      5.413198
  H      -5.315999      1.697567      3.992806
  H      -5.798278     -2.392682      5.731271
  N      -1.603504      2.581948      3.052252
  N      -1.509328      3.592815      2.162177
  H      -1.954717      4.547163      3.773060
  H      -2.226841      3.558985      1.430521
  H      -0.571318      3.651682      1.762535
91
Coordinates from ORCA-job orca E -6562.684066604278
  N      -1.231487      0.571646      5.399287
  Mo     -2.273175      2.134499      4.673984
  N      -4.066503      2.263165      5.596306
  C      -4.102205      2.674936      6.994077
  C      -2.779451      2.314578      7.655870
  N      -1.651209      2.786824      6.799025
  C      -0.379795      2.068826      7.090180
  C      -0.502897      0.622484      6.655589
  C      -1.454959      4.258663      6.955939
  C      -1.171638      4.888129      5.608553
  N      -2.233573      4.461216      4.678685
  H       0.513333      0.195318      6.551209
  H      -1.014458      0.018370      7.433286
  H       0.405719      2.569804      6.506615
  H      -0.128624      2.155944      8.160870
  H      -1.108175      5.985361      5.689574
  H      -0.216531      4.528583      5.196668
  H      -2.371387      4.681705      7.388235
  H      -0.639540      4.454143      7.668843
  H      -4.901584      2.147862      7.540077
  H      -4.318194      3.759593      7.101503
  H      -2.716752      1.221960      7.722076
  H      -2.684308      2.743867      8.667840
  C      -3.924748     -6.916699      4.072725
  C      -3.096536     -5.681055      4.305665
  O      -2.126158     -5.677550      5.054327
  C      -3.511394     -4.406952      3.619369
  C      -4.501895     -4.352731      2.625714
  C      -4.866529     -3.140445      2.047924
  C      -4.260878     -1.971243      2.487719
  F      -4.649574     -0.816044      1.924294
  C      -3.264566     -1.974635      3.492262
  C      -2.673450     -0.754456      4.030452
  O      -3.138511      0.375990      3.744187
  C      -1.509644     -0.776099      4.969326
  C      -2.898924     -3.223192      4.025920
  C      -6.260359     12.099013      3.040088
  C      -5.168980     11.056820      3.002006
  O      -4.087113     11.279167      2.472060
  C      -5.435400      9.719219      3.637203
  C      -6.648901      9.406326      4.271825
  C      -6.844394      8.155136      4.850121
  C      -5.818795      7.220011      4.793373
  F      -6.050931      6.013265      5.369345
  C      -4.588684      7.481025      4.167183
  C      -3.435283      6.533027      4.059823
  O      -2.453225      6.816338      3.378633
  C      -3.488284      5.202859      4.806819
  C      -4.429336      8.750864      3.592179
  C      -8.444554     -5.217247      4.205683
  C      -7.377927     -4.303586      4.760085
  O      -6.408187     -4.752365      5.364631
  C      -7.512360     -2.828027      4.532254
  C      -8.526322     -2.280667      3.727683
  C      -8.588332     -0.909267      3.504116
  C      -7.630860     -0.088454      4.088119
  F      -7.731474      1.239478      3.846908
  C      -6.603771     -0.582652      4.910350
  C      -5.516183      0.235642      5.546243
  O      -4.779836     -0.284544      6.376514
  C      -5.293519      1.692595      5.104074
  C      -6.576125     -1.969085      5.116564
  H      -3.498351     -7.753524      4.635150
  H      -4.957185     -6.728205      4.409405
  H      -3.963711     -7.173065      3.003328
  H      -5.000405     -5.263764      2.294077
  H      -5.625989     -3.080303      1.268351
  H      -0.651979     -1.276585      4.468267
  H      -1.761127     -1.421512      5.836631
  H      -2.139740     -3.298495      4.804215
  H      -6.533271     12.337639      4.079631
  H      -7.169857     11.728784      2.542491
  H      -5.910712     13.006111      2.536598
  H      -7.454759     10.139002      4.321397
  H      -7.779389      7.891713      5.344614
  H      -3.727094      5.384874      5.865558
  H      -4.315012      4.584852      4.419916
  H      -3.486167      8.985526      3.097042
  H      -9.440797     -4.932565      4.576180
  H      -8.224055     -6.249120      4.497732
  H      -8.476980     -5.148058      3.106989
  H      -9.275506     -2.922739      3.264051
  H      -9.365649     -0.461012      2.885129
  H      -6.177437      2.277074      5.427065
  H      -5.320303      1.712562      4.004258
  H      -5.785505     -2.383902      5.742846
  N      -1.591211      2.588035      3.067700
  N      -1.531357      3.585292      2.137498
  H      -1.899990      4.635414      3.655797
  H      -2.266448      3.533184      1.425529
  H      -0.613580      3.650789      1.688612
91
Coordinates from ORCA-job orca E -6562.685188119431
  N      -1.249497      0.582113      5.390765
  Mo     -2.305465      2.137671      4.671752
  N      -4.101675      2.262168      5.591509
  C      -4.136991      2.666863      6.991036
  C      -2.811793      2.306728      7.651685
  N      -1.683584      2.786018      6.797361
  C      -0.410425      2.072565      7.089004
  C      -0.528507      0.627757      6.650849
  C      -1.491056      4.256611      6.963142
  C      -1.189907      4.887436      5.621356
  N      -2.244168      4.474476      4.673544
  H       0.488265      0.202192      6.553557
  H      -1.046074      0.019678      7.420990
  H       0.373379      2.577936      6.507398
  H      -0.160639      2.156131      8.160102
  H      -1.117840      5.984191      5.704638
  H      -0.233307      4.521350      5.221698
  H      -2.412323      4.678566      7.384819
  H      -0.684255      4.453132      7.685273
  H      -4.934902      2.134049      7.533439
  H      -4.358127      3.748932      7.105180
  H      -2.746786      1.214201      7.710709
  H      -2.718739      2.729698      8.666447
  C      -3.880885     -6.920117      4.055152
  C      -3.061072     -5.679817      4.288103
  O      -2.088802     -5.669664      5.032910
  C      -3.489520     -4.408922      3.604800
  C      -4.483024     -4.361492      2.613431
  C      -4.860427     -3.152300      2.039155
  C      -4.265498     -1.978008      2.479039
  F      -4.666993     -0.824666      1.915671
  C      -3.268387     -1.975336      3.480931
  C      -2.688144     -0.747664      4.023744
  O      -3.169190      0.379190      3.750162
  C      -1.515681     -0.764964      4.951379
  C      -2.888123     -3.219905      4.011194
  C      -6.209056     12.141277      3.037945
  C      -5.118995     11.098142      3.006136
  O      -4.033441     11.318000      2.483627
  C      -5.394375      9.761245      3.638298
  C      -6.615383      9.452353      4.262693
  C      -6.820562      8.202080      4.837747
  C      -5.797947      7.263911      4.787756
  F      -6.038564      6.056360      5.360732
  C      -4.560294      7.522435      4.171925
  C      -3.415907      6.564903      4.076693
  O      -2.416080      6.842342      3.425110
  C      -3.497364      5.223334      4.797284
  C      -4.392717      8.791200      3.601261
  C      -8.428363     -5.252502      4.236326
  C      -7.359614     -4.336280      4.779500
  O      -6.384611     -4.781150      5.377910
  C      -7.503617     -2.861571      4.552279
  C      -8.528211     -2.320167      3.756085
  C      -8.600103     -0.950206      3.533656
  C      -7.643834     -0.122693      4.109666
  F      -7.752406      1.205996      3.870481
  C      -6.606784     -0.610916      4.922573
  C      -5.522264      0.216836      5.549488
  O      -4.771831     -0.295804      6.373446
  C      -5.323003      1.676281      5.106655
  C      -6.568983     -1.997328      5.127090
  H      -3.445799     -7.754943      4.613719
  H      -4.911866     -6.738705      4.397382
  H      -3.922457     -7.173909      2.985543
  H      -4.974020     -5.276155      2.281480
  H      -5.622396     -3.097724      1.261729
  H      -0.658133     -1.252322      4.437270
  H      -1.752176     -1.421090      5.814960
  H      -2.127259     -3.288638      4.788556
  H      -6.488421     12.378202      4.075692
  H      -7.114859     11.772336      2.533578
  H      -5.854666     13.048305      2.537913
  H      -7.418620     10.187507      4.305907
  H      -7.760321      7.941664      5.324419
  H      -3.748885      5.385182      5.854241
  H      -4.323085      4.625131      4.384411
  H      -3.444432      9.023323      3.114396
  H      -9.421466     -4.969230      4.614602
  H      -8.202566     -6.282943      4.529397
  H      -8.469418     -5.185653      3.138004
  H      -9.277077     -2.966502      3.298598
  H      -9.385351     -0.506864      2.921284
  H      -6.213714      2.247142      5.437538
  H      -5.358070      1.697950      4.007147
  H      -5.770680     -2.407693      5.746464
  N      -1.632995      2.575787      3.055122
  N      -1.573541      3.560435      2.106809
  H      -1.864321      4.613248      3.682400
  H      -2.343447      3.543918      1.431440
  H      -0.678387      3.582625      1.609828
91
Coordinates from ORCA-job orca E -6562.683265945471
  N      -1.241696      0.572346      5.414335
  Mo     -2.297594      2.138272      4.698748
  N      -4.097127      2.280808      5.621419
  C      -4.118846      2.660154      7.033640
  C      -2.796678      2.283311      7.680051
  N      -1.664321      2.775933      6.832896
  C      -0.393294      2.051662      7.114218
  C      -0.519870      0.610409      6.667289
  C      -1.463690      4.245441      7.006939
  C      -1.160492      4.894068      5.671805
  N      -2.208114      4.477965      4.717282
  H       0.495202      0.179066      6.570915
  H      -1.034043      0.001887      7.440057
  H       0.394534      2.560866      6.542245
  H      -0.139848      2.118187      8.186182
  H      -1.104704      5.990336      5.768183
  H      -0.197542      4.542739      5.275347
  H      -2.382200      4.667742      7.433533
  H      -0.659302      4.433864      7.734343
  H      -4.919101      2.127205      7.572077
  H      -4.326613      3.739760      7.170676
  H      -2.734065      1.189701      7.717786
  H      -2.699932      2.684031      8.703877
  C      -3.944429     -6.897769      3.952483
  C      -3.126367     -5.662249      4.211703
  O      -2.146672     -5.675859      4.948577
  C      -3.547777     -4.378024      3.553736
  C      -4.543840     -4.314055      2.567229
  C      -4.909813     -3.088260      2.012990
  C      -4.301804     -1.927135      2.468978
  F      -4.694306     -0.764449      1.918257
  C      -3.302487     -1.939247      3.468351
  C      -2.705379     -0.727582      4.024429
  O      -3.174646      0.402483      3.761521
  C      -1.526137     -0.762293      4.947287
  C      -2.938061     -3.198604      3.973567
  C      -6.259864     12.088682      2.915784
  C      -5.159340     11.057929      2.916363
  O      -4.075684     11.279131      2.388784
  C      -5.417156      9.735562      3.583140
  C      -6.633098      9.430593      4.221563
  C      -6.821427      8.192662      4.828041
  C      -5.786571      7.266064      4.794520
  F      -6.004157      6.067321      5.389935
  C      -4.554362      7.519323      4.167310
  C      -3.408384      6.564104      4.095448
  O      -2.418291      6.833803      3.431013
  C      -3.472008      5.231309      4.840623
  C      -4.404734      8.777561      3.563959
  C      -8.351485     -5.264332      4.249334
  C      -7.301344     -4.326763      4.792540
  O      -6.319765     -4.756666      5.393467
  C      -7.473761     -2.855145      4.574555
  C      -8.514426     -2.325159      3.789971
  C      -8.607127     -0.953330      3.578198
  C      -7.654371     -0.115930      4.152827
  F      -7.784598      1.211464      3.924258
  C      -6.603021     -0.593682      4.951578
  C      -5.509148      0.234421      5.576739
  O      -4.765622     -0.280067      6.401694
  C      -5.315832      1.689869      5.136565
  C      -6.549071     -1.980391      5.145597
  H      -3.503393     -7.742050      4.492132
  H      -4.980924     -6.737224      4.289581
  H      -3.985557     -7.131973      2.877141
  H      -5.041052     -5.222428      2.227065
  H      -5.672844     -3.015876      1.238012
  H      -0.676622     -1.242126      4.411562
  H      -1.756328     -1.438533      5.796912
  H      -2.174462     -3.281455      4.748067
  H      -6.549190     12.354168      3.944419
  H      -7.162482     11.698028      2.420813
  H      -5.913649     12.984782      2.390968
  H      -7.442109     10.160524      4.248178
  H      -7.756129      7.932389      5.325238
  H      -3.743665      5.393439      5.887005
  H      -4.289990      4.628229      4.427770
  H      -3.461921      9.009405      3.066314
  H      -9.351160     -5.006868      4.630315
  H      -8.102670     -6.291520      4.535399
  H      -8.402025     -5.194053      3.151015
  H      -9.256717     -2.981579      3.335339
  H      -9.405762     -0.520232      2.975940
  H      -6.209381      2.258924      5.465054
  H      -5.353062      1.715640      4.036011
  H      -5.739683     -2.385618      5.754699
  N      -1.596871      2.599933      3.103174
  N      -1.513408      3.561999      2.154549
  H      -1.885752      4.621388      3.805103
  H      -2.268682      3.525432      1.458676
  H      -0.601706      3.551469      1.680904
91
Coordinates from ORCA-job orca E -6562.685662662258
  N      -1.261815      0.578761      5.398100
  Mo     -2.319361      2.137858      4.681099
  N      -4.116720      2.282474      5.601709
  C      -4.145850      2.669663      7.008859
  C      -2.824614      2.292756      7.663289
  N      -1.694702      2.780444      6.815932
  C      -0.423057      2.062696      7.103021
  C      -0.542601      0.619940      6.656870
  C      -1.503152      4.249589      6.989826
  C      -1.191593      4.893021      5.656022
  N      -2.234062      4.480962      4.693343
  H       0.474756      0.194274      6.560974
  H      -1.058574      0.008458      7.425874
  H       0.363702      2.571839      6.528921
  H      -0.173745      2.135694      8.175345
  H      -1.130169      5.989272      5.749553
  H      -0.228567      4.536883      5.263350
  H      -2.426863      4.669647      7.408066
  H      -0.703307      4.443021      7.720684
  H      -4.947466      2.138353      7.546934
  H      -4.356955      3.751347      7.137031
  H      -2.764212      1.199176      7.705616
  H      -2.730203      2.699099      8.684942
  C      -3.896942     -6.915470      3.991723
  C      -3.079714     -5.675483      4.234729
  O      -2.100582     -5.674342      4.971389
  C      -3.513261     -4.397588      3.569440
  C      -4.511803     -4.342395      2.583918
  C      -4.890314     -3.125710      2.023366
  C      -4.291700     -1.956549      2.471862
  F      -4.694473     -0.798400      1.919488
  C      -3.290398     -1.960792      3.469654
  C      -2.705097     -0.739726      4.019351
  O      -3.187593      0.387918      3.756355
  C      -1.524337     -0.761822      4.937648
  C      -2.910677     -3.212239      3.984327
  C      -6.199985     12.144561      2.988666
  C      -5.105816     11.105773      2.981329
  O      -4.013850     11.327373      2.472479
  C      -5.383262      9.771996      3.618794
  C      -6.609208      9.463897      4.234354
  C      -6.816302      8.216082      4.814382
  C      -5.790273      7.280535      4.777567
  F      -6.030972      6.074024      5.350674
  C      -4.547729      7.537711      4.171522
  C      -3.403683      6.579688      4.092069
  O      -2.396125      6.861148      3.455178
  C      -3.491905      5.231995      4.804554
  C      -4.378425      8.804771      3.595458
  C      -8.359685     -5.280006      4.259272
  C      -7.307631     -4.345889      4.805222
  O      -6.325577     -4.776495      5.403399
  C      -7.476002     -2.873473      4.582511
  C      -8.514525     -2.345284      3.795004
  C      -8.607577     -0.975182      3.577520
  C      -7.657596     -0.135647      4.148989
  F      -7.787796      1.191345      3.914568
  C      -6.607284     -0.610706      4.951946
  C      -5.522950      0.226443      5.572620
  O      -4.771605     -0.279010      6.398692
  C      -5.334553      1.683218      5.123403
  C      -6.550253     -1.996864      5.152409
  H      -3.455450     -7.754402      4.539174
  H      -4.929486     -6.745510      4.336019
  H      -3.941139     -7.159190      2.919327
  H      -5.003991     -5.254756      2.246992
  H      -5.655545     -3.063358      1.249651
  H      -0.669610     -1.232260      4.402315
  H      -1.743598     -1.436906      5.790833
  H      -2.145835     -3.287380      4.757566
  H      -6.497892     12.389032      4.019790
  H      -7.097483     11.769056      2.473700
  H      -5.841416     13.049164      2.487186
  H      -7.413851     10.198430      4.265462
  H      -7.759787      7.955322      5.294019
  H      -3.770216      5.375605      5.855229
  H      -4.306938      4.638124      4.366724
  H      -3.426655      9.037487      3.115646
  H      -9.358115     -5.018615      4.640140
  H      -8.113949     -6.307682      4.546177
  H      -8.405922     -5.208650      3.161147
  H      -9.257013     -3.001917      3.341351
  H      -9.404646     -0.542570      2.972713
  H      -6.228830      2.250033      5.452193
  H      -5.373157      1.700894      4.023536
  H      -5.741560     -2.398235      5.764528
  N      -1.633380      2.591268      3.080359
  N      -1.553892      3.524587      2.093906
  H      -1.855612      4.681027      3.700827
  H      -2.324468      3.485769      1.418289
  H      -0.656878      3.496253      1.598122
91
Coordinates from ORCA-job orca E -6562.686895773528
  N      -1.273589      0.584336      5.385351
  Mo     -2.337041      2.131080      4.666160
  N      -4.136267      2.293799      5.575823
  C      -4.175460      2.694349      6.978518
  C      -2.863349      2.309183      7.649238
  N      -1.725778      2.785242      6.809379
  C      -0.456982      2.068060      7.104702
  C      -0.571860      0.625580      6.657297
  C      -1.532370      4.253021      6.978403
  C      -1.196113      4.883373      5.644274
  N      -2.233654      4.484015      4.669013
  H       0.445481      0.198230      6.574030
  H      -1.102658      0.014900      7.416355
  H       0.331859      2.575619      6.531631
  H      -0.211606      2.142242      8.177901
  H      -1.115549      5.978950      5.733474
  H      -0.233564      4.509399      5.266819
  H      -2.461443      4.680675      7.376837
  H      -0.743263      4.448848      7.720420
  H      -4.987719      2.175856      7.512750
  H      -4.378141      3.779421      7.093345
  H      -2.814348      1.215223      7.696872
  H      -2.776557      2.719312      8.670212
  C      -3.865467     -6.929388      4.004498
  C      -3.048345     -5.687437      4.239053
  O      -2.074834     -5.677857      4.982673
  C      -3.485766     -4.413259      3.568274
  C      -4.483185     -4.363329      2.581082
  C      -4.867832     -3.150472      2.017448
  C      -4.276107     -1.977498      2.464467
  F      -4.684662     -0.821475      1.911866
  C      -3.275605     -1.976973      3.463168
  C      -2.700287     -0.751366      4.013570
  O      -3.197797      0.372067      3.761819
  C      -1.515052     -0.761352      4.924506
  C      -2.888796     -3.224389      3.981820
  C      -6.176625     12.167352      3.011809
  C      -5.086548     11.123651      2.993615
  O      -4.000867     11.338178      2.468780
  C      -5.361344      9.793721      3.640589
  C      -6.581665      9.492627      4.270539
  C      -6.786985      8.247885      4.857361
  C      -5.765888      7.307395      4.812572
  F      -6.008705      6.105234      5.394581
  C      -4.528011      7.558215      4.193214
  C      -3.386644      6.597718      4.102294
  O      -2.376063      6.882971      3.470841
  C      -3.482834      5.239903      4.790206
  C      -4.360478      8.822463      3.611252
  C      -8.362077     -5.293110      4.286269
  C      -7.307294     -4.356406      4.823066
  O      -6.324091     -4.783458      5.421483
  C      -7.475176     -2.885572      4.588344
  C      -8.513877     -2.364275      3.796480
  C      -8.608978     -0.996231      3.569167
  C      -7.661836     -0.150808      4.135167
  F      -7.794103      1.174314      3.890844
  C      -6.611937     -0.618157      4.943338
  C      -5.536207      0.228240      5.563264
  O      -4.781376     -0.269744      6.391575
  C      -5.351932      1.682977      5.102364
  C      -6.551205     -2.003136      5.153095
  H      -3.424718     -7.764788      4.557923
  H      -4.896143     -6.754418      4.351777
  H      -3.911209     -7.179981      2.934034
  H      -4.971566     -5.277957      2.244690
  H      -5.633242     -3.094200      1.243409
  H      -0.654767     -1.216141      4.385622
  H      -1.720962     -1.439597      5.778042
  H      -2.126495     -3.294050      4.757931
  H      -6.458427     12.417141      4.046131
  H      -7.082107     11.793125      2.510203
  H      -5.821180     13.068373      2.501669
  H      -7.383318     10.230120      4.307490
  H      -7.725890      7.992825      5.348850
  H      -3.755332      5.370299      5.845854
  H      -4.305021      4.660028      4.343981
  H      -3.412587      9.049244      3.120979
  H      -9.359196     -5.026312      4.666669
  H      -8.117928     -6.318669      4.582040
  H      -8.408545     -5.231143      3.187643
  H      -9.255062     -3.024759      3.346449
  H      -9.406154     -0.569037      2.960533
  H      -6.247650      2.249124      5.426930
  H      -5.389735      1.689936      4.002710
  H      -5.742772     -2.398110      5.769661
  N      -1.663859      2.565788      3.048985
  N      -1.582493      3.504512      2.059067
  H      -1.872491      4.654828      3.702551
  H      -2.369133      3.488621      1.402568
  H      -0.698464      3.450529      1.544562
91
Coordinates from ORCA-job orca E -6562.686839768381
  N      -1.272069      0.580478      5.389936
  Mo     -2.344746      2.132910      4.683205
  N      -4.141999      2.300068      5.608787
  C      -4.165049      2.683034      7.018203
  C      -2.849482      2.287949      7.674136
  N      -1.714203      2.773568      6.833785
  C      -0.445794      2.050656      7.113633
  C      -0.567299      0.612307      6.657605
  C      -1.513466      4.239736      7.014206
  C      -1.183986      4.887718      5.687152
  N      -2.227890      4.497422      4.717149
  H       0.448806      0.181469      6.572840
  H      -1.096974     -0.000018      7.416429
  H       0.341459      2.560978      6.541076
  H      -0.191198      2.113742      8.185659
  H      -1.104841      5.982125      5.788011
  H      -0.223833      4.519277      5.298558
  H      -2.437352      4.665906      7.425517
  H      -0.719472      4.426709      7.753333
  H      -4.975823      2.164834      7.555006
  H      -4.359968      3.767418      7.148605
  H      -2.801807      1.193418      7.706803
  H      -2.755226      2.683862      8.700300
  C      -3.868351     -6.927244      3.946332
  C      -3.063116     -5.681463      4.200367
  O      -2.079359     -5.679733      4.930812
  C      -3.509121     -4.401426      3.547833
  C      -4.513661     -4.344756      2.568504
  C      -4.903896     -3.125564      2.021323
  C      -4.310522     -1.956584      2.476409
  F      -4.724250     -0.796487      1.936118
  C      -3.302895     -1.962198      3.467993
  C      -2.722269     -0.741484      4.022491
  O      -3.226616      0.382105      3.785936
  C      -1.520819     -0.757373      4.912763
  C      -2.911982     -3.215632      3.969345
  C      -6.186047     12.158722      2.935051
  C      -5.087085     11.124790      2.950706
  O      -3.992879     11.344408      2.445890
  C      -5.362233      9.799483      3.606112
  C      -6.591023      9.494153      4.217398
  C      -6.795829      8.253293      4.812975
  C      -5.765982      7.321624      4.794829
  F      -6.006367      6.122368      5.382847
  C      -4.519727      7.576326      4.194840
  C      -3.372387      6.622901      4.134455
  O      -2.351213      6.913740      3.522539
  C      -3.476135      5.263793      4.821929
  C      -4.352486      8.836999      3.604003
  C      -8.313382     -5.301454      4.263731
  C      -7.270453     -4.357639      4.811729
  O      -6.284492     -4.780247      5.409057
  C      -7.455274     -2.886944      4.594520
  C      -8.500403     -2.367671      3.809429
  C      -8.609168     -0.997806      3.598551
  C      -7.669056     -0.149436      4.172996
  F      -7.816308      1.176719      3.943860
  C      -6.613011     -0.615029      4.973747
  C      -5.539265      0.231992      5.598831
  O      -4.794962     -0.262568      6.437657
  C      -5.356680      1.685762      5.139042
  C      -6.540277     -2.001378      5.168278
  H      -3.413966     -7.768283      4.479759
  H      -4.899919     -6.773366      4.300604
  H      -3.917554     -7.157721      2.871238
  H      -5.001927     -5.257529      2.227080
  H      -5.674475     -3.061886      1.253107
  H      -0.671916     -1.201794      4.346534
  H      -1.704478     -1.451919      5.757918
  H      -2.143435     -3.292011      4.738706
  H      -6.493235     12.416929      3.960076
  H      -7.077802     11.771568      2.418698
  H      -5.827821     13.057544      2.423162
  H      -7.398928     10.225556      4.232429
  H      -7.740898      7.994791      5.290588
  H      -3.767788      5.387800      5.871083
  H      -4.293506      4.687813      4.362436
  H      -3.398201      9.068141      3.128496
  H      -9.314465     -5.051658      4.645518
  H      -8.057208     -6.327221      4.548176
  H      -8.360991     -5.228231      3.165842
  H      -9.234900     -3.030903      3.352657
  H      -9.411968     -0.572322      2.996290
  H      -6.253156      2.250926      5.464338
  H      -5.399089      1.693684      4.039269
  H      -5.727155     -2.395911      5.779006
  N      -1.698365      2.578838      3.070593
  N      -1.613894      3.463863      2.047065
  H      -1.830255      4.687516      3.747323
  H      -2.429247      3.458327      1.425237
  H      -0.755166      3.348087      1.499723
91
Coordinates from ORCA-job orca E -6562.686572055981
  N      -1.258217      0.575443      5.409605
  Mo     -2.342624      2.133814      4.713577
  N      -4.137663      2.310726      5.658540
  C      -4.135215      2.673242      7.078078
  C      -2.815082      2.270418      7.714312
  N      -1.679595      2.763237      6.871704
  C      -0.412706      2.030061      7.131087
  C      -0.545533      0.597713      6.667420
  C      -1.461267      4.228560      7.053244
  C      -1.145122      4.890960      5.728425
  N      -2.202663      4.504850      4.775370
  H       0.467977      0.160036      6.576467
  H      -1.070335     -0.012917      7.431560
  H       0.373396      2.541545      6.558394
  H      -0.144762      2.079931      8.201094
  H      -1.067021      5.984139      5.838808
  H      -0.189856      4.526838      5.323022
  H      -2.376093      4.658318      7.480521
  H      -0.659472      4.403436      7.787367
  H      -4.944661      2.158968      7.620678
  H      -4.316249      3.757126      7.225038
  H      -2.768920      1.175200      7.733671
  H      -2.710087      2.653035      8.744938
  C      -3.896579     -6.916313      3.884364
  C      -3.100821     -5.669200      4.161251
  O      -2.107938     -5.681418      4.880835
  C      -3.547551     -4.380540      3.529031
  C      -4.557313     -4.313861      2.556853
  C      -4.946702     -3.084066      2.028298
  C      -4.347089     -1.922972      2.495386
  F      -4.759144     -0.757652      1.968412
  C      -3.332962     -1.936951      3.481526
  C      -2.742997     -0.727507      4.041790
  O      -3.248875      0.397403      3.819065
  C      -1.525692     -0.751770      4.913364
  C      -2.945960     -3.200985      3.960935
  C      -6.238547     12.100625      2.813861
  C      -5.133716     11.074555      2.854569
  O      -4.045190     11.287702      2.333712
  C      -5.391323      9.768505      3.552707
  C      -6.610662      9.472121      4.186343
  C      -6.797864      8.247360      4.821000
  C      -5.759560      7.324403      4.818111
  F      -5.978684      6.139817      5.439835
  C      -4.522993      7.569071      4.198563
  C      -3.369702      6.623169      4.155787
  O      -2.360730      6.909849      3.519543
  C      -3.451800      5.281683      4.882370
  C      -4.372248      8.814772      3.567773
  C      -8.256836     -5.287383      4.198533
  C      -7.233502     -4.333259      4.767188
  O      -6.244980     -4.750583      5.365239
  C      -7.439091     -2.863284      4.574738
  C      -8.488401     -2.343756      3.795412
  C      -8.611791     -0.970359      3.608081
  C      -7.680087     -0.122020      4.199819
  F      -7.844271      1.204870      3.992260
  C      -6.620381     -0.588972      4.994016
  C      -5.544466      0.250537      5.634195
  O      -4.815192     -0.251914      6.478136
  C      -5.354848      1.703182      5.186339
  C      -6.536101     -1.976883      5.166092
  H      -3.430337     -7.763595      4.397364
  H      -4.931709     -6.786945      4.239540
  H      -3.947889     -7.126363      2.804387
  H      -5.047442     -5.223362      2.209077
  H      -5.720834     -3.008588      1.264816
  H      -0.690140     -1.186957      4.319205
  H      -1.689783     -1.462985      5.747690
  H      -2.171733     -3.287910      4.723853
  H      -6.543411     12.391532      3.831227
  H      -7.133142     11.693234      2.317330
  H      -5.889416     12.984588      2.270819
  H      -7.423365     10.198845      4.187481
  H      -7.735255      7.994641      5.316782
  H      -3.742817      5.424922      5.926397
  H      -4.274627      4.695540      4.445036
  H      -3.425516      9.040663      3.075396
  H      -9.265462     -5.063366      4.577987
  H      -7.984320     -6.313410      4.466153
  H      -8.303921     -5.197482      3.101575
  H      -9.213260     -3.008919      3.325767
  H      -9.418841     -0.545218      3.011487
  H      -6.249011      2.271126      5.513651
  H      -5.400703      1.721063      4.085954
  H      -5.719785     -2.374052      5.771099
  N      -1.712920      2.582478      3.109064
  N      -1.634658      3.415568      2.065819
  H      -1.807475      4.702248      3.836468
  H      -2.479914      3.416282      1.481214
  H      -0.800854      3.239027      1.493221
91
Coordinates from ORCA-job orca E -6562.687836208070
  N      -1.288814      0.588007      5.394949
  Mo     -2.379580      2.131683      4.694971
  N      -4.176437      2.318873      5.620300
  C      -4.189144      2.693700      7.035928
  C      -2.876286      2.288755      7.690140
  N      -1.734620      2.772888      6.856775
  C      -0.469252      2.044272      7.131675
  C      -0.590881      0.610987      6.664677
  C      -1.523451      4.237218      7.034271
  C      -1.174965      4.883208      5.710167
  N      -2.214763      4.504923      4.729819
  H       0.424906      0.178472      6.581832
  H      -1.124567     -0.004678      7.418027
  H       0.320414      2.557320      6.565174
  H      -0.213727      2.096651      8.204384
  H      -1.084365      5.976301      5.813907
  H      -0.216105      4.504314      5.328561
  H      -2.449197      4.670748      7.433751
  H      -0.738853      4.419325      7.785001
  H      -5.005689      2.183841      7.571482
  H      -4.371057      3.779263      7.169927
  H      -2.834725      1.193426      7.715306
  H      -2.782409      2.676894      8.719534
  C      -3.841321     -6.930040      3.906825
  C      -3.042769     -5.679998      4.161004
  O      -2.052493     -5.678086      4.883245
  C      -3.500625     -4.398647      3.520717
  C      -4.510627     -4.344102      2.547729
  C      -4.913640     -3.122452      2.012977
  C      -4.328028     -1.952660      2.476010
  F      -4.752566     -0.792344      1.946499
  C      -3.315065     -1.955512      3.462688
  C      -2.742794     -0.736571      4.024446
  O      -3.265809      0.382801      3.809847
  C      -1.524032     -0.744383      4.893778
  C      -2.911304     -3.211328      3.948537
  C      -6.158544     12.168094      2.890515
  C      -5.066517     11.127542      2.909355
  O      -3.978246     11.332630      2.385462
  C      -5.339005      9.815068      3.590420
  C      -6.560610      9.526059      4.223386
  C      -6.763092      8.295613      4.841178
  C      -5.737804      7.358488      4.822506
  F      -5.974562      6.168582      5.429218
  C      -4.498841      7.596874      4.203397
  C      -3.355745      6.637740      4.143653
  O      -2.336478      6.925162      3.526033
  C      -3.459122      5.283430      4.838385
  C      -4.333264      8.848129      3.589968
  C      -8.253249     -5.325706      4.264542
  C      -7.228849     -4.364307      4.817375
  O      -6.236536     -4.771815      5.415142
  C      -7.436767     -2.896860      4.602895
  C      -8.489796     -2.391561      3.819572
  C      -8.619051     -1.022211      3.612336
  C      -7.689786     -0.161987      4.188808
  F      -7.857966      1.162145      3.964079
  C      -6.626350     -0.614383      4.986787
  C      -5.559384      0.242622      5.615357
  O      -4.812776     -0.247047      6.453402
  C      -5.388785      1.694867      5.155573
  C      -6.534282     -1.999494      5.178019
  H      -3.375123     -7.770258      4.431297
  H      -4.872487     -6.789844      4.268560
  H      -3.898787     -7.155906      2.830889
  H      -4.991853     -5.259054      2.202109
  H      -5.688170     -3.059252      1.248793
  H      -0.677686     -1.157100      4.299820
  H      -1.674562     -1.460227      5.726456
  H      -2.137452     -3.286630      4.712817
  H      -6.452387     12.446821      3.914237
  H      -7.060244     11.779206      2.392599
  H      -5.800891     13.055556      2.358807
  H      -7.363753     10.262910      4.237347
  H      -7.702373      8.048809      5.336168
  H      -3.752571      5.408891      5.885492
  H      -4.282454      4.713165      4.381805
  H      -3.384432      9.067659      3.098680
  H      -9.260057     -5.096209      4.644564
  H      -7.979279     -6.347693      4.545953
  H      -8.301910     -5.250406      3.166729
  H      -9.214474     -3.065165      3.362077
  H      -9.429176     -0.607937      3.012263
  H      -6.287362      2.254521      5.484502
  H      -5.436511      1.704816      4.055684
  H      -5.715200     -2.384379      5.786977
  N      -1.746200      2.557335      3.075214
  N      -1.682951      3.385300      2.014072
  H      -1.824298      4.705213      3.785436
  H      -2.541573      3.402492      1.451516
  H      -0.868638      3.191884      1.421023
91
Coordinates from ORCA-job orca E -6562.688274181442
  N      -1.291230      0.589126      5.389940
  Mo     -2.380725      2.127554      4.687082
  N      -4.176421      2.334210      5.599608
  C      -4.199088      2.723940      7.009848
  C      -2.898004      2.305500      7.681671
  N      -1.746349      2.774576      6.859731
  C      -0.488613      2.038594      7.144670
  C      -0.611230      0.606418      6.672328
  C      -1.528393      4.236171      7.035214
  C      -1.165851      4.873407      5.711298
  N      -2.204780      4.504999      4.725597
  H       0.403256      0.169545      6.601117
  H      -1.160529     -0.009399      7.414134
  H       0.308272      2.547607      6.584173
  H      -0.240966      2.088201      8.219363
  H      -1.063057      5.965871      5.813638
  H      -0.208384      4.483695      5.336362
  H      -2.454713      4.677967      7.424786
  H      -0.747587      4.416977      7.790400
  H      -5.027553      2.229206      7.541011
  H      -4.368724      3.813642      7.129655
  H      -2.868300      1.209727      7.712784
  H      -2.814633      2.697672      8.710515
  C      -3.831940     -6.937742      3.913186
  C      -3.029777     -5.688979      4.164359
  O      -2.043927     -5.684845      4.892261
  C      -3.484084     -4.408747      3.517892
  C      -4.490225     -4.354630      2.540501
  C      -4.892220     -3.134824      2.001688
  C      -4.309385     -1.963882      2.465398
  F      -4.734084     -0.803650      1.935175
  C      -3.299896     -1.967136      3.455333
  C      -2.732538     -0.745615      4.019080
  O      -3.262625      0.370376      3.811032
  C      -1.514070     -0.746686      4.887282
  C      -2.895993     -3.220555      3.946047
  C      -6.166515     12.155569      2.891627
  C      -5.075569     11.113146      2.899781
  O      -3.997445     11.309842      2.352310
  C      -5.337931      9.807982      3.599746
  C      -6.549390      9.526980      4.255439
  C      -6.742925      8.303287      4.889021
  C      -5.719173      7.364473      4.863984
  F      -5.950220      6.182305      5.488486
  C      -4.489264      7.595649      4.223078
  C      -3.344071      6.637235      4.155153
  O      -2.337772      6.914399      3.511741
  C      -3.442553      5.284799      4.851550
  C      -4.333302      8.839843      3.593995
  C      -8.262267     -5.316258      4.282970
  C      -7.232169     -4.355899      4.827063
  O      -6.245959     -4.762382      5.435208
  C      -7.434797     -2.888629      4.601710
  C      -8.482196     -2.386136      3.808923
  C      -8.607196     -1.018320      3.590783
  C      -7.680201     -0.155921      4.166678
  F      -7.841673      1.167164      3.931323
  C      -6.623351     -0.604786      4.975108
  C      -5.563163      0.257737      5.604432
  O      -4.824098     -0.224048      6.454504
  C      -5.388539      1.708050      5.134066
  C      -6.534003     -1.989010      5.176621
  H      -3.370964     -7.777720      4.442768
  H      -4.862022     -6.789407      4.274855
  H      -3.888409     -7.167589      2.838290
  H      -4.970513     -5.269693      2.193655
  H      -5.664351     -3.073392      1.234758
  H      -0.663687     -1.150011      4.293511
  H      -1.659371     -1.464079      5.719541
  H      -2.126142     -3.294270      4.714522
  H      -6.438678     12.445030      3.918393
  H      -7.077969     11.762716      2.415051
  H      -5.817943     13.036958      2.343797
  H      -7.351999     10.264389      4.274881
  H      -7.674354      8.062734      5.401765
  H      -3.712985      5.415788      5.906428
  H      -4.277995      4.716216      4.413099
  H      -3.391939      9.053178      3.085533
  H      -9.267959     -5.074951      4.658721
  H      -7.995884     -6.336752      4.577154
  H      -8.306912     -5.253133      3.184203
  H      -9.205784     -3.061028      3.351460
  H      -9.412368     -0.606103      2.982410
  H      -6.287264      2.271338      5.455702
  H      -5.429705      1.709767      4.034402
  H      -5.719528     -2.370840      5.793727
  N      -1.762164      2.543637      3.053898
  N      -1.724299      3.372810      1.985104
  H      -1.833151      4.696442      3.788662
  H      -2.602017      3.408756      1.455744
  H      -0.936441      3.169108      1.362617
91
Coordinates from ORCA-job orca E -6562.688454503702
  N      -1.324342      0.597785      5.385959
  Mo     -2.420609      2.126883      4.681471
  N      -4.214247      2.342269      5.587239
  C      -4.239718      2.742755      6.994212
  C      -2.942371      2.324128      7.674787
  N      -1.786074      2.784022      6.856806
  C      -0.532691      2.044927      7.149662
  C      -0.654702      0.613091      6.675456
  C      -1.562905      4.244484      7.025446
  C      -1.186858      4.868880      5.698861
  N      -2.221818      4.505785      4.705080
  H       0.359262      0.174779      6.610609
  H      -1.211743     -0.002920      7.410951
  H       0.268728      2.551533      6.593332
  H      -0.291389      2.094303      8.225782
  H      -1.074221      5.961179      5.795396
  H      -0.230595      4.467848      5.333396
  H      -2.489678      4.694491      7.404377
  H      -0.786417      4.426614      7.784843
  H      -5.071840      2.254379      7.525337
  H      -4.406391      3.833725      7.103759
  H      -2.916905      1.228481      7.712074
  H      -2.864761      2.721460      8.702181
  C      -3.788371     -6.953257      3.908572
  C      -2.996347     -5.697488      4.157280
  O      -2.016701     -5.680981      4.892850
  C      -3.467167     -4.420914      3.515017
  C      -4.475459     -4.375150      2.539293
  C      -4.892064     -3.159681      2.002985
  C      -4.321484     -1.983119      2.467432
  F      -4.758985     -0.826117      1.939839
  C      -3.310335     -1.978349      3.455342
  C      -2.754068     -0.750551      4.018691
  O      -3.298523      0.360595      3.818562
  C      -1.529420     -0.739760      4.878166
  C      -2.891232     -3.227115      3.944664
  C      -6.085980     12.210430      2.924947
  C      -5.016950     11.145522      2.906203
  O      -3.947975     11.319921      2.334109
  C      -5.290649      9.845394      3.611582
  C      -6.493286      9.588659      4.293060
  C      -6.698344      8.368896      4.930204
  C      -5.694963      7.409278      4.883321
  F      -5.937751      6.232189      5.513783
  C      -4.474569      7.616212      4.215796
  C      -3.349745      6.635656      4.122511
  O      -2.342130      6.900888      3.476757
  C      -3.452940      5.292912      4.833273
  C      -4.306545      8.857111      3.584385
  C      -8.194730     -5.357945      4.290352
  C      -7.187335     -4.381754      4.848031
  O      -6.195007     -4.772501      5.456168
  C      -7.408433     -2.918032      4.614678
  C      -8.457163     -2.433331      3.812798
  C      -8.600247     -1.068624      3.587843
  C      -7.689481     -0.190869      4.165467
  F      -7.867045      1.129425      3.923902
  C      -6.632011     -0.621907      4.982940
  C      -5.589756      0.258922      5.614326
  O      -4.844128     -0.209724      6.466731
  C      -5.425215      1.706472      5.130150
  C      -6.523722     -2.003776      5.191274
  H      -3.322726     -7.787978      4.442312
  H      -4.819780     -6.810552      4.268411
  H      -3.840588     -7.186670      2.834493
  H      -4.946317     -5.294368      2.190603
  H      -5.665894     -3.105636      1.237211
  H      -0.675995     -1.126135      4.278225
  H      -1.659606     -1.462690      5.707890
  H      -2.118947     -3.293735      4.711201
  H      -6.327275     12.503317      3.958329
  H      -7.015931     11.837230      2.469046
  H      -5.731987     13.085369      2.370288
  H      -7.280136     10.342051      4.330343
  H      -7.623179      8.147221      5.462905
  H      -3.708054      5.440103      5.890708
  H      -4.297750      4.725428      4.411542
  H      -3.372073      9.051311      3.055933
  H      -9.207539     -5.135674      4.658152
  H      -7.912706     -6.374591      4.583274
  H      -8.229849     -5.291039      3.191487
  H      -9.168298     -3.120003      3.353464
  H      -9.407018     -0.670014      2.972551
  H      -6.325328      2.267269      5.451559
  H      -5.469064      1.699371      4.030921
  H      -5.707967     -2.371276      5.815226
  N      -1.814240      2.519906      3.033577
  N      -1.811450      3.328666      1.946499
  H      -1.851227      4.693476      3.765973
  H      -2.712923      3.386891      1.462444
  H      -1.060515      3.099585      1.289245
91
Coordinates from ORCA-job orca E -6562.688446953647
  N      -1.340057      0.600960      5.385860
  Mo     -2.443290      2.129380      4.692670
  N      -4.233729      2.349516      5.600055
  C      -4.258120      2.752236      7.005798
  C      -2.964583      2.324241      7.689697
  N      -1.803850      2.778680      6.876811
  C      -0.556201      2.030386      7.168941
  C      -0.682415      0.602774      6.682525
  C      -1.570793      4.236152      7.052429
  C      -1.188233      4.861054      5.728112
  N      -2.225125      4.511682      4.731085
  H       0.329573      0.159434      6.623669
  H      -1.249722     -0.016085      7.407430
  H       0.250485      2.536564      6.619819
  H      -0.318835      2.070168      8.246371
  H      -1.066031      5.952250      5.828349
  H      -0.235269      4.452481      5.362971
  H      -2.494253      4.692208      7.432114
  H      -0.793353      4.410609      7.812700
  H      -5.094177      2.270354      7.536617
  H      -4.417514      3.844282      7.113066
  H      -2.946409      1.228461      7.725054
  H      -2.889381      2.718598      8.718541
  C      -3.756803     -6.953624      3.848347
  C      -2.973337     -5.694986      4.108854
  O      -1.992413     -5.678821      4.842407
  C      -3.452790     -4.416402      3.477145
  C      -4.461511     -4.368575      2.501859
  C      -4.887719     -3.151549      1.977456
  C      -4.326600     -1.975143      2.453319
  F      -4.773010     -0.816156      1.936591
  C      -3.315349     -1.972888      3.441043
  C      -2.767224     -0.745661      4.014904
  O      -3.324906      0.362398      3.832900
  C      -1.534537     -0.732651      4.862427
  C      -2.885517     -3.222588      3.918008
  C      -6.055931     12.211866      2.871919
  C      -4.991549     11.142093      2.862200
  O      -3.924801     11.303474      2.282397
  C      -5.267917      9.853239      3.586953
  C      -6.469530      9.610691      4.275506
  C      -6.677254      8.400919      4.930440
  C      -5.677738      7.437020      4.894613
  F      -5.923424      6.270062      5.543083
  C      -4.458332      7.630276      4.220732
  C      -3.337553      6.644793      4.139523
  O      -2.333340      6.891957      3.481894
  C      -3.448936      5.308925      4.861062
  C      -4.287775      8.860990      3.571062
  C      -8.169734     -5.374001      4.316327
  C      -7.164078     -4.393438      4.869276
  O      -6.171850     -4.779110      5.480511
  C      -7.394145     -2.930718      4.637109
  C      -8.447148     -2.452428      3.837010
  C      -8.600406     -1.088796      3.613782
  C      -7.695495     -0.205186      4.190838
  F      -7.883971      1.114637      3.953654
  C      -6.633291     -0.629583      5.005671
  C      -5.599704      0.259975      5.636953
  O      -4.851765     -0.200264      6.492358
  C      -5.443242      1.707412      5.147375
  C      -6.514526     -2.010935      5.212880
  H      -3.285039     -7.790597      4.373031
  H      -4.788099     -6.820733      4.211775
  H      -3.808853     -7.176049      2.772008
  H      -4.925842     -5.287669      2.144265
  H      -5.662204     -3.095796      1.212465
  H      -0.682239     -1.101725      4.250436
  H      -1.649443     -1.467887      5.683391
  H      -2.113198     -3.291061      4.684282
  H      -6.290370     12.519194      3.902587
  H      -6.989468     11.836547      2.425414
  H      -5.700947     13.077821      2.303992
  H      -7.253713     10.367109      4.304409
  H      -7.601420      8.190418      5.468736
  H      -3.690993      5.470336      5.919578
  H      -4.303001      4.744363      4.454349
  H      -3.354180      9.044113      3.037121
  H      -9.182300     -5.153015      4.685268
  H      -7.884432     -6.388917      4.612070
  H      -8.206353     -5.310418      3.217398
  H      -9.154507     -3.143447      3.378565
  H      -9.411462     -0.694962      3.001049
  H      -6.344814      2.264997      5.470244
  H      -5.489865      1.696857      4.048569
  H      -5.695877     -2.373053      5.836098
  N      -1.855921      2.524989      3.038250
  N      -1.882998      3.308126      1.936122
  H      -1.842350      4.716448      3.777427
  H      -2.804686      3.396003      1.497397
  H      -1.171894      3.049656      1.246740
91
Coordinates from ORCA-job orca E -6562.688889616761
  N      -1.357755      0.601332      5.401428
  Mo     -2.461559      2.137009      4.721693
  N      -4.247434      2.352253      5.638976
  C      -4.264783      2.747413      7.047531
  C      -2.970625      2.317081      7.723701
  N      -1.808074      2.771078      6.910716
  C      -0.565851      2.009980      7.197392
  C      -0.700830      0.587987      6.697124
  C      -1.561965      4.227036      7.090699
  C      -1.185139      4.856614      5.765269
  N      -2.229439      4.511559      4.775550
  H       0.308803      0.139053      6.634018
  H      -1.269312     -0.033607      7.418876
  H       0.247061      2.515783      6.657405
  H      -0.331998      2.037170      8.276139
  H      -1.062352      5.947565      5.868685
  H      -0.235386      4.447202      5.392655
  H      -2.479422      4.687626      7.479649
  H      -0.778743      4.391699      7.847294
  H      -5.099153      2.264751      7.580458
  H      -4.421195      3.838901      7.159876
  H      -2.953714      1.221103      7.755475
  H      -2.892686      2.707019      8.754167
  C      -3.754568     -6.936406      3.754390
  C      -2.978459     -5.677214      4.033698
  O      -1.989224     -5.670578      4.756794
  C      -3.463319     -4.391981      3.421013
  C      -4.474849     -4.335928      2.449434
  C      -4.907747     -3.112329      1.944685
  C      -4.350605     -1.940743      2.436785
  F      -4.802827     -0.777188      1.936772
  C      -3.336445     -1.946215      3.422262
  C      -2.791338     -0.726097      4.010894
  O      -3.354766      0.382936      3.845015
  C      -1.552898     -0.721949      4.852917
  C      -2.900084     -3.202186      3.877443
  C      -6.032488     12.190363      2.773115
  C      -4.980013     11.109059      2.772510
  O      -3.920820     11.245994      2.172523
  C      -5.256763      9.841036      3.532595
  C      -6.449415      9.626392      4.245284
  C      -6.657454      8.434565      4.932814
  C      -5.666524      7.461401      4.905543
  F      -5.910500      6.311680      5.583963
  C      -4.456683      7.626694      4.209200
  C      -3.345962      6.629968      4.137532
  O      -2.360624      6.842749      3.439893
  C      -3.450563      5.319086      4.906371
  C      -4.285370      8.839471      3.525357
  C      -8.120066     -5.395945      4.333153
  C      -7.126238     -4.405803      4.890989
  O      -6.133579     -4.782939      5.507218
  C      -7.370326     -2.944906      4.662487
  C      -8.428278     -2.474144      3.864708
  C      -8.595258     -1.110739      3.646673
  C      -7.697485     -0.220931      4.226223
  F      -7.901165      1.097850      3.996931
  C      -6.629151     -0.638253      5.036502
  C      -5.600013      0.256869      5.668993
  O      -4.847877     -0.200492      6.521181
  C      -5.456129      1.707570      5.187053
  C      -6.497845     -2.018905      5.239655
  H      -3.275257     -7.778806      4.263349
  H      -4.787095     -6.819032      4.120343
  H      -3.807856     -7.141388      2.674247
  H      -4.935481     -5.252382      2.080169
  H      -5.684350     -3.048402      1.182446
  H      -0.701911     -1.075685      4.230045
  H      -1.660635     -1.473906      5.659302
  H      -2.124874     -3.278522      4.640170
  H      -6.247790     12.525433      3.799493
  H      -6.977644     11.815491      2.350887
  H      -5.677479     13.038546      2.178955
  H      -7.226326     10.390746      4.267433
  H      -7.575336      8.245199      5.489564
  H      -3.672990      5.520298      5.961427
  H      -4.314933      4.744164      4.537094
  H      -3.358986      9.001044      2.972373
  H      -9.136298     -5.186356      4.699238
  H      -7.825417     -6.408722      4.627096
  H      -8.155170     -5.330421      3.234167
  H      -9.129882     -3.170808      3.405710
  H      -9.411699     -0.722735      3.037388
  H      -6.359167      2.257872      5.517743
  H      -5.508427      1.704603      4.088249
  H      -5.675413     -2.375698      5.861007
  N      -1.862408      2.538837      3.072815
  N      -1.916653      3.319090      1.977692
  H      -1.854221      4.725544      3.845380
  H      -2.850539      3.422227      1.566804
  H      -1.223393      3.063609      1.268183
91
Coordinates from ORCA-job orca E -6562.689062926484
  N      -1.379899      0.597512      5.413193
  Mo     -2.480451      2.137528      4.740536
  N      -4.257683      2.367103      5.665368
  C      -4.268410      2.773241      7.071350
  C      -2.979882      2.328420      7.749840
  N      -1.813093      2.767296      6.936455
  C      -0.580442      1.990072      7.220258
  C      -0.730208      0.572251      6.712632
  C      -1.549959      4.219742      7.116254
  C      -1.180711      4.848372      5.788660
  N      -2.237070      4.510613      4.810395
  H       0.274645      0.112309      6.652232
  H      -1.309048     -0.046006      7.429053
  H       0.239556      2.488934      6.684398
  H      -0.347459      2.008343      8.299454
  H      -1.050539      5.938583      5.892543
  H      -0.236992      4.433258      5.406544
  H      -2.458822      4.688791      7.515516
  H      -0.757171      4.375841      7.864677
  H      -5.108975      2.306635      7.608872
  H      -4.408208      3.867920      7.175079
  H      -2.975858      1.232247      7.785835
  H      -2.899334      2.720603      8.779410
  C      -3.757439     -6.937604      3.676976
  C      -2.994608     -5.675802      3.982448
  O      -2.006489     -5.673480      4.707365
  C      -3.490482     -4.383806      3.392927
  C      -4.508552     -4.318617      2.428782
  C      -4.947821     -3.089494      1.942334
  C      -4.388816     -1.922838      2.444156
  F      -4.845845     -0.754643      1.960336
  C      -3.367784     -1.937404      3.422619
  C      -2.819397     -0.722346      4.017987
  O      -3.386658      0.385870      3.865352
  C      -1.575621     -0.721529      4.852244
  C      -2.927604     -3.198028      3.861221
  C      -6.006061     12.175183      2.698487
  C      -4.968467     11.079384      2.699591
  O      -3.921949     11.187275      2.071869
  C      -5.244863      9.832290      3.494035
  C      -6.424759      9.648579      4.235773
  C      -6.632600      8.474908      4.954367
  C      -5.653907      7.489171      4.929370
  F      -5.897767      6.358356      5.638300
  C      -4.457384      7.623119      4.204231
  C      -3.360548      6.611072      4.130204
  O      -2.388349      6.796747      3.405953
  C      -3.450952      5.328602      4.949528
  C      -4.285840      8.818329      3.489555
  C      -8.022981     -5.414286      4.311364
  C      -7.054039     -4.409849      4.888106
  O      -6.060931     -4.773192      5.511837
  C      -7.323226     -2.951588      4.669740
  C      -8.382592     -2.492596      3.866923
  C      -8.570813     -1.130259      3.657574
  C      -7.692227     -0.230107      4.250863
  F      -7.913294      1.086550      4.027140
  C      -6.623697     -0.635741      5.066690
  C      -5.608319      0.269888      5.705530
  O      -4.868320     -0.175934      6.573902
  C      -5.468795      1.720356      5.219401
  C      -6.472056     -2.015357      5.262309
  H      -3.271980     -7.784600      4.172382
  H      -4.792917     -6.837858      4.040033
  H      -3.803914     -7.123142      2.592954
  H      -4.968754     -5.231653      2.050330
  H      -5.729380     -3.017747      1.185786
  H      -0.727677     -1.064964      4.219759
  H      -1.674660     -1.482819      5.650933
  H      -2.147077     -3.282200      4.617753
  H      -6.192985     12.537152      3.721450
  H      -6.965876     11.804156      2.306668
  H      -5.653352     13.004291      2.076587
  H      -7.192054     10.422835      4.256567
  H      -7.541171      8.309414      5.533693
  H      -3.640409      5.571890      6.002721
  H      -4.328904      4.744866      4.628433
  H      -3.369586      8.955829      2.913535
  H      -9.046955     -5.227278      4.668473
  H      -7.712035     -6.423756      4.600013
  H      -8.047857     -5.340190      3.212543
  H      -9.067838     -3.197640      3.395932
  H      -9.388128     -0.751322      3.043644
  H      -6.370804      2.271276      5.551233
  H      -5.523795      1.713718      4.120911
  H      -5.648081     -2.363116      5.886858
  N      -1.897323      2.541523      3.086547
  N      -1.989045      3.309496      1.988923
  H      -1.865644      4.726066      3.880828
  H      -2.937798      3.434783      1.620777
  H      -1.329033      3.045464      1.251904
91
Coordinates from ORCA-job orca E -6562.687992102149
  N      -1.390845      0.597420      5.422128
  Mo     -2.499935      2.143171      4.782670
  N      -4.262121      2.380408      5.727716
  C      -4.259943      2.784809      7.134216
  C      -2.976668      2.311129      7.807878
  N      -1.809403      2.744100      6.995885
  C      -0.585183      1.948853      7.260390
  C      -0.750328      0.542567      6.726184
  C      -1.531692      4.189469      7.196223
  C      -1.172671      4.834311      5.875465
  N      -2.240202      4.518556      4.902607
  H       0.249191      0.071906      6.663931
  H      -1.341892     -0.081328      7.426931
  H       0.238777      2.448739      6.731351
  H      -0.347976      1.942769      8.338856
  H      -1.032683      5.922079      5.993283
  H      -0.235883      4.417391      5.478191
  H      -2.431353      4.659836      7.614349
  H      -0.727529      4.328852      7.935715
  H      -5.107653      2.334255      7.674104
  H      -4.376658      3.881969      7.239689
  H      -2.989323      1.214651      7.834039
  H      -2.889970      2.692161      8.841303
  C      -3.737341     -6.919191      3.532165
  C      -2.981368     -5.660172      3.866273
  O      -1.992263     -5.668691      4.589514
  C      -3.488715     -4.357524      3.310727
  C      -4.513399     -4.274806      2.354823
  C      -4.963187     -3.036897      1.901376
  C      -4.407523     -1.879467      2.427438
  F      -4.874309     -0.702422      1.974622
  C      -3.379679     -1.912216      3.398408
  C      -2.834420     -0.707356      4.017232
  O      -3.417256      0.396247      3.902342
  C      -1.578351     -0.710825      4.831201
  C      -2.929274     -3.180084      3.804054
  C      -5.995230     12.104318      2.517924
  C      -4.961870     11.004940      2.555947
  O      -3.921158     11.080842      1.914151
  C      -5.234646      9.795331      3.407712
  C      -6.409223      9.647474      4.165659
  C      -6.613931      8.507427      4.937471
  C      -5.637513      7.519326      4.949713
  F      -5.878794      6.422481      5.710845
  C      -4.446155      7.618118      4.210077
  C      -3.353312      6.600923      4.171783
  O      -2.394170      6.741543      3.419610
  C      -3.441767      5.352512      5.044145
  C      -4.277789      8.779778      3.441614
  C      -7.976088     -5.409139      4.306285
  C      -7.014670     -4.404631      4.896021
  O      -6.017301     -4.768205      5.512235
  C      -7.298493     -2.945702      4.700248
  C      -8.364170     -2.485240      3.906650
  C      -8.565498     -1.122050      3.716639
  C      -7.693613     -0.222216      4.319680
  F      -7.925433      1.095501      4.114360
  C      -6.619492     -0.629074      5.127222
  C      -5.611401      0.278679      5.771831
  O      -4.875941     -0.164219      6.645794
  C      -5.476880      1.732251      5.289511
  C      -6.454982     -2.009851      5.304658
  H      -3.246208     -7.775121      4.006053
  H      -4.771940     -6.833880      3.900554
  H      -3.784745     -7.078279      2.444152
  H      -4.971503     -5.180680      1.957170
  H      -5.750539     -2.951064      1.152358
  H      -0.736960     -1.025073      4.175470
  H      -1.652440     -1.494815      5.610345
  H      -2.144985     -3.278724      4.554888
  H      -6.169629     12.510499      3.526334
  H      -6.960284     11.720846      2.152051
  H      -5.645682     12.904263      1.857288
  H      -7.175208     10.423189      4.157621
  H      -7.518613      8.370199      5.530023
  H      -3.597759      5.642801      6.091666
  H      -4.334238      4.766067      4.770961
  H      -3.365873      8.889340      2.852827
  H      -9.001007     -5.235537      4.667201
  H      -7.656340     -6.419756      4.580987
  H      -8.002197     -5.320057      3.208665
  H      -9.043495     -3.189857      3.426681
  H      -9.387753     -0.741925      3.110081
  H      -6.375816      2.281290      5.632143
  H      -5.541394      1.729220      4.191942
  H      -5.626837     -2.358467      5.923107
  N      -1.964500      2.573139      3.120815
  N      -2.114324      3.315023      2.016406
  H      -1.954726      4.742023      3.926387
  H      -3.078416      3.454390      1.699157
  H      -1.490940      3.050419      1.249715
91
Coordinates from ORCA-job orca E -6562.688807739836
  N      -1.382366      0.596833      5.429598
  Mo     -2.490381      2.146191      4.805308
  N      -4.246460      2.378493      5.760068
  C      -4.238309      2.771992      7.170687
  C      -2.954222      2.289717      7.836988
  N      -1.791931      2.730173      7.022082
  C      -0.565593      1.934902      7.272880
  C      -0.734016      0.533143      6.729000
  C      -1.520486      4.175088      7.229788
  C      -1.176281      4.833440      5.911971
  N      -2.245702      4.516843      4.940469
  H       0.265123      0.063708      6.655379
  H      -1.321578     -0.095697      7.428684
  H       0.254345      2.440244      6.742686
  H      -0.322434      1.919357      8.349875
  H      -1.042186      5.920841      6.037130
  H      -0.239171      4.426067      5.504694
  H      -2.420633      4.635620      7.657650
  H      -0.712020      4.313652      7.964629
  H      -5.087857      2.321788      7.707708
  H      -4.348227      3.868877      7.283773
  H      -2.968142      1.193034      7.854637
  H      -2.861405      2.663370      8.872453
  C      -3.740980     -6.900139      3.487970
  C      -2.970723     -5.647759      3.814897
  O      -1.987659     -5.662446      4.546027
  C      -3.475406     -4.339663      3.269953
  C      -4.500450     -4.247372      2.315445
  C      -4.948964     -3.005045      1.872716
  C      -4.392164     -1.852869      2.408874
  F      -4.858042     -0.671425      1.967367
  C      -3.363543     -1.895164      3.378940
  C      -2.819978     -0.696974      4.010400
  O      -3.403859      0.406923      3.906753
  C      -1.565494     -0.706158      4.826441
  C      -2.913882     -3.167204      3.772774
  C      -6.021160     12.041566      2.431337
  C      -4.991982     10.938849      2.479891
  O      -3.957204     10.998529      1.826903
  C      -5.256841      9.750650      3.363607
  C      -6.421548      9.624730      4.140392
  C      -6.619918      8.504146      4.941691
  C      -5.646775      7.512982      4.964085
  F      -5.880780      6.435656      5.754426
  C      -4.465346      7.590172      4.206325
  C      -3.377510      6.567922      4.175215
  O      -2.426602      6.688874      3.408061
  C      -3.450274      5.345569      5.084850
  C      -4.302676      8.733094      3.408873
  C      -8.011100     -5.380866      4.299810
  C      -7.055101     -4.385663      4.913537
  O      -6.050307     -4.758559      5.511504
  C      -7.324941     -2.924231      4.718101
  C      -8.384467     -2.452915      3.923009
  C      -8.571650     -1.087674      3.732587
  C      -7.691014     -0.197040      4.336742
  F      -7.906817      1.122913      4.129002
  C      -6.623751     -0.615124      5.147235
  C      -5.609317      0.282178      5.797291
  O      -4.866351     -0.175821      6.656953
  C      -5.466166      1.736698      5.322946
  C      -6.472864     -1.997280      5.324010
  H      -3.259138     -7.758728      3.966420
  H      -4.774577     -6.802685      3.855611
  H      -3.790053     -7.064402      2.401034
  H      -4.960477     -5.148965      1.910727
  H      -5.737016     -2.912226      1.125463
  H      -0.722876     -1.007993      4.166340
  H      -1.635269     -1.498899      5.597000
  H      -2.129992     -3.273057      4.522965
  H      -6.182032     12.469472      3.432867
  H      -6.992094     11.654851      2.085374
  H      -5.676296     12.825851      1.749882
  H      -7.184593     10.403044      4.124286
  H      -7.516710      8.384354      5.549571
  H      -3.596036      5.661568      6.127212
  H      -4.341487      4.747528      4.833005
  H      -3.398462      8.825559      2.805723
  H      -9.038424     -5.214896      4.656858
  H      -7.691949     -6.395571      4.559450
  H      -8.030329     -5.273247      3.203676
  H      -9.069380     -3.150563      3.440874
  H      -9.388521     -0.699355      3.124184
  H      -6.359262      2.288058      5.676052
  H      -5.537333      1.743332      4.225702
  H      -5.650255     -2.354525      5.944692
  N      -1.954252      2.586447      3.145079
  N      -2.106645      3.357488      2.058065
  H      -1.858780      4.707908      3.993620
  H      -3.070694      3.528270      1.759524
  H      -1.496424      3.104906      1.277777
91
Coordinates from ORCA-job orca E -6562.688242283860
  N      -1.422637      0.592199      5.433819
  Mo     -2.515012      2.141556      4.778922
  N      -4.282229      2.391597      5.712593
  C      -4.281497      2.798240      7.118249
  C      -2.998484      2.332461      7.794366
  N      -1.826492      2.755157      6.980236
  C      -0.606073      1.957109      7.255112
  C      -0.777930      0.545575      6.735778
  C      -1.539371      4.202334      7.160735
  C      -1.169860      4.825316      5.829550
  N      -2.236761      4.506511      4.855875
  H       0.219146      0.069765      6.674058
  H      -1.370091     -0.068416      7.444457
  H       0.219780      2.448070      6.720830
  H      -0.370073      1.962320      8.333875
  H      -1.020600      5.913268      5.932781
  H      -0.236004      4.394650      5.440738
  H      -2.438048      4.685552      7.566421
  H      -0.738578      4.345224      7.903483
  H      -5.130558      2.348455      7.656270
  H      -4.399744      3.895087      7.218884
  H      -3.012526      1.236624      7.826931
  H      -2.910672      2.720483      8.824901
  C      -3.730459     -6.933452      3.552514
  C      -3.002487     -5.663936      3.907165
  O      -2.006526     -5.664589      4.620567
  C      -3.524945     -4.365166      3.356476
  C      -4.554905     -4.290555      2.405742
  C      -5.011560     -3.057145      1.948259
  C      -4.456302     -1.894839      2.463551
  F      -4.922805     -0.721912      1.999376
  C      -3.424947     -1.919027      3.431067
  C      -2.873759     -0.709533      4.037348
  O      -3.444320      0.401595      3.907535
  C      -1.616964     -0.717975      4.852545
  C      -2.969378     -3.183202      3.842774
  C      -5.998292     12.115739      2.560695
  C      -4.970734     11.010798      2.570348
  O      -3.949670     11.078558      1.897092
  C      -5.229905      9.801503      3.426254
  C      -6.383104      9.663747      4.218491
  C      -6.576701      8.524771      4.993936
  C      -5.610666      7.526831      4.974692
  F      -5.838422      6.430972      5.742035
  C      -4.441141      7.615573      4.199498
  C      -3.360773      6.587753      4.128567
  O      -2.411962      6.730151      3.365369
  C      -3.435345      5.343288      5.004381
  C      -4.283110      8.776911      3.429019
  C      -7.903415     -5.418706      4.264701
  C      -6.950150     -4.402580      4.846096
  O      -5.953630     -4.752713      5.471470
  C      -7.259657     -2.947726      4.663170
  C      -8.337248     -2.497854      3.880009
  C      -8.562853     -1.136712      3.704715
  C      -7.702487     -0.228058      4.310802
  F      -7.962077      1.088083      4.124577
  C      -6.617114     -0.625372      5.108353
  C      -5.621155      0.290649      5.761415
  O      -4.856980     -0.158000      6.607872
  C      -5.496821      1.742702      5.280181
  C      -6.427954     -2.004305      5.270654
  H      -3.222089     -7.784880      4.016111
  H      -4.767910     -6.877406      3.917219
  H      -3.770758     -7.078499      2.462234
  H      -5.009373     -5.200066      2.012605
  H      -5.800977     -2.978710      1.200726
  H      -0.776122     -1.042239      4.200681
  H      -1.697770     -1.494411      5.638069
  H      -2.177588     -3.274251      4.586624
  H      -6.142895     12.522731      3.573228
  H      -6.975177     11.737689      2.222035
  H      -5.662580     12.913579      1.890509
  H      -7.140143     10.447796      4.235157
  H      -7.463946      8.395764      5.613882
  H      -3.581939      5.634029      6.052777
  H      -4.330174      4.757628      4.738117
  H      -3.387802      8.878704      2.814234
  H      -8.928616     -5.255090      4.629038
  H      -7.571758     -6.424895      4.541340
  H      -7.935066     -5.333333      3.167166
  H      -9.008886     -3.209090      3.399218
  H      -9.396243     -0.764996      3.108439
  H      -6.396079      2.287849      5.629067
  H      -5.566636      1.742118      4.182766
  H      -5.590919     -2.345081      5.881283
  N      -1.942519      2.539807      3.116800
  N      -2.053493      3.302953      2.015621
  H      -1.833227      4.802456      3.951754
  H      -3.008672      3.467004      1.683996
  H      -1.428502      3.022691      1.255242
91
Coordinates from ORCA-job orca E -6562.688395516703
  N      -1.407629      0.594475      5.440667
  Mo     -2.488021      2.149846      4.778866
  N      -4.265122      2.394530      5.696028
  C      -4.278122      2.797588      7.103586
  C      -3.004256      2.328434      7.791553
  N      -1.821029      2.751798      6.992765
  C      -0.607118      1.946678      7.278173
  C      -0.778467      0.539044      6.748918
  C      -1.530430      4.197601      7.182692
  C      -1.151342      4.829117      5.858113
  N      -2.212546      4.514633      4.876961
  H       0.217565      0.059427      6.696063
  H      -1.379949     -0.075798      7.449142
  H       0.228320      2.437252      6.758792
  H      -0.385710      1.944080      8.360149
  H      -1.005578      5.916747      5.969733
  H      -0.214332      4.402136      5.472258
  H      -2.431006      4.680226      7.585315
  H      -0.735020      4.333720      7.932497
  H      -5.133792      2.348551      7.631810
  H      -4.394366      3.894567      7.205557
  H      -3.020011      1.232390      7.820389
  H      -2.927394      2.712829      8.824395
  C      -3.774995     -6.901662      3.521852
  C      -3.025181     -5.644115      3.873628
  O      -2.036587     -5.659521      4.597656
  C      -3.518209     -4.339751      3.310439
  C      -4.531853     -4.254669      2.343473
  C      -4.967879     -3.015458      1.880188
  C      -4.409815     -1.859776      2.407243
  F      -4.859239     -0.682027      1.939727
  C      -3.394155     -1.894142      3.391280
  C      -2.846600     -0.692030      4.012293
  O      -3.413974      0.420719      3.882673
  C      -1.599207     -0.709250      4.843695
  C      -2.957112     -3.164185      3.805633
  C      -6.038730     12.079840      2.533718
  C      -5.006152     10.979705      2.547987
  O      -3.989926     11.045763      1.866992
  C      -5.253357      9.777379      3.417126
  C      -6.399894      9.641602      4.219112
  C      -6.582162      8.508871      5.006817
  C      -5.610978      7.515654      4.990114
  F      -5.827170      6.425175      5.767489
  C      -4.447927      7.602277      4.205873
  C      -3.363072      6.579527      4.137435
  O      -2.426359      6.715794      3.357421
  C      -3.417816      5.346505      5.032622
  C      -4.301329      8.757101      3.422227
  C      -7.957405     -5.420436      4.356459
  C      -6.993560     -4.404634      4.921467
  O      -6.005696     -4.755572      5.560431
  C      -7.281212     -2.949647      4.705139
  C      -8.349118     -2.501737      3.907724
  C      -8.553997     -1.141258      3.701002
  C      -7.682201     -0.232154      4.290707
  F      -7.921602      1.082809      4.073825
  C      -6.604688     -0.627251      5.099700
  C      -5.594963      0.287738      5.735103
  O      -4.858964     -0.146407      6.612650
  C      -5.472015      1.738876      5.250573
  C      -6.437573     -2.004895      5.294635
  H      -3.288898     -7.759098      3.998245
  H      -4.816158     -6.822447      3.873019
  H      -3.806180     -7.055677      2.432186
  H      -4.990438     -5.159503      1.943997
  H      -5.745080     -2.927815      1.120875
  H      -0.751265     -1.027626      4.197993
  H      -1.689526     -1.493893      5.619780
  H      -2.179810     -3.264153      4.563583
  H      -6.179278     12.496892      3.542948
  H      -7.016513     11.694312      2.205547
  H      -5.711087     12.872351      1.853228
  H      -7.160624     10.422399      4.233640
  H      -7.464547      8.381092      5.634110
  H      -3.556550      5.651784      6.077457
  H      -4.311192      4.750181      4.784617
  H      -3.411235      8.857531      2.799664
  H      -8.982732     -5.235415      4.710719
  H      -7.641268     -6.424995      4.656383
  H      -7.982260     -5.358480      3.257028
  H      -9.029396     -3.213996      3.440455
  H      -9.379774     -0.771076      3.093197
  H      -6.377535      2.281419      5.587167
  H      -5.529579      1.735419      4.152263
  H      -5.607819     -2.344416      5.915901
  N      -1.885454      2.549577      3.127749
  N      -1.994205      3.318375      2.036139
  H      -1.872883      4.702147      3.952292
  H      -2.947196      3.470511      1.690619
  H      -1.346393      3.065232      1.284761
91
Coordinates from ORCA-job orca E -6562.688459782091
  N      -1.368923      0.597178      5.437486
  Mo     -2.476633      2.152679      4.832906
  N      -4.228544      2.381124      5.798981
  C      -4.212973      2.757961      7.215206
  C      -2.927785      2.263970      7.871467
  N      -1.769760      2.713396      7.055025
  C      -0.541342      1.916931      7.288831
  C      -0.713390      0.521028      6.732466
  C      -1.499433      4.156382      7.275543
  C      -1.160669      4.827132      5.963652
  N      -2.233002      4.519945      4.992408
  H       0.284922      0.051686      6.648663
  H      -1.298287     -0.113291      7.429387
  H       0.274083      2.428268      6.757384
  H      -0.290098      1.889666      8.363756
  H      -1.024913      5.913138      6.097909
  H      -0.225182      4.422766      5.548944
  H      -2.398725      4.611220      7.711334
  H      -0.687962      4.289070      8.008029
  H      -5.063937      2.306818      7.749006
  H      -4.315915      3.854164      7.341314
  H      -2.944496      1.167208      7.876148
  H      -2.827802      2.625994      8.910342
  C      -3.762269     -6.875607      3.442893
  C      -2.979252     -5.630382      3.767844
  O      -1.992081     -5.655561      4.493175
  C      -3.482972     -4.315073      3.239620
  C      -4.517597     -4.209729      2.296891
  C      -4.965151     -2.961257      1.870115
  C      -4.397782     -1.816452      2.410987
  F      -4.864943     -0.628892      1.987763
  C      -3.359820     -1.871860      3.370386
  C      -2.809916     -0.682074      4.010735
  O      -3.392536      0.423000      3.921760
  C      -1.551647     -0.699180      4.820083
  C      -2.911390     -3.149535      3.747432
  C      -6.072881     11.954925      2.317851
  C      -5.037157     10.859415      2.387074
  O      -4.008902     10.906433      1.722835
  C      -5.283527      9.698397      3.311387
  C      -6.436909      9.591523      4.107687
  C      -6.618757      8.495970      4.946680
  C      -5.640426      7.510427      4.986968
  F      -5.857821      6.457921      5.814071
  C      -4.469724      7.569027      4.210759
  C      -3.378226      6.551216      4.196781
  O      -2.436450      6.654687      3.414917
  C      -3.437281      5.350128      5.136646
  C      -4.323594      8.687258      3.375643
  C      -8.029108     -5.351641      4.261899
  C      -7.074698     -4.368058      4.896832
  O      -6.061565     -4.751931      5.473267
  C      -7.336614     -2.903335      4.716175
  C      -8.396819     -2.417847      3.930540
  C      -8.575704     -1.049601      3.753764
  C      -7.686100     -0.170447      4.361886
  F      -7.891662      1.152418      4.163817
  C      -6.617957     -0.602889      5.163436
  C      -5.593446      0.281508      5.816287
  O      -4.853436     -0.188523      6.671888
  C      -5.450470      1.741959      5.361494
  C      -6.475663     -1.987563      5.326541
  H      -3.283018     -7.739549      3.914312
  H      -4.792413     -6.772913      3.818707
  H      -3.820907     -7.035310      2.355762
  H      -4.986538     -5.105558      1.889492
  H      -5.761150     -2.858384      1.132656
  H      -0.713206     -0.988310      4.148772
  H      -1.611666     -1.502107      5.580599
  H      -2.121500     -3.265526      4.489752
  H      -6.225610     12.411038      3.308188
  H      -7.045325     11.552631      1.994603
  H      -5.740186     12.720626      1.609738
  H      -7.203923     10.365547      4.077397
  H      -7.506441      8.391463      5.570573
  H      -3.572668      5.687560      6.173356
  H      -4.329377      4.745135      4.903961
  H      -3.427965      8.765105      2.757768
  H      -9.056782     -5.194787      4.621870
  H      -7.708601     -6.371028      4.500731
  H      -8.048281     -5.221582      3.168057
  H      -9.088320     -3.106457      3.444707
  H      -9.392443     -0.650408      3.152225
  H      -6.341162      2.288787      5.727556
  H      -5.529038      1.764119      4.264890
  H      -5.652526     -2.356275      5.939767
  N      -1.949239      2.608426      3.174207
  N      -2.095855      3.393850      2.096977
  H      -1.880526      4.726350      4.025213
  H      -3.057021      3.556428      1.785208
  H      -1.468194      3.163176      1.324067
91
Coordinates from ORCA-job orca E -6562.689305545618
  N      -1.395481      0.592383      5.441499
  Mo     -2.485444      2.150430      4.808632
  N      -4.250291      2.396489      5.748684
  C      -4.248428      2.790252      7.159068
  C      -2.972106      2.301572      7.834417
  N      -1.798519      2.730203      7.027623
  C      -0.580929      1.924459      7.288480
  C      -0.757085      0.523041      6.745503
  C      -1.510606      4.173089      7.231967
  C      -1.147635      4.819924      5.912462
  N      -2.217404      4.516515      4.937458
  H       0.238211      0.044244      6.680253
  H      -1.355634     -0.099143      7.441621
  H       0.246486      2.422000      6.762607
  H      -0.344752      1.908974      8.367112
  H      -0.998635      5.905975      6.034176
  H      -0.214723      4.396966      5.512012
  H      -2.407943      4.647804      7.650366
  H      -0.706096      4.304090      7.972696
  H      -5.105397      2.346985      7.689819
  H      -4.351693      3.887913      7.269929
  H      -2.994917      1.205342      7.852103
  H      -2.882955      2.675439      8.870085
  C      -3.767079     -6.891503      3.471525
  C      -3.005110     -5.638928      3.815844
  O      -2.016363     -5.658890      4.539069
  C      -3.508268     -4.328380      3.275600
  C      -4.534658     -4.231609      2.322966
  C      -4.978968     -2.987568      1.881444
  C      -4.416309     -1.837722      2.416211
  F      -4.875775     -0.654185      1.972739
  C      -3.387625     -1.884423      3.385961
  C      -2.836897     -0.688729      4.016880
  O      -3.410575      0.421484      3.909835
  C      -1.582220     -0.707442      4.833647
  C      -2.942668     -3.158323      3.779037
  C      -6.072245     11.999820      2.408218
  C      -5.035287     10.904251      2.450303
  O      -4.021088     10.954493      1.765146
  C      -5.272234      9.729790      3.359735
  C      -6.414407      9.614620      4.171150
  C      -6.587658      8.507347      4.996069
  C      -5.612314      7.518262      5.006921
  F      -5.820504      6.454022      5.821948
  C      -4.452930      7.584977      4.214236
  C      -3.364869      6.564576      4.171078
  O      -2.429122      6.681144      3.385709
  C      -3.417472      5.351083      5.092903
  C      -4.315317      8.714841      3.394076
  C      -7.975790     -5.382179      4.298836
  C      -7.015003     -4.380446      4.893696
  O      -6.018379     -4.746607      5.509477
  C      -7.296327     -2.920827      4.701233
  C      -8.362243     -2.455802      3.910951
  C      -8.560290     -1.091718      3.724563
  C      -7.684558     -0.195616      4.327542
  F      -7.914036      1.123393      4.126102
  C      -6.610657     -0.607556      5.132715
  C      -5.600922      0.295103      5.783571
  O      -4.854551     -0.159496      6.642386
  C      -5.465789      1.749558      5.310079
  C      -6.449042     -1.988908      5.305817
  H      -3.280991     -7.752735      3.940902
  H      -4.802489     -6.805798      3.836699
  H      -3.811856     -7.042961      2.382368
  H      -4.998099     -5.131315      1.917849
  H      -5.767071     -2.891546      1.134585
  H      -0.740651     -1.010203      4.172261
  H      -1.654774     -1.502073      5.601508
  H      -2.156964     -3.267150      4.526917
  H      -6.209132     12.446041      3.405261
  H      -7.049620     11.600285      2.096626
  H      -5.751083     12.772616      1.702510
  H      -7.178995     10.391522      4.163986
  H      -7.466263      8.396370      5.631618
  H      -3.542903      5.676524      6.134190
  H      -4.314227      4.752443      4.862521
  H      -3.428480      8.799199      2.764502
  H      -9.001704     -5.209153      4.656724
  H      -7.657777     -6.393731      4.571960
  H      -7.998453     -5.290104      3.201479
  H      -9.044774     -3.157357      3.431151
  H      -9.383141     -0.708316      3.121060
  H      -6.362932      2.296202      5.661463
  H      -5.535159      1.756516      4.212712
  H      -5.621575     -2.341579      5.922691
  N      -1.923609      2.578662      3.152288
  N      -2.039931      3.352949      2.063316
  H      -1.844291      4.751399      3.995781
  H      -2.994034      3.521821      1.732351
  H      -1.404398      3.099872      1.303039
91
Coordinates from ORCA-job orca E -6562.688790708838
  N      -1.395463      0.584262      5.464823
  Mo     -2.469374      2.156043      4.833015
  N      -4.233848      2.400411      5.780695
  C      -4.223032      2.779528      7.196102
  C      -2.941762      2.293722      7.856822
  N      -1.771186      2.726178      7.042944
  C      -0.553984      1.915752      7.297300
  C      -0.740341      0.514308      6.758294
  C      -1.477686      4.170432      7.243437
  C      -1.124790      4.819906      5.920396
  N      -2.200219      4.510675      4.954345
  H       0.252854      0.032073      6.680507
  H      -1.329634     -0.104378      7.465719
  H       0.272701      2.409987      6.767475
  H      -0.312788      1.900742      8.374913
  H      -0.980633      5.906531      6.041533
  H      -0.193048      4.400724      5.512944
  H      -2.371498      4.645768      7.669073
  H      -0.668637      4.297993      7.979867
  H      -5.075366      2.329485      7.728690
  H      -4.327811      3.875636      7.317799
  H      -2.961202      1.197366      7.869690
  H      -2.843573      2.663559      8.893041
  C      -3.813228     -6.874416      3.452388
  C      -3.059126     -5.622476      3.816173
  O      -2.059560     -5.651690      4.524767
  C      -3.562470     -4.306672      3.289748
  C      -4.595863     -4.202137      2.345950
  C      -5.035835     -2.953048      1.912406
  C      -4.460525     -1.808488      2.445295
  F      -4.912855     -0.621877      2.004843
  C      -3.424677     -1.862016      3.407687
  C      -2.858097     -0.673086      4.034929
  O      -3.413664      0.446855      3.920462
  C      -1.603666     -0.710150      4.854671
  C      -2.987039     -3.141360      3.793012
  C      -6.130703     11.932649      2.344011
  C      -5.090296     10.840914      2.389996
  O      -4.085781     10.883757      1.689849
  C      -5.306852      9.683594      3.325708
  C      -6.433918      9.580394      4.159411
  C      -6.588469      8.488460      5.008411
  C      -5.609105      7.503057      5.020241
  F      -5.796753      6.452756      5.857220
  C      -4.464606      7.558030      4.206687
  C      -3.373875      6.540607      4.164647
  O      -2.460846      6.640933      3.350571
  C      -3.403282      5.346319      5.112873
  C      -4.345440      8.672588      3.361761
  C      -7.932630     -5.360456      4.222419
  C      -6.984318     -4.359316      4.837963
  O      -5.978873     -4.726164      5.439429
  C      -7.276286     -2.899615      4.668101
  C      -8.348698     -2.428526      3.890435
  C      -8.555298     -1.062149      3.727074
  C      -7.680074     -0.171150      4.339830
  F      -7.919112      1.149242      4.160968
  C      -6.599366     -0.590286      5.131943
  C      -5.583276      0.302980      5.789570
  O      -4.829185     -0.166136      6.632574
  C      -5.452479      1.762896      5.339390
  C      -6.430712     -1.972905      5.282489
  H      -3.319539     -7.739307      3.906975
  H      -4.850471     -6.805645      3.816407
  H      -3.857633     -7.009390      2.360595
  H      -5.065883     -5.098605      1.941023
  H      -5.828318     -2.849947      1.171144
  H      -0.766076     -1.024432      4.193015
  H      -1.688216     -1.504557      5.621314
  H      -2.193725     -3.256641      4.532025
  H      -6.254277     12.397926      3.334267
  H      -7.112353     11.525359      2.056110
  H      -5.823096     12.692860      1.618844
  H      -7.200876     10.355165      4.150518
  H      -7.455240      8.386416      5.661605
  H      -3.520430      5.690813      6.147861
  H      -4.299565      4.738633      4.904357
  H      -3.470386      8.747969      2.714955
  H      -8.960880     -5.208734      4.583875
  H      -7.601785     -6.373707      4.473067
  H      -7.958617     -5.245353      3.127148
  H      -9.030095     -3.126733      3.403851
  H      -9.383819     -0.674306      3.134309
  H      -6.347976      2.304518      5.703007
  H      -5.527894      1.787800      4.242199
  H      -5.597531     -2.331295      5.888385
  N      -1.869307      2.579356      3.187988
  N      -1.956523      3.387672      2.122149
  H      -1.854847      4.726442      4.026449
  H      -2.900513      3.533390      1.750376
  H      -1.279866      3.170977      1.384966
91
Coordinates from ORCA-job orca E -6562.689386837553
  N      -1.399897      0.590912      5.453176
  Mo     -2.479435      2.157065      4.823597
  N      -4.247855      2.406746      5.757920
  C      -4.247512      2.795544      7.169903
  C      -2.976319      2.298611      7.847398
  N      -1.796403      2.723134      7.047392
  C      -0.585696      1.907449      7.310543
  C      -0.768789      0.509739      6.759832
  C      -1.498184      4.163648      7.256600
  C      -1.128948      4.812198      5.938741
  N      -2.199264      4.518418      4.961640
  H       0.223440      0.024166      6.697201
  H      -1.374948     -0.111518      7.450177
  H       0.247984      2.401646      6.791494
  H      -0.355261      1.885310      8.390340
  H      -0.974295      5.897195      6.064441
  H      -0.198013      4.384920      5.538442
  H      -2.392758      4.643693      7.675166
  H      -0.694078      4.286145      7.999243
  H      -5.108621      2.355638      7.696707
  H      -4.344732      3.893326      7.283633
  H      -3.004758      1.202501      7.860275
  H      -2.889353      2.667845      8.884953
  C      -3.788033     -6.871009      3.422548
  C      -3.026595     -5.622299      3.781506
  O      -2.037280     -5.650777      4.503711
  C      -3.525275     -4.306766      3.249768
  C      -4.549667     -4.201049      2.295983
  C      -4.989732     -2.952836      1.861998
  C      -4.424642     -1.808205      2.405134
  F      -4.879334     -0.620597      1.967740
  C      -3.397880     -1.863839      3.376543
  C      -2.843812     -0.673855      4.015212
  O      -3.413257      0.439811      3.913830
  C      -1.588360     -0.702361      4.831963
  C      -2.957342     -3.141660      3.761889
  C      -6.110129     11.942337      2.341744
  C      -5.072715     10.847354      2.386709
  O      -4.074132     10.880597      1.677944
  C      -5.288617      9.695867      3.330054
  C      -6.412594      9.600576      4.169011
  C      -6.566915      8.513874      5.024456
  C      -5.590977      7.525349      5.037932
  F      -5.779637      6.481769      5.883767
  C      -4.449436      7.572656      4.218438
  C      -3.362088      6.551692      4.175903
  O      -2.442311      6.652110      3.369933
  C      -3.396315      5.357840      5.123022
  C      -4.330537      8.682200      3.368115
  C      -7.963585     -5.377906      4.308111
  C      -7.004129     -4.375558      4.903766
  O      -6.003981     -4.741040      5.514299
  C      -7.286370     -2.916277      4.710502
  C      -8.354097     -2.452206      3.922093
  C      -8.553371     -1.088260      3.735558
  C      -7.676838     -0.191420      4.336372
  F      -7.907854      1.127538      4.135612
  C      -6.600576     -0.602529      5.138728
  C      -5.588454      0.300603      5.785573
  O      -4.848538     -0.149503      6.652261
  C      -5.460916      1.757005      5.317222
  C      -6.438027     -1.983656      5.312485
  H      -3.304202     -7.736741      3.885969
  H      -4.825311     -6.788827      3.783449
  H      -3.828042     -7.012549      2.331736
  H      -5.014555     -5.096905      1.883939
  H      -5.776235     -2.849622      1.114388
  H      -0.747289     -0.998613      4.166885
  H      -1.660796     -1.504692      5.591510
  H      -2.172826     -3.257448      4.509996
  H      -6.223723     12.413443      3.330281
  H      -7.094642     11.535837      2.063316
  H      -5.805521     12.697116      1.609687
  H      -7.177587     10.377084      4.159529
  H      -7.431086      8.418517      5.682002
  H      -3.500563      5.705972      6.159072
  H      -4.297930      4.755174      4.922947
  H      -3.457876      8.751238      2.717246
  H      -8.989474     -5.207607      4.667423
  H      -7.643345     -6.389450      4.578710
  H      -7.987847     -5.283551      3.210922
  H      -9.037553     -3.154437      3.444527
  H      -9.377994     -0.705648      3.133942
  H      -6.360721      2.298609      5.670163
  H      -5.530132      1.767645      4.219885
  H      -5.608762     -2.335641      5.927323
  N      -1.898804      2.585472      3.172376
  N      -2.005632      3.367304      2.088912
  H      -1.837370      4.759090      4.028353
  H      -2.956538      3.541916      1.751360
  H      -1.362501      3.122671      1.332020
91
Coordinates from ORCA-job orca E -6562.689016855574
  N      -1.415604      0.592814      5.455928
  Mo     -2.501203      2.159432      4.845218
  N      -4.260399      2.425652      5.788858
  C      -4.249670      2.815754      7.200111
  C      -2.983148      2.298881      7.876038
  N      -1.801261      2.712646      7.076644
  C      -0.598910      1.883713      7.331607
  C      -0.794273      0.492691      6.767588
  C      -1.487641      4.147352      7.294172
  C      -1.112204      4.795756      5.978822
  N      -2.187660      4.526773      4.998804
  H       0.192754     -0.002867      6.707257
  H      -1.413003     -0.128329      7.446409
  H       0.238803      2.374098      6.815266
  H      -0.367043      1.849656      8.410771
  H      -0.939209      5.877646      6.109805
  H      -0.188868      4.355344      5.575692
  H      -2.375451      4.636206      7.716609
  H      -0.680044      4.258350      8.034794
  H      -5.115728      2.389290      7.729670
  H      -4.330363      3.914739      7.312667
  H      -3.026441      1.203342      7.884894
  H      -2.892434      2.662969      8.915235
  C      -3.776247     -6.862824      3.368443
  C      -3.018025     -5.614383      3.734922
  O      -2.023850     -5.644694      4.449670
  C      -3.529105     -4.296145      3.221658
  C      -4.562126     -4.184565      2.277666
  C      -5.014434     -2.934764      1.862730
  C      -4.453007     -1.793007      2.415235
  F      -4.919732     -0.602421      1.996960
  C      -3.417741     -1.855333      3.376874
  C      -2.865334     -0.668247      4.024293
  O      -3.447665      0.441072      3.949296
  C      -1.595681     -0.694255      4.817789
  C      -2.964023     -3.133813      3.743200
  C      -6.125329     11.882455      2.247256
  C      -5.086025     10.789779      2.307414
  O      -4.101336     10.799511      1.579110
  C      -5.284282      9.669365      3.291266
  C      -6.395118      9.599015      4.150097
  C      -6.533792      8.540303      5.042296
  C      -5.555951      7.554360      5.072861
  F      -5.729760      6.539415      5.956452
  C      -4.426631      7.578130      4.234679
  C      -3.337888      6.559119      4.208697
  O      -2.429755      6.632641      3.386987
  C      -3.372138      5.379797      5.171979
  C      -4.323610      8.659479      3.347785
  C      -7.909831     -5.366601      4.269202
  C      -6.953862     -4.363799      4.869437
  O      -5.955818     -4.727896      5.483572
  C      -7.253251     -2.904877      4.698756
  C      -8.326042     -2.442151      3.916496
  C      -8.542813     -1.078674      3.750883
  C      -7.679262     -0.179868      4.366066
  F      -7.927869      1.139414      4.187698
  C      -6.598766     -0.589339      5.163673
  C      -5.605520      0.319454      5.828200
  O      -4.847932     -0.136145      6.677471
  C      -5.478459      1.776714      5.358831
  C      -6.417392     -1.970903      5.315979
  H      -3.284809     -7.731473      3.818042
  H      -4.809596     -6.788370      3.741000
  H      -3.824849     -6.991550      2.276656
  H      -5.025442     -5.077728      1.858252
  H      -5.808297     -2.827478      1.123566
  H      -0.762396     -0.967784      4.133856
  H      -1.643768     -1.509612      5.565036
  H      -2.173546     -3.254140      4.484103
  H      -6.219540     12.384374      3.222368
  H      -7.114059     11.466344      2.000622
  H      -5.835538     12.613510      1.485767
  H      -7.162360     10.372781      4.127615
  H      -7.387429      8.464993      5.715853
  H      -3.446518      5.747344      6.204408
  H      -4.285297      4.785367      5.001345
  H      -3.461029      8.709149      2.681868
  H      -8.935519     -5.202831      4.631478
  H      -7.584420     -6.378189      4.533360
  H      -7.935258     -5.265265      3.172830
  H      -9.000208     -3.145255      3.427517
  H      -9.372114     -0.697055      3.155117
  H      -6.373566      2.318943      5.722095
  H      -5.558215      1.788564      4.262636
  H      -5.585185     -2.321357      5.927556
  N      -1.956827      2.586699      3.181086
  N      -2.097542      3.333798      2.080861
  H      -1.813525      4.747236      4.042053
  H      -3.055256      3.554759      1.796415
  H      -1.506388      3.052258      1.296014
91
Coordinates from ORCA-job orca E -6562.689472523874
  N      -1.403169      0.588680      5.467107
  Mo     -2.479827      2.160919      4.852281
  N      -4.243257      2.422130      5.793112
  C      -4.234671      2.807767      7.206526
  C      -2.968893      2.292903      7.881358
  N      -1.785874      2.709603      7.082906
  C      -0.583565      1.880170      7.339510
  C      -0.779570      0.489232      6.776412
  C      -1.473451      4.145652      7.299428
  C      -1.103191      4.797921      5.983880
  N      -2.179530      4.521236      5.008226
  H       0.207560     -0.006412      6.714139
  H      -1.396115     -0.131123      7.458153
  H       0.255248      2.370337      6.824861
  H      -0.353738      1.846249      8.419156
  H      -0.937405      5.880679      6.115494
  H      -0.177891      4.363591      5.577993
  H      -2.361850      4.631735      7.724141
  H      -0.665165      4.256823      8.039287
  H      -5.100989      2.379053      7.733940
  H      -4.316137      3.906447      7.322324
  H      -3.009664      1.197158      7.888626
  H      -2.878226      2.656001      8.920856
  C      -3.788019     -6.852801      3.351784
  C      -3.027598     -5.607158      3.724018
  O      -2.036484     -5.642947      4.443325
  C      -3.531798     -4.285620      3.212647
  C      -4.560597     -4.169009      2.264906
  C      -5.005115     -2.915872      1.849845
  C      -4.439983     -1.777543      2.405982
  F      -4.898371     -0.584919      1.986156
  C      -3.408781     -1.844343      3.372013
  C      -2.852873     -0.661438      4.022063
  O      -3.426782      0.451757      3.940891
  C      -1.589350     -0.695857      4.826337
  C      -2.963894     -3.126325      3.738135
  C      -6.159062     11.847921      2.227531
  C      -5.119710     10.755388      2.286845
  O      -4.141383     10.760167      1.549673
  C      -5.309134      9.641292      3.279525
  C      -6.411956      9.576526      4.148882
  C      -6.542369      8.523343      5.049119
  C      -5.563984      7.537523      5.076718
  F      -5.728610      6.527818      5.967336
  C      -4.442890      7.555236      4.228206
  C      -3.354777      6.535213      4.197300
  O      -2.449796      6.612030      3.371831
  C      -3.369771      5.369609      5.179060
  C      -4.347685      8.631574      3.333426
  C      -7.947187     -5.350742      4.278790
  C      -6.988184     -4.351185      4.880086
  O      -5.989349     -4.719318      5.490946
  C      -7.276904     -2.890990      4.704008
  C      -8.346642     -2.422184      3.921178
  C      -8.551701     -1.057016      3.750732
  C      -7.678987     -0.163620      4.362045
  F      -7.915927      1.156643      4.177639
  C      -6.601075     -0.579650      5.159673
  C      -5.594344      0.320216      5.818571
  O      -4.847234     -0.139596      6.674003
  C      -5.461611      1.778245      5.356195
  C      -6.432632     -1.961995      5.317171
  H      -3.301549     -7.723327      3.803298
  H      -4.824434     -6.777348      3.716243
  H      -3.830180     -6.980798      2.259407
  H      -5.025467     -5.060015      1.842441
  H      -5.795099     -2.804002      1.107179
  H      -0.753233     -0.973917      4.147411
  H      -1.647711     -1.511607      5.572378
  H      -2.175978     -3.250872      4.481199
  H      -6.245184     12.357822      3.199446
  H      -7.150517     11.430795      1.993003
  H      -5.875714     12.573023      1.457919
  H      -7.179104     10.350675      4.128323
  H      -7.389750      8.452188      5.731112
  H      -3.443419      5.749952      6.206591
  H      -4.278784      4.765276      5.020497
  H      -3.491311      8.677108      2.659266
  H      -8.972973     -5.183910      4.639979
  H      -7.625617     -6.363658      4.542627
  H      -7.972141     -5.249238      3.182280
  H      -9.027065     -3.121572      3.435238
  H      -9.378075     -0.670731      3.153879
  H      -6.356509      2.321720      5.718109
  H      -5.537817      1.795552      4.259514
  H      -5.602327     -2.317754      5.928414
  N      -1.907392      2.591670      3.198083
  N      -2.028145      3.364029      2.112466
  H      -1.816849      4.762825      4.071912
  H      -2.982264      3.564609      1.800097
  H      -1.406370      3.109639      1.341490
91
Coordinates from ORCA-job orca E -6562.689444865774
  N      -1.414313      0.591415      5.470336
  Mo     -2.487653      2.166791      4.861806
  N      -4.252769      2.434785      5.796656
  C      -4.246232      2.818007      7.210633
  C      -2.986508      2.293475      7.890039
  N      -1.796636      2.704041      7.099612
  C      -0.602137      1.864574      7.358718
  C      -0.804107      0.478311      6.785522
  C      -1.473274      4.136487      7.322184
  C      -1.089893      4.787705      6.009607
  N      -2.164173      4.527228      5.026823
  H       0.179357     -0.024997      6.729449
  H      -1.432642     -0.141172      7.456792
  H       0.243193      2.351425      6.851584
  H      -0.378780      1.822829      8.439472
  H      -0.912759      5.868351      6.145265
  H      -0.167532      4.344152      5.607406
  H      -2.359297      4.630119      7.743107
  H      -0.667703      4.238817      8.066346
  H      -5.117341      2.394144      7.734011
  H      -4.321323      3.916854      7.327418
  H      -3.034843      1.198092      7.893288
  H      -2.899857      2.652377      8.931386
  C      -3.793603     -6.838313      3.306186
  C      -3.037982     -5.594245      3.693043
  O      -2.045759     -5.634498      4.410359
  C      -3.542311     -4.269917      3.189149
  C      -4.570282     -4.147762      2.241177
  C      -5.015000     -2.892680      1.833055
  C      -4.450891     -1.757440      2.396287
  F      -4.908655     -0.562250      1.982332
  C      -3.420463     -1.830050      3.362612
  C      -2.864551     -0.650211      4.019201
  O      -3.441418      0.462772      3.949417
  C      -1.596083     -0.687477      4.816224
  C      -2.974966     -3.113631      3.721838
  C      -6.171587     11.810764      2.176965
  C      -5.133229     10.717447      2.239320
  O      -4.165375     10.708094      1.488606
  C      -5.307644      9.623649      3.257000
  C      -6.398644      9.575361      4.142260
  C      -6.515889      8.540226      5.064819
  C      -5.536310      7.555865      5.098986
  F      -5.687982      6.564298      6.012219
  C      -4.426284      7.558160      4.235503
  C      -3.336907      6.539653      4.210782
  O      -2.438879      6.605053      3.377170
  C      -3.347765      5.383570      5.202337
  C      -4.344371      8.616403      3.318514
  C      -7.914802     -5.357785      4.289553
  C      -6.963375     -4.354341      4.896045
  O      -5.953816     -4.717584      5.491915
  C      -7.259615     -2.895495      4.720308
  C      -8.334721     -2.432148      3.941556
  C      -8.547479     -1.068224      3.771746
  C      -7.676794     -0.170265      4.378818
  F      -7.921077      1.149139      4.196005
  C      -6.593185     -0.580809      5.171553
  C      -5.588089      0.324952      5.823715
  O      -4.849593     -0.123059      6.693168
  C      -5.467715      1.784083      5.361208
  C      -6.417152     -1.962206      5.329286
  H      -3.305693     -7.711923      3.750100
  H      -4.830934     -6.769424      3.669219
  H      -3.832621     -6.955219      2.212486
  H      -5.034427     -5.036247      1.812669
  H      -5.804292     -2.776667      1.090285
  H      -0.761823     -0.952821      4.130138
  H      -1.645927     -1.511486      5.553438
  H      -2.187474     -3.242405      4.464576
  H      -6.241413     12.337671      3.141028
  H      -7.167082     11.391361      1.965005
  H      -5.898975     12.521689      1.390446
  H      -7.166916     10.348176      4.116742
  H      -7.353863      8.482098      5.759528
  H      -3.404161      5.776323      6.226493
  H      -4.262634      4.783478      5.061745
  H      -3.496907      8.649452      2.632476
  H      -8.940747     -5.202824      4.655201
  H      -7.583168     -6.369694      4.544661
  H      -7.943739     -5.247960      3.193946
  H      -9.013905     -3.134954      3.458889
  H      -9.378478     -0.686091      3.178643
  H      -6.365904      2.321588      5.724351
  H      -5.544725      1.800654      4.264717
  H      -5.582269     -2.313511      5.936786
  N      -1.915907      2.593835      3.204882
  N      -2.044438      3.353968      2.112705
  H      -1.794864      4.780997      4.093828
  H      -2.998970      3.579371      1.819998
  H      -1.443179      3.082918      1.331434
91
Coordinates from ORCA-job orca E -6562.689493362204
  N      -1.389667      0.587940      5.476448
  Mo     -2.456056      2.170052      4.870820
  N      -4.224547      2.433711      5.808544
  C      -4.215790      2.801607      7.227279
  C      -2.953148      2.276368      7.898305
  N      -1.766824      2.696661      7.105224
  C      -0.568004      1.861290      7.358284
  C      -0.769860      0.475281      6.786031
  C      -1.449715      4.130413      7.332312
  C      -1.070655      4.790278      6.023207
  N      -2.144274      4.528851      5.040424
  H       0.214357     -0.025836      6.722552
  H      -1.392177     -0.145411      7.462141
  H       0.273201      2.351196      6.847321
  H      -0.340009      1.819720      8.438043
  H      -0.898722      5.870768      6.163991
  H      -0.146404      4.353388      5.617456
  H      -2.338253      4.617519      7.755356
  H      -0.644679      4.232635      8.077005
  H      -5.085155      2.370393      7.747618
  H      -4.293594      3.899036      7.356455
  H      -2.997694      1.180825      7.893884
  H      -2.861738      2.628830      8.941315
  C      -3.836323     -6.824039      3.332755
  C      -3.065914     -5.585751      3.709177
  O      -2.069757     -5.633386      4.420884
  C      -3.559133     -4.258175      3.202974
  C      -4.589229     -4.129827      2.258317
  C      -5.023408     -2.871484      1.847876
  C      -4.446995     -1.739901      2.406202
  F      -4.895773     -0.542024      1.991092
  C      -3.413921     -1.818286      3.369493
  C      -2.847430     -0.642741      4.022939
  O      -3.412099      0.475758      3.947413
  C      -1.582009     -0.689745      4.824092
  C      -2.979339     -3.105525      3.730059
  C      -6.248973     11.740436      2.142319
  C      -5.195568     10.662436      2.214551
  O      -4.230726     10.657024      1.459768
  C      -5.351591      9.578077      3.245035
  C      -6.439037      9.524742      4.134235
  C      -6.539168      8.498390      5.068651
  C      -5.546145      7.527677      5.110099
  F      -5.680631      6.543967      6.033942
  C      -4.438717      7.535690      4.243679
  C      -3.335511      6.531952      4.226082
  O      -2.431637      6.613368      3.399547
  C      -3.334947      5.376592      5.218602
  C      -4.373910      8.585286      3.314965
  C      -7.956267     -5.318814      4.248012
  C      -6.992582     -4.325922      4.852689
  O      -5.984998     -4.700544      5.445092
  C      -7.277819     -2.863920      4.688227
  C      -8.350759     -2.385734      3.915495
  C      -8.550796     -1.018533      3.755150
  C      -7.670005     -0.132796      4.366362
  F      -7.901905      1.189556      4.190786
  C      -6.589264     -0.558621      5.154838
  C      -5.573271      0.331675      5.813540
  O      -4.832547     -0.134424      6.671098
  C      -5.442564      1.793701      5.366948
  C      -6.425942     -1.942503      5.301908
  H      -3.354464     -7.700038      3.778630
  H      -4.871636     -6.744272      3.699375
  H      -3.881889     -6.946594      2.239847
  H      -5.062890     -5.015558      1.834607
  H      -5.814201     -2.750543      1.107550
  H      -0.749413     -0.962262      4.138420
  H      -1.638861     -1.512143      5.562499
  H      -2.190268     -3.239214      4.470265
  H      -6.323362     12.278450      3.099922
  H      -7.239539     11.305251      1.938904
  H      -5.988542     12.445200      1.346192
  H      -7.217649     10.286968      4.102478
  H      -7.373819      8.436605      5.767039
  H      -3.397409      5.766724      6.243270
  H      -4.244054      4.768955      5.072613
  H      -3.528619      8.622911      2.626563
  H      -8.979183     -5.156212      4.618991
  H      -7.632531     -6.334536      4.497986
  H      -7.990109     -5.205328      3.152919
  H      -9.037262     -3.079050      3.429365
  H      -9.379065     -0.624974      3.165786
  H      -6.337581      2.332530      5.735977
  H      -5.520600      1.823356      4.270435
  H      -5.592841     -2.305884      5.904765
  N      -1.864797      2.601250      3.222556
  N      -1.956137      3.384879      2.142243
  H      -1.773381      4.769434      4.106037
  H      -2.901422      3.593748      1.809142
  H      -1.315357      3.136459      1.384832
91
Coordinates from ORCA-job orca E -6562.689508219738
  N      -1.389426      0.586762      5.484373
  Mo     -2.456198      2.171916      4.890525
  N      -4.220892      2.443026      5.833733
  C      -4.206459      2.813723      7.251923
  C      -2.949486      2.273758      7.922900
  N      -1.760419      2.685927      7.131333
  C      -0.568276      1.840090      7.380199
  C      -0.778188      0.459681      6.797038
  C      -1.432929      4.115905      7.364460
  C      -1.054221      4.779399      6.057524
  N      -2.132833      4.529573      5.077835
  H       0.202457     -0.048462      6.735395
  H      -1.409225     -0.161091      7.464885
  H       0.277387      2.327460      6.874088
  H      -0.342058      1.788819      8.459928
  H      -0.875209      5.858307      6.202954
  H      -0.134087      4.338585      5.646617
  H      -2.316808      4.606870      7.792923
  H      -0.624393      4.209817      8.106431
  H      -5.080382      2.394200      7.774104
  H      -4.270620      3.912423      7.378825
  H      -3.004491      1.178693      7.916158
  H      -2.855831      2.623180      8.966835
  C      -3.825316     -6.809117      3.269011
  C      -3.052220     -5.573939      3.650372
  O      -2.060277     -5.625880      4.367619
  C      -3.551702     -4.241936      3.162284
  C      -4.584448     -4.105206      2.221651
  C      -5.023492     -2.843173      1.827771
  C      -4.449279     -1.716832      2.398713
  F      -4.902345     -0.515203      1.999093
  C      -3.414005     -1.803900      3.358926
  C      -2.848801     -0.634121      4.023557
  O      -3.419446      0.482274      3.965080
  C      -1.577694     -0.683602      4.815501
  C      -2.974677     -3.094065      3.702821
  C      -6.276756     11.669673      2.065129
  C      -5.222555     10.593224      2.149679
  O      -4.271082     10.565387      1.378570
  C      -5.363572      9.535929      3.210101
  C      -6.438562      9.505221      4.115341
  C      -6.525019      8.503167      5.077176
  C      -5.530830      7.534175      5.130131
  F      -5.652650      6.574355      6.080358
  C      -4.435319      7.520236      4.248619
  C      -3.331515      6.517133      4.241395
  O      -2.436438      6.580816      3.403441
  C      -3.318039      5.384212      5.259768
  C      -4.384203      8.545661      3.292436
  C      -7.961946     -5.298613      4.252722
  C      -6.993871     -4.307845      4.854111
  O      -5.994130     -4.685023      5.457978
  C      -7.278980     -2.845140      4.694599
  C      -8.349436     -2.364299      3.920047
  C      -8.550100     -0.996554      3.765218
  C      -7.672885     -0.112776      4.384261
  F      -7.905681      1.210127      4.214599
  C      -6.594800     -0.541150      5.174970
  C      -5.584870      0.347529      5.844281
  O      -4.836870     -0.126533      6.691107
  C      -5.443707      1.808351      5.395010
  C      -6.430459     -1.925661      5.316081
  H      -3.344587     -7.688137      3.710147
  H      -4.860051     -6.729342      3.637164
  H      -3.871858     -6.926124      2.175555
  H      -5.056302     -4.987062      1.787895
  H      -5.816256     -2.715360      1.090680
  H      -0.748437     -0.939443      4.119504
  H      -1.622392     -1.517153      5.541959
  H      -2.183818     -3.234735      4.439826
  H      -6.335881     12.232871      3.009243
  H      -7.270543     11.230057      1.888558
  H      -6.028483     12.352888      1.246623
  H      -7.218205     10.266013      4.074765
  H      -7.350002      8.459120      5.788314
  H      -3.358314      5.799788      6.275781
  H      -4.231816      4.776471      5.145612
  H      -3.548411      8.565980      2.591780
  H      -8.984750     -5.128751      4.620926
  H      -7.644089     -6.314828      4.508301
  H      -7.992838     -5.190215      3.157051
  H      -9.033501     -3.055943      3.428126
  H      -9.376600     -0.600960      3.174671
  H      -6.334105      2.352831      5.766542
  H      -5.524981      1.838266      4.298892
  H      -5.600074     -2.291056      5.921506
  N      -1.873677      2.610201      3.241162
  N      -1.979873      3.383419      2.157558
  H      -1.767704      4.783026      4.141604
  H      -2.928083      3.609797      1.845540
  H      -1.356698      3.128169      1.388310
91
Coordinates from ORCA-job orca E -6562.689544417637
  N      -1.389592      0.589063      5.482350
  Mo     -2.455447      2.174614      4.888793
  N      -4.223465      2.445801      5.827138
  C      -4.212282      2.814850      7.245562
  C      -2.957098      2.273950      7.919332
  N      -1.765422      2.685605      7.131596
  C      -0.574933      1.838370      7.383392
  C      -0.784278      0.458776      6.797696
  C      -1.436461      4.114866      7.367133
  C      -1.050771      4.777807      6.061898
  N      -2.126489      4.532958      5.077695
  H       0.195768     -0.050821      6.739625
  H      -1.419370     -0.161927      7.461674
  H       0.272684      2.325400      6.880217
  H      -0.352090      1.785920      8.463749
  H      -0.868691      5.856056      6.208936
  H      -0.130637      4.334308      5.654146
  H      -2.321116      4.607814      7.791610
  H      -0.630950      4.206810      8.112662
  H      -5.087482      2.394705      7.765098
  H      -4.277264      3.913337      7.373429
  H      -3.012723      1.178976      7.911205
  H      -2.866192      2.622182      8.963913
  C      -3.831454     -6.804631      3.267539
  C      -3.059822     -5.569968      3.653122
  O      -2.063365     -5.623760      4.363848
  C      -3.556311     -4.237770      3.162597
  C      -4.588579     -4.100379      2.221493
  C      -5.025599     -2.838325      1.825963
  C      -4.449876     -1.712229      2.395722
  F      -4.901213     -0.510215      1.994804
  C      -3.414937     -1.800013      3.356197
  C      -2.848704     -0.630246      4.020405
  O      -3.419080      0.486597      3.962885
  C      -1.576530     -0.680208      4.810794
  C      -2.977285     -3.090268      3.701638
  C      -6.282160     11.665141      2.064053
  C      -5.226588     10.589964      2.147303
  O      -4.275694     10.563429      1.375470
  C      -5.363889      9.534292      3.209802
  C      -6.437836      9.502837      4.116303
  C      -6.521113      8.502259      5.079859
  C      -5.524796      7.535542      5.133418
  F      -5.643835      6.576864      6.085311
  C      -4.429846      7.522934      4.251034
  C      -3.322840      6.523391      4.245652
  O      -2.425638      6.590561      3.410501
  C      -3.310878      5.387931      5.260419
  C      -4.382107      8.546665      3.293068
  C      -7.959812     -5.303364      4.261593
  C      -6.991331     -4.312138      4.861291
  O      -5.985325     -4.688531      5.455156
  C      -7.276364     -2.849652      4.699391
  C      -8.349336     -2.370326      3.927361
  C      -8.550490     -1.003002      3.770401
  C      -7.671344     -0.117916      4.384578
  F      -7.904890      1.204794      4.213454
  C      -6.590571     -0.544669      5.172469
  C      -5.579042      0.345862      5.836617
  O      -4.833994     -0.123499      6.688864
  C      -5.443547      1.807267      5.387457
  C      -6.425562     -1.928915      5.315828
  H      -3.349274     -7.684679      3.705007
  H      -4.865844     -6.727231      3.637054
  H      -3.878784     -6.917629      2.173686
  H      -5.061845     -4.981980      1.788781
  H      -5.818116     -2.710147      1.088676
  H      -0.747701     -0.933244      4.113268
  H      -1.619208     -1.515187      5.535585
  H      -2.186886     -3.231385      4.439027
  H      -6.341212     12.227763      3.008473
  H      -7.275469     11.224338      1.887978
  H      -6.035386     12.348984      1.245619
  H      -7.219169     10.261826      4.075337
  H      -7.345191      8.457632      5.791989
  H      -3.349488      5.802044      6.277224
  H      -4.225506      4.781748      5.145328
  H      -3.546846      8.567834      2.591823
  H      -8.981310     -5.136039      4.634355
  H      -7.638991     -6.319500      4.513742
  H      -7.995295     -5.192689      3.166282
  H      -9.035251     -3.062893      3.439373
  H      -9.379052     -0.608565      3.181973
  H      -6.336517      2.348499      5.757989
  H      -5.523745      1.836588      4.291311
  H      -5.593063     -2.292992      5.919102
  N      -1.868037      2.611369      3.240367
  N      -1.966777      3.381718      2.153901
  H      -1.757689      4.787192      4.142264
  H      -2.912375      3.614759      1.839182
  H      -1.342988      3.121391      1.386909
91
Coordinates from ORCA-job orca E -6562.689552231996
  N      -1.385482      0.591732      5.482790
  Mo     -2.448466      2.180881      4.895275
  N      -4.220395      2.452130      5.829836
  C      -4.211403      2.815164      7.249801
  C      -2.959536      2.268460      7.924873
  N      -1.764310      2.679614      7.142266
  C      -0.577433      1.827569      7.394725
  C      -0.788917      0.451546      6.801265
  C      -1.431181      4.106837      7.384776
  C      -1.037561      4.773095      6.083587
  N      -2.110793      4.538435      5.094335
  H       0.189203     -0.061955      6.746434
  H      -1.430885     -0.169600      7.458093
  H       0.273574      2.314176      6.896866
  H      -0.358980      1.769491      8.475668
  H      -0.850644      5.849838      6.236072
  H      -0.118258      4.326794      5.677161
  H      -2.315850      4.601996      7.806573
  H      -0.628710      4.192807      8.134310
  H      -5.089099      2.395379      7.765461
  H      -4.274286      3.913206      7.381869
  H      -3.018074      1.173724      7.912035
  H      -2.870551      2.612210      8.971114
  C      -3.853891     -6.787000      3.252179
  C      -3.075383     -5.556390      3.636630
  O      -2.079076     -5.615149      4.347133
  C      -3.568401     -4.221335      3.150563
  C      -4.602305     -4.078164      2.212115
  C      -5.035563     -2.813791      1.820156
  C      -4.454698     -1.691099      2.391230
  F      -4.902401     -0.486494      1.993694
  C      -3.418087     -1.784693      3.349418
  C      -2.847325     -0.618323      4.015749
  O      -3.415839      0.500033      3.963904
  C      -1.572346     -0.672749      4.801693
  C      -2.984096     -3.077202      3.690998
  C      -6.314204     11.618616      2.027667
  C      -5.253949     10.548484      2.115609
  O      -4.310379     10.514570      1.335118
  C      -5.376832      9.507881      3.194574
  C      -6.443126      9.484353      4.110328
  C      -6.513576      8.497337      5.088727
  C      -5.512162      7.536235      5.147839
  F      -5.618821      6.590609      6.114194
  C      -4.423856      7.516915      4.257337
  C      -3.310406      6.524587      4.259003
  O      -2.415504      6.589521      3.421278
  C      -3.293623      5.394779      5.279242
  C      -4.389119      8.526887      3.284415
  C      -7.958785     -5.299282      4.267189
  C      -6.986660     -4.308810      4.862018
  O      -5.976652     -4.685842      5.448688
  C      -7.270963     -2.846166      4.700274
  C      -8.345676     -2.366320      3.930961
  C      -8.546289     -0.998949      3.774153
  C      -7.665161     -0.114203      4.385883
  F      -7.898356      1.208695      4.215155
  C      -6.582703     -0.541454      5.171151
  C      -5.569238      0.348673      5.832877
  O      -4.827188     -0.119247      6.688651
  C      -5.438319      1.811645      5.387941
  C      -6.418003     -1.925787      5.314206
  H      -3.375556     -7.669472      3.688978
  H      -4.887443     -6.704356      3.622933
  H      -3.903076     -6.899797      2.158398
  H      -5.079606     -4.957147      1.778551
  H      -5.829152     -2.681113      1.084830
  H      -0.745786     -0.917635      4.098540
  H      -1.609929     -1.513416      5.519821
  H      -2.192500     -3.222931      4.426193
  H      -6.368097     12.192398      2.965625
  H      -7.307177     11.172073      1.864677
  H      -6.076527     12.293276      1.198979
  H      -7.228482     10.238900      4.064961
  H      -7.331440      8.459008      5.808338
  H      -3.323781      5.816525      6.293449
  H      -4.209703      4.789146      5.173745
  H      -3.559293      8.542430      2.576632
  H      -8.978248     -5.131008      4.644956
  H      -7.637483     -6.315649      4.517771
  H      -7.999567     -5.188655      3.172058
  H      -9.033434     -3.058504      3.445044
  H      -9.376096     -0.604124      3.187742
  H      -6.333309      2.349115      5.759469
  H      -5.518138      1.843718      4.291871
  H      -5.584038     -2.290184      5.915237
  N      -1.851038      2.619882      3.250695
  N      -1.935545      3.389997      2.163439
  H      -1.738031      4.796413      4.162132
  H      -2.876074      3.634676      1.842778
  H      -1.307352      3.126797      1.401144
91
Coordinates from ORCA-job orca E -6562.689561921506
  N      -1.371343      0.594529      5.487439
  Mo     -2.432033      2.187789      4.909295
  N      -4.208265      2.459805      5.841475
  C      -4.200464      2.816222      7.263365
  C      -2.953616      2.260061      7.939619
  N      -1.754305      2.669641      7.162400
  C      -0.572445      1.810633      7.414666
  C      -0.787439      0.440099      6.810081
  C      -1.415444      4.094035      7.414055
  C      -1.014570      4.765941      6.118165
  N      -2.086312      4.543695      5.124961
  H       0.187828     -0.079094      6.759530
  H      -1.439079     -0.181437      7.456852
  H       0.283175      2.296609      6.924108
  H      -0.359673      1.744071      8.496226
  H      -0.822370      5.840737      6.278276
  H      -0.096662      4.317344      5.711047
  H      -2.299632      4.591431      7.834233
  H      -0.615664      4.171991      8.167329
  H      -5.082120      2.399804      7.775089
  H      -4.257509      3.913995      7.399937
  H      -3.017196      1.165711      7.921351
  H      -2.865780      2.598482      8.987728
  C      -3.864133     -6.765755      3.219936
  C      -3.083384     -5.538991      3.612121
  O      -2.078880     -5.605586      4.310348
  C      -3.573379     -4.199896      3.134141
  C      -4.610792     -4.048902      2.200834
  C      -5.040683     -2.781152      1.815922
  C      -4.452968     -1.663258      2.389242
  F      -4.897170     -0.455219      1.998119
  C      -3.412743     -1.764643      3.342931
  C      -2.836302     -0.603201      4.012545
  O      -3.403762      0.516370      3.970209
  C      -1.556648     -0.662287      4.790898
  C      -2.982135     -3.060361      3.676865
  C      -6.375449     11.529089      1.964021
  C      -5.309840     10.464851      2.058008
  O      -4.382549     10.413214      1.259124
  C      -5.406376      9.453046      3.166626
  C      -6.455612      9.448255      4.102144
  C      -6.502747      8.486885      5.107139
  C      -5.495132      7.532674      5.172941
  F      -5.579066      6.612091      6.165260
  C      -4.422487      7.496232      4.264219
  C      -3.301859      6.512027      4.273285
  O      -2.412061      6.572032      3.429571
  C      -3.268038      5.400878      5.313141
  C      -4.411047      8.480576      3.264752
  C      -7.990106     -5.271948      4.263508
  C      -7.007194     -4.288269      4.851875
  O      -5.992582     -4.672179      5.426038
  C      -7.284010     -2.823751      4.694843
  C      -8.359217     -2.335952      3.931218
  C      -8.552757     -0.967056      3.778802
  C      -7.664615     -0.088775      4.389812
  F      -7.891318      1.235759      4.223567
  C      -6.581723     -0.524090      5.170005
  C      -5.561814      0.358416      5.832322
  O      -4.819974     -0.117267      6.683987
  C      -5.426853      1.823341      5.395605
  C      -6.423763     -1.909704      5.308012
  H      -3.384060     -7.652302      3.646477
  H      -4.896039     -6.686326      3.595780
  H      -3.918091     -6.868775      2.125342
  H      -5.093183     -4.924349      1.765716
  H      -5.836833     -2.642181      1.084543
  H      -0.733923     -0.891504      4.077917
  H      -1.583482     -1.512612      5.497485
  H      -2.187896     -3.212597      4.407884
  H      -6.415577     12.124200      2.889289
  H      -7.369461     11.075583      1.828625
  H      -6.154981     12.185036      1.115767
  H      -7.245839     10.197379      4.051410
  H      -7.307006      8.463330      5.842557
  H      -3.281035      5.844008      6.319037
  H      -4.184888      4.792583      5.233462
  H      -3.593806      8.482241      2.542335
  H      -9.005350     -5.098157      4.650043
  H      -7.672752     -6.290674      4.509502
  H      -8.039482     -5.159210      3.168917
  H      -9.052670     -3.022993      3.446055
  H      -9.382527     -0.566095      3.196496
  H      -6.321126      2.360155      5.769995
  H      -5.506808      1.862079      4.299783
  H      -5.589510     -2.280290      5.904859
  N      -1.820583      2.631848      3.271208
  N      -1.885438      3.400842      2.183529
  H      -1.711339      4.807063      4.196017
  H      -2.818421      3.661300      1.853799
  H      -1.248707      3.136092      1.429123
91
Coordinates from ORCA-job orca E -6562.689581582934
  N      -1.355929      0.595811      5.492427
  Mo     -2.412428      2.194162      4.921978
  N      -4.191378      2.467910      5.852884
  C      -4.184821      2.817738      7.276637
  C      -2.942515      2.252653      7.953479
  N      -1.739778      2.660509      7.180437
  C      -0.562785      1.794631      7.431944
  C      -0.782321      0.429174      6.818108
  C      -1.395362      4.082226      7.440201
  C      -0.989100      4.759675      6.149028
  N      -2.060395      4.547886      5.153480
  H       0.190017     -0.095698      6.770521
  H      -1.442203     -0.191897      7.456858
  H       0.297070      2.279312      6.947546
  H      -0.354716      1.720419      8.513910
  H      -0.792574      5.832635      6.316104
  H      -0.072579      4.309578      5.740247
  H      -2.278824      4.581504      7.859783
  H      -0.597492      4.152768      8.196193
  H      -5.070026      2.404132      7.784618
  H      -4.236226      3.915192      7.418104
  H      -3.010904      1.158646      7.930747
  H      -2.855121      2.586433      9.003111
  C      -3.891738     -6.743672      3.203944
  C      -3.101144     -5.522973      3.595467
  O      -2.097116     -5.597353      4.293712
  C      -3.584443     -4.179468      3.123079
  C      -4.623266     -4.019734      2.192870
  C      -5.046098     -2.748225      1.812286
  C      -4.450065     -1.635643      2.387265
  F      -4.887300     -0.423885      2.000000
  C      -3.408357     -1.745728      3.338580
  C      -2.824831     -0.589634      4.010672
  O      -3.388751      0.532021      3.974865
  C      -1.542167     -0.654574      4.783757
  C      -2.984858     -3.045103      3.667630
  C      -6.448189     11.431820      1.906859
  C      -5.374479     10.376336      2.006711
  O      -4.464917     10.307225      1.188923
  C      -5.441118      9.394609      3.144215
  C      -6.471735      9.407899      4.100106
  C      -6.492612      8.473127      5.130795
  C      -5.477486      7.527240      5.201583
  F      -5.535324      6.633020      6.219407
  C      -4.422167      7.474139      4.273714
  C      -3.294309      6.498261      4.287203
  O      -2.415469      6.548865      3.431273
  C      -3.241268      5.405592      5.345919
  C      -4.436900      8.431903      3.248639
  C      -8.014378     -5.240458      4.248625
  C      -7.023933     -4.263439      4.835602
  O      -6.010480     -4.654222      5.407232
  C      -7.292428     -2.797059      4.681837
  C      -8.363371     -2.301385      3.917291
  C      -8.548624     -0.931007      3.767518
  C      -7.656818     -0.059197      4.382625
  F      -7.875457      1.266835      4.218310
  C      -6.578247     -0.502472      5.164371
  C      -5.554593      0.372264      5.831742
  O      -4.813888     -0.112267      6.679344
  C      -5.411685      1.838350      5.401990
  C      -6.428373     -1.889316      5.299044
  H      -3.417883     -7.633956      3.629676
  H      -4.922790     -6.656678      3.580562
  H      -3.947361     -6.846033      2.109355
  H      -5.112101     -4.891147      1.756844
  H      -5.843090     -2.602257      1.083194
  H      -0.722719     -0.872216      4.063292
  H      -1.561929     -1.512538      5.480764
  H      -2.189731     -3.204535      4.396150
  H      -6.475245     12.049482      2.817712
  H      -7.441646     10.969054      1.801636
  H      -6.248211     12.067606      1.038410
  H      -7.268029     10.150301      4.045117
  H      -7.282045      8.463917      5.882425
  H      -3.238866      5.868461      6.343360
  H      -4.157816      4.794154      5.291208
  H      -3.633810      8.419741      2.510640
  H      -9.027972     -5.059429      4.636234
  H      -7.703800     -6.261349      4.494269
  H      -8.064317     -5.127674      3.154045
  H      -9.059606     -2.983324      3.428871
  H      -9.374607     -0.524001      3.184016
  H      -6.304325      2.377121      5.777387
  H      -5.489959      1.882543      4.306187
  H      -5.597294     -2.265981      5.896533
  N      -1.787815      2.643520      3.290746
  N      -1.832667      3.412583      2.203605
  H      -1.685074      4.816598      4.227116
  H      -2.757976      3.685632      1.862945
  H      -1.185441      3.147570      1.458466
91
Coordinates from ORCA-job orca E -6562.689598404263
  N      -1.330979      0.598670      5.501247
  Mo     -2.384804      2.203418      4.945791
  N      -4.163857      2.477711      5.879730
  C      -4.157571      2.812437      7.307387
  C      -2.918812      2.235883      7.980376
  N      -1.713978      2.646051      7.211703
  C      -0.541901      1.771889      7.457425
  C      -0.767635      0.414189      6.829187
  C      -1.364265      4.064121      7.484410
  C      -0.952494      4.751684      6.200148
  N      -2.022696      4.554485      5.200389
  H       0.201100     -0.117253      6.781985
  H      -1.436200     -0.207867      7.457731
  H       0.322001      2.256627      6.980373
  H      -0.337594      1.685274      8.539206
  H      -0.751312      5.822014      6.378321
  H      -0.037345      4.301277      5.788474
  H      -2.247013      4.563912      7.905110
  H      -0.568342      4.124668      8.243271
  H      -5.045728      2.398443      7.809925
  H      -4.203150      3.908514      7.460682
  H      -2.991475      1.142348      7.948732
  H      -2.830881      2.560395      9.032856
  C      -3.916069     -6.713061      3.177505
  C      -3.114860     -5.499824      3.570820
  O      -2.112162     -5.583920      4.269958
  C      -3.591141     -4.150583      3.107667
  C      -4.631625     -3.979332      2.181489
  C      -5.046994     -2.703017      1.808567
  C      -4.441836     -1.597448      2.387457
  F      -4.871302     -0.380873      2.006782
  C      -3.398238     -1.719106      3.335534
  C      -2.806274     -0.570179      4.011965
  O      -3.367787      0.553300      3.988553
  C      -1.517169     -0.641732      4.774054
  C      -2.982395     -3.023037      3.656468
  C      -6.561388     11.269660      1.812782
  C      -5.478235     10.224783      1.921449
  O      -4.601423     10.119147      1.072364
  C      -5.495517      9.297943      3.105900
  C      -6.492493      9.348329      4.095663
  C      -6.469875      8.462175      5.168440
  C      -5.445278      7.527188      5.246799
  F      -5.458424      6.682718      6.307619
  C      -4.422128      7.438748      4.286251
  C      -3.287453      6.471048      4.304432
  O      -2.428729      6.499832      3.427199
  C      -3.201850      5.414288      5.396843
  C      -4.479893      8.348276      3.219509
  C      -8.067907     -5.179546      4.209791
  C      -7.061657     -4.217996      4.795586
  O      -6.053576     -4.624298      5.365877
  C      -7.314310     -2.747626      4.654267
  C      -8.378413     -2.234096      3.892008
  C      -8.548115     -0.860595      3.752650
  C      -7.648037     -0.003658      4.376657
  F      -7.851945      1.325848      4.222416
  C      -6.575945     -0.465056      5.156942
  C      -5.543680      0.392910      5.833219
  O      -4.805478     -0.108470      6.673166
  C      -5.388221      1.862414      5.420372
  C      -6.441461     -1.854507      5.280363
  H      -3.449125     -7.608261      3.600560
  H      -4.946038     -6.618522      3.555250
  H      -3.973394     -6.812265      2.082711
  H      -5.127469     -4.845344      1.742643
  H      -5.844997     -2.547889      1.082483
  H      -0.703538     -0.839381      4.041210
  H      -1.523205     -1.511714      5.455509
  H      -2.186227     -3.191910      4.381711
  H      -6.560780     11.928374      2.694833
  H      -7.554577     10.796806      1.765011
  H      -6.397517     11.865705      0.909305
  H      -7.296553     10.081806      4.034290
  H      -7.232361      8.482724      5.947167
  H      -3.176124      5.911180      6.377749
  H      -4.117047      4.798342      5.383594
  H      -3.702757      8.307229      2.455268
  H      -9.077946     -4.983718      4.599562
  H      -7.772023     -6.205272      4.453391
  H      -8.118298     -5.064845      3.115432
  H      -9.081119     -2.904388      3.396736
  H      -9.368176     -0.439836      3.170560
  H      -6.277257      2.403639      5.800646
  H      -5.464781      1.919260      4.324977
  H      -5.615392     -2.244879      5.876007
  N      -1.749162      2.661476      3.321922
  N      -1.774388      3.427228      2.234291
  H      -1.647233      4.828721      4.276955
  H      -2.690276      3.723323      1.888117
  H      -1.120927      3.158130      1.496378
91
Coordinates from ORCA-job orca E -6562.689613300437
  N      -1.325792      0.597395      5.502469
  Mo     -2.377228      2.203864      4.946128
  N      -4.154943      2.479629      5.880501
  C      -4.150181      2.812515      7.308457
  C      -2.911545      2.235307      7.980998
  N      -1.706639      2.645600      7.212611
  C      -0.534815      1.770963      7.457966
  C      -0.761226      0.413271      6.829952
  C      -1.356940      4.063367      7.486031
  C      -0.944003      4.751559      6.202441
  N      -2.014016      4.555565      5.202298
  H       0.207427     -0.118273      6.781955
  H      -1.429192     -0.208678      7.459239
  H       0.329230      2.255367      6.980891
  H      -0.330306      1.684099      8.539715
  H      -0.742501      5.821597      6.381719
  H      -0.028842      4.301044      5.790883
  H      -2.239959      4.563063      7.906424
  H      -0.561499      4.123551      8.245450
  H      -5.038255      2.396888      7.809722
  H      -4.196289      3.908422      7.464159
  H      -2.984292      1.141766      7.949042
  H      -2.823683      2.559220      9.033656
  C      -3.934126     -6.709624      3.190302
  C      -3.128500     -5.499120      3.582797
  O      -2.129008     -5.585627      4.286257
  C      -3.597348     -4.149167      3.114275
  C      -4.633941     -3.976028      2.184100
  C      -5.043299     -2.699004      1.807059
  C      -4.436101     -1.594438      2.385777
  F      -4.860010     -0.377051      2.001544
  C      -3.396039     -1.718065      3.337389
  C      -2.801983     -0.569985      4.013268
  O      -3.361256      0.554429      3.988533
  C      -1.513504     -0.643265      4.776150
  C      -2.986077     -3.022754      3.662516
  C      -6.586033     11.247900      1.812320
  C      -5.500301     10.205507      1.919558
  O      -4.627392     10.098581      1.066648
  C      -5.509757      9.282719      3.107313
  C      -6.503561      9.331924      4.100377
  C      -6.473305      8.449501      5.176062
  C      -5.444068      7.519643      5.254203
  F      -5.449679      6.678831      6.317946
  C      -4.423957      7.432443      4.290274
  C      -3.285614      6.469073      4.307235
  O      -2.431518      6.496727      3.425463
  C      -3.193410      5.414600      5.401280
  C      -4.489664      8.337783      3.220475
  C      -8.072558     -5.166093      4.196557
  C      -7.068945     -4.207297      4.791354
  O      -6.065243     -4.616441      5.367346
  C      -7.315967     -2.736210      4.646942
  C      -8.373547     -2.220527      3.877109
  C      -8.538518     -0.846737      3.735114
  C      -7.640077      0.008394      4.363882
  F      -7.839647      1.338233      4.206773
  C      -6.574007     -0.455051      5.151342
  C      -5.543415      0.400922      5.832780
  O      -4.807554     -0.102688      6.673430
  C      -5.380625      1.869292      5.418034
  C      -6.444342     -1.844812      5.277319
  H      -3.472488     -7.605994      3.616698
  H      -4.964510     -6.608972      3.565560
  H      -3.989266     -6.811054      2.095614
  H      -5.131753     -4.841117      1.745667
  H      -5.838333     -2.542473      1.078011
  H      -0.699814     -0.842368      4.043745
  H      -1.520938     -1.513039      5.457866
  H      -2.193319     -3.193042      4.391141
  H      -6.581769     11.910993      2.691089
  H      -7.578344     10.772450      1.772604
  H      -6.428656     11.839943      0.905072
  H      -7.311272     10.061392      4.039252
  H      -7.233351      8.469167      5.957193
  H      -3.166291      5.911526      6.381917
  H      -4.107872      4.797328      5.390308
  H      -3.714991      8.297559      2.453673
  H      -9.085369     -4.968006      4.577879
  H      -7.781177     -6.192654      4.442041
  H      -8.113322     -5.050739      3.101852
  H      -9.074999     -2.889412      3.378163
  H      -9.353630     -0.424331      3.147290
  H      -6.268527      2.414949      5.794424
  H      -5.453134      1.924350      4.322226
  H      -5.623108     -2.236676      5.878676
  N      -1.741500      2.661809      3.322829
  N      -1.762427      3.424542      2.233261
  H      -1.638910      4.830293      4.277958
  H      -2.676543      3.723261      1.884700
  H      -1.107904      3.151952      1.497592
91
Coordinates from ORCA-job orca E -6562.689577660202
  N      -1.288408      0.597082      5.510461
  Mo     -2.331953      2.212645      4.960877
  N      -4.103130      2.490815      5.900216
  C      -4.106448      2.804265      7.331912
  C      -2.868166      2.220508      7.998689
  N      -1.662936      2.636413      7.234492
  C      -0.492775      1.757670      7.473123
  C      -0.722065      0.404383      6.836238
  C      -1.313129      4.050934      7.519962
  C      -0.890397      4.748493      6.244257
  N      -1.956683      4.567230      5.237556
  H       0.245702     -0.128327      6.783304
  H      -1.389698     -0.220565      7.462803
  H       0.372577      2.243502      7.000111
  H      -0.288498      1.662021      8.554302
  H      -0.685408      5.815625      6.435995
  H       0.024870      4.297729      5.833220
  H      -2.198156      4.549222      7.938362
  H      -0.522203      4.104646      8.284745
  H      -4.994076      2.376885      7.823631
  H      -4.155986      3.897832      7.507050
  H      -2.940768      1.127180      7.958693
  H      -2.781052      2.535070      9.054240
  C      -4.009137     -6.678295      3.228645
  C      -3.184069     -5.481508      3.621984
  O      -2.197719     -5.581201      4.342163
  C      -3.620449     -4.126866      3.136099
  C      -4.641853     -3.941562      2.191600
  C      -5.023785     -2.660167      1.801184
  C      -4.404533     -1.562583      2.380552
  F      -4.802469     -0.340118      1.984677
  C      -3.377981     -1.698805      3.344706
  C      -2.771509     -0.556813      4.019455
  O      -3.322812      0.571362      3.997960
  C      -1.479645     -0.638284      4.775815
  C      -2.995180     -3.007937      3.683767
  C      -6.744047     11.063330      1.762669
  C      -5.648356     10.030928      1.866453
  O      -4.810420      9.894374      0.983330
  C      -5.599563      9.158375      3.090874
  C      -6.560912      9.227039      4.114512
  C      -6.475719      8.389933      5.223049
  C      -5.423053      7.487149      5.304307
  F      -5.374376      6.691222      6.400765
  C      -4.433629      7.382370      4.310358
  C      -3.275800      6.442692      4.326412
  O      -2.451090      6.451964      3.416685
  C      -3.136318      5.423687      5.447410
  C      -4.555602      8.240259      3.207188
  C      -8.136116     -5.069888      4.117854
  C      -7.129635     -4.134370      4.744150
  O      -6.145741     -4.566718      5.337190
  C      -7.342325     -2.657893      4.598550
  C      -8.371992     -2.120202      3.806298
  C      -8.506983     -0.743353      3.663405
  C      -7.606326      0.093010      4.313569
  F      -7.778571      1.426619      4.155385
  C      -6.565633     -0.392299      5.122179
  C      -5.532689      0.442896      5.825621
  O      -4.810689     -0.079248      6.666959
  C      -5.335412      1.909904      5.417858
  C      -6.466198     -1.784826      5.248375
  H      -3.569819     -7.581336      3.664437
  H      -5.040081     -6.552917      3.595539
  H      -4.056854     -6.784319      2.134125
  H      -5.150182     -4.800554      1.753314
  H      -5.807063     -2.494456      1.061473
  H      -0.670194     -0.828321      4.036154
  H      -1.480507     -1.514872      5.448323
  H      -2.216039     -3.187553      4.424659
  H      -6.705554     11.765879      2.609385
  H      -7.732948     10.579849      1.789212
  H      -6.632014     11.614749      0.823676
  H      -7.386950      9.935499      4.051406
  H      -7.210586      8.425001      6.027373
  H      -3.089242      5.942578      6.415162
  H      -4.046356      4.799230      5.471444
  H      -3.805621      8.185060      2.417093
  H      -9.154906     -4.851919      4.471214
  H      -7.872842     -6.103123      4.366978
  H      -8.142918     -4.950156      3.022824
  H      -9.075541     -2.774399      3.291107
  H      -9.300471     -0.303950      3.058697
  H      -6.217310      2.473138      5.781782
  H      -5.389121      1.967225      4.321003
  H      -5.665487     -2.192815      5.866583
  N      -1.693229      2.674827      3.342606
  N      -1.686210      3.415671      2.240764
  H      -1.581274      4.847146      4.313241
  H      -2.585777      3.746518      1.884222
  H      -1.030688      3.118143      1.516061
91
Coordinates from ORCA-job orca E -6562.689579559606
  N      -1.279231      0.598930      5.507339
  Mo     -2.326825      2.213798      4.960139
  N      -4.093291      2.484462      5.906046
  C      -4.098634      2.789726      7.339053
  C      -2.854784      2.211185      7.999877
  N      -1.653916      2.636164      7.234065
  C      -0.478209      1.763328      7.466635
  C      -0.702163      0.409309      6.828887
  C      -1.311444      4.051498      7.522772
  C      -0.889759      4.753641      6.249076
  N      -1.953727      4.571826      5.240050
  H       0.269008     -0.116517      6.768989
  H      -1.360837     -0.221297      7.459317
  H       0.382686      2.254782      6.991349
  H      -0.269131      1.666994      8.546880
  H      -0.688481      5.820899      6.444231
  H       0.027589      4.306787      5.838552
  H      -2.199306      4.544674      7.941191
  H      -0.521658      4.107689      8.288700
  H      -4.981662      2.350977      7.828878
  H      -4.157231      3.881718      7.522221
  H      -2.920958      1.117545      7.956681
  H      -2.766824      2.522400      9.056378
  C      -4.012189     -6.679875      3.253265
  C      -3.186627     -5.483068      3.645240
  O      -2.202632     -5.581549      4.368795
  C      -3.618653     -4.129687      3.151797
  C      -4.637415     -3.946181      2.204064
  C      -5.015845     -2.665726      1.807336
  C      -4.395594     -1.566899      2.383333
  F      -4.790200     -0.345120      1.981861
  C      -3.371285     -1.701405      3.349915
  C      -2.763454     -0.557737      4.020914
  O      -3.315325      0.570125      3.998449
  C      -1.469760     -0.637172      4.774293
  C      -2.992087     -3.009693      3.695826
  C      -6.753173     11.060764      1.769793
  C      -5.659635     10.025725      1.869663
  O      -4.825107      9.887112      0.983646
  C      -5.611109      9.150064      3.091847
  C      -6.572696      9.215274      4.115465
  C      -6.486821      8.375645      5.222012
  C      -5.432581      7.474624      5.301908
  F      -5.384668      6.674768      6.395528
  C      -4.442525      7.373712      4.308098
  C      -3.282472      6.436711      4.323577
  O      -2.461004      6.443754      3.410850
  C      -3.135672      5.424741      5.449108
  C      -4.565821      8.233230      3.206459
  C      -8.158257     -5.052660      4.096096
  C      -7.149639     -4.123956      4.729060
  O      -6.170652     -4.563070      5.325248
  C      -7.353547     -2.646044      4.585586
  C      -8.378641     -2.101628      3.791946
  C      -8.506056     -0.723898      3.650931
  C      -7.602448      0.106598      4.304412
  F      -7.767705      1.441412      4.148299
  C      -6.565741     -0.385474      5.114106
  C      -5.529551      0.443281      5.820121
  O      -4.812194     -0.082819      6.662929
  C      -5.326838      1.911382      5.417544
  C      -6.473968     -1.778738      5.238355
  H      -3.574070     -7.582666      3.690749
  H      -5.042727     -6.552049      3.620505
  H      -4.060199     -6.787436      2.158961
  H      -5.146594     -4.805917      1.768276
  H      -5.797139     -2.501636      1.065168
  H      -0.661722     -0.826601      4.032831
  H      -1.467326     -1.513535      5.447140
  H      -2.215499     -3.187591      4.439789
  H      -6.709594     11.763379      2.616134
  H      -7.743046     10.579455      1.800015
  H      -6.643231     11.611817      0.830339
  H      -7.399729      9.922724      4.053701
  H      -7.222587      8.407381      6.025645
  H      -3.089402      5.945288      6.415820
  H      -4.044050      4.797762      5.474658
  H      -3.815555      8.180887      2.416442
  H      -9.177695     -4.829781      4.444369
  H      -7.901889     -6.087748      4.344704
  H      -8.158278     -4.931025      3.001231
  H      -9.084555     -2.751311      3.274344
  H      -9.295814     -0.279213      3.045214
  H      -6.207974      2.477443      5.778854
  H      -5.375182      1.970740      4.320579
  H      -5.676598     -2.191600      5.857655
  N      -1.695593      2.678737      3.340620
  N      -1.685068      3.409313      2.232483
  H      -1.577515      4.851293      4.317001
  H      -2.581671      3.749620      1.877540
  H      -1.034223      3.100488      1.508360
91
Coordinates from ORCA-job orca E -6562.689623979669
  N      -1.282930      0.600832      5.509597
  Mo     -2.330047      2.216172      4.960537
  N      -4.092964      2.481346      5.911086
  C      -4.100185      2.786179      7.344013
  C      -2.854378      2.210037      8.003691
  N      -1.654215      2.637817      7.238516
  C      -0.476247      1.767428      7.466722
  C      -0.696162      0.413573      6.826696
  C      -1.312838      4.052947      7.529407
  C      -0.893138      4.757965      6.256626
  N      -1.956979      4.576344      5.248431
  H       0.277967     -0.106273      6.760752
  H      -1.346863     -0.222337      7.460323
  H       0.382264      2.262855      6.991083
  H      -0.264328      1.669308      8.546295
  H      -0.693474      5.825381      6.453793
  H       0.024643      4.312952      5.845059
  H      -2.200975      4.544100      7.949231
  H      -0.522609      4.109307      8.295113
  H      -4.981367      2.343120      7.833263
  H      -4.163693      3.877752      7.526930
  H      -2.918619      1.116275      7.958905
  H      -2.766857      2.519820      9.060761
  C      -3.997332     -6.683352      3.242387
  C      -3.181638     -5.483017      3.644691
  O      -2.197142     -5.579961      4.367807
  C      -3.616692     -4.129929      3.152664
  C      -4.635535     -3.947558      2.204800
  C      -5.015384     -2.667287      1.808311
  C      -4.395947     -1.567888      2.384031
  F      -4.790738     -0.346538      1.981506
  C      -3.371597     -1.700967      3.350816
  C      -2.764587     -0.556261      4.021282
  O      -3.316722      0.571632      3.996919
  C      -1.471619     -0.634909      4.776281
  C      -2.991686     -3.009040      3.697077
  C      -6.735029     11.071726      1.768649
  C      -5.653686     10.023637      1.862710
  O      -4.821067      9.879506      0.975626
  C      -5.609984      9.148070      3.084911
  C      -6.566950      9.224501      4.111726
  C      -6.486131      8.384482      5.218336
  C      -5.441170      7.472277      5.295302
  F      -5.399496      6.671219      6.388185
  C      -4.454750      7.361180      4.299051
  C      -3.300333      6.417160      4.314456
  O      -2.487426      6.409371      3.393618
  C      -3.140674      5.426656      5.456576
  C      -4.572870      8.221569      3.197311
  C      -8.160001     -5.053235      4.093276
  C      -7.148256     -4.124174      4.720846
  O      -6.166995     -4.563281      5.313326
  C      -7.355540     -2.646302      4.583956
  C      -8.387929     -2.099881      3.801032
  C      -8.517327     -0.721577      3.665984
  C      -7.608550      0.107022      4.315006
  F      -7.774523      1.442440      4.164855
  C      -6.565660     -0.387360      5.114721
  C      -5.523705      0.438679      5.814932
  O      -4.812423     -0.085768      6.663603
  C      -5.326163      1.909347      5.419139
  C      -6.471995     -1.780788      5.233250
  H      -3.552682     -7.585955      3.673586
  H      -5.029056     -6.566485      3.609695
  H      -4.044237     -6.783323      2.147322
  H      -5.143083     -4.807839      1.768182
  H      -5.796623     -2.504103      1.065913
  H      -0.662967     -0.825164      4.035468
  H      -1.469231     -1.511036      5.449557
  H      -2.214824     -3.185757      4.441085
  H      -6.679843     11.770370      2.617574
  H      -7.731320     10.603902      1.799273
  H      -6.620064     11.624778      0.830933
  H      -7.386195      9.941306      4.052416
  H      -7.219160      8.424163      6.024129
  H      -3.085668      5.964252      6.414017
  H      -4.046927      4.797663      5.501910
  H      -3.826056      8.161305      2.404666
  H      -9.177699     -4.833275      4.448416
  H      -7.900110     -6.088335      4.338212
  H      -8.167284     -4.929467      2.998632
  H      -9.097302     -2.748386      3.286722
  H      -9.312125     -0.275140      3.068214
  H      -6.208747      2.472969      5.780846
  H      -5.372582      1.972323      4.322391
  H      -5.669518     -2.195269      5.844771
  N      -1.703370      2.682383      3.339651
  N      -1.694141      3.398848      2.223538
  H      -1.582903      4.856743      4.328880
  H      -2.588350      3.751556      1.874923
  H      -1.051583      3.077931      1.497403
91
Coordinates from ORCA-job orca E -6562.689639085050
  N      -1.313598      0.600210      5.502864
  Mo     -2.369412      2.206091      4.943770
  N      -4.133594      2.463631      5.896933
  C      -4.133035      2.781666      7.327764
  C      -2.881058      2.218073      7.987533
  N      -1.686192      2.649133      7.215521
  C      -0.500546      1.789654      7.444095
  C      -0.712837      0.429160      6.815473
  C      -1.352706      4.069188      7.494970
  C      -0.945970      4.767939      6.214682
  N      -2.012016      4.568753      5.211989
  H       0.265876     -0.081645      6.745516
  H      -1.351810     -0.208574      7.459374
  H       0.351055      2.288578      6.959578
  H      -0.281615      1.702000      8.523099
  H      -0.754056      5.838827      6.400848
  H      -0.026328      4.327279      5.802662
  H      -2.241465      4.556622      7.917328
  H      -0.558324      4.136228      8.255402
  H      -5.010038      2.340234      7.826210
  H      -4.201697      3.874405      7.497139
  H      -2.939024      1.123774      7.947878
  H      -2.791504      2.534661      9.042417
  C      -3.918498     -6.722597      3.230973
  C      -3.122898     -5.507780      3.630779
  O      -2.129276     -5.589282      4.343103
  C      -3.586968     -4.160893      3.148106
  C      -4.617157     -3.993300      2.209804
  C      -5.021888     -2.718493      1.820088
  C      -4.415626     -1.610298      2.392878
  F      -4.834237     -0.395016      1.996115
  C      -3.381339     -1.728089      3.351233
  C      -2.787525     -0.575080      4.020061
  O      -3.346233      0.549642      3.986526
  C      -1.500021     -0.644454      4.785148
  C      -2.977022     -3.030833      3.690769
  C      -6.589295     11.255693      1.829758
  C      -5.515644     10.199931      1.924559
  O      -4.649791     10.086198      1.065229
  C      -5.530991      9.269668      3.106144
  C      -6.521113      9.321876      4.102368
  C      -6.495074      8.432841      5.172661
  C      -5.472607      7.494832      5.243378
  F      -5.485106      6.645400      6.300050
  C      -4.455044      7.405652      4.276861
  C      -3.319097      6.439424      4.290338
  O      -2.482652      6.447456      3.390793
  C      -3.198984      5.416802      5.409598
  C      -4.517365      8.316797      3.211753
  C      -8.123399     -5.128832      4.142210
  C      -7.112789     -4.184224      4.747880
  O      -6.116436     -4.607966      5.326093
  C      -7.344795     -2.709861      4.615556
  C      -8.400514     -2.176975      3.854645
  C      -8.551544     -0.800325      3.724396
  C      -7.641029      0.039893      4.356058
  F      -7.826090      1.373298      4.210612
  C      -6.576850     -0.441195      5.134867
  C      -5.533928      0.397858      5.817632
  O      -4.811063     -0.114942      6.663577
  C      -5.363441      1.870825      5.420570
  C      -6.461382     -1.833032      5.249226
  H      -3.452193     -7.617378      3.655532
  H      -4.949644     -6.629215      3.605906
  H      -3.972456     -6.820601      2.136028
  H      -5.113394     -4.860883      1.774593
  H      -5.812111     -2.566783      1.084847
  H      -0.685802     -0.851898      4.055177
  H      -1.508756     -1.509464      5.473319
  H      -2.189865     -3.195846      4.426654
  H      -6.566764     11.915460      2.710685
  H      -7.588641     10.794754      1.797151
  H      -6.431683     11.848849      0.923235
  H      -7.322444     10.059010      4.047865
  H      -7.253922      8.453441      5.954929
  H      -3.165200      5.932642      6.380431
  H      -4.107679      4.790841      5.420470
  H      -3.745484      8.275184      2.442311
  H      -9.136221     -4.926006      4.520810
  H      -7.841561     -6.159830      4.380167
  H      -8.158171     -5.003932      3.048271
  H      -9.110912     -2.834669      3.353585
  H      -9.364446     -0.364286      3.143549
  H      -6.249848      2.420466      5.794490
  H      -5.425849      1.935324      4.324767
  H      -5.641839     -2.237868      5.844227
  N      -1.754267      2.667821      3.315084
  N      -1.772782      3.393782      2.202804
  H      -1.638998      4.844220      4.291473
  H      -2.681290      3.719700      1.864673
  H      -1.136072      3.085912      1.465635
91
Coordinates from ORCA-job orca E -6562.689682051039
  N      -1.318496      0.597766      5.507388
  Mo     -2.367489      2.206342      4.945498
  N      -4.135668      2.470604      5.894000
  C      -4.133542      2.791836      7.324730
  C      -2.886402      2.222355      7.988493
  N      -1.688013      2.647990      7.219011
  C      -0.506813      1.783366      7.451236
  C      -0.724329      0.423766      6.822690
  C      -1.349506      4.067147      7.497940
  C      -0.940056      4.763860      6.217480
  N      -2.006553      4.567315      5.214620
  H       0.251705     -0.092634      6.756941
  H      -1.369862     -0.209875      7.464030
  H       0.348346      2.277898      6.968504
  H      -0.291180      1.695254      8.530856
  H      -0.744797      5.834204      6.402827
  H      -0.021686      4.320279      5.805612
  H      -2.236867      4.558156      7.919367
  H      -0.555399      4.131411      8.258725
  H      -5.014647      2.358725      7.823412
  H      -4.194538      3.885506      7.490346
  H      -2.949518      1.128355      7.948730
  H      -2.797855      2.539203      9.043310
  C      -3.931089     -6.715307      3.213540
  C      -3.131000     -5.503339      3.612912
  O      -2.137823     -5.588434      4.325464
  C      -3.593335     -4.154533      3.134488
  C      -4.623529     -3.983179      2.196924
  C      -5.027159     -2.706813      1.811283
  C      -4.419989     -1.601053      2.387705
  F      -4.837952     -0.384322      1.994817
  C      -3.385897     -1.722614      3.345987
  C      -2.791698     -0.572480      4.018822
  O      -3.346779      0.553941      3.984219
  C      -1.507927     -0.646722      4.789618
  C      -2.982504     -3.026887      3.680923
  C      -6.604763     11.233848      1.815204
  C      -5.525040     10.184672      1.915024
  O      -4.658909     10.071700      1.055915
  C      -5.532044      9.263024      3.103512
  C      -6.518498      9.319207      4.103315
  C      -6.485632      8.437732      5.179695
  C      -5.460558      7.502756      5.252419
  F      -5.464663      6.661934      6.316038
  C      -4.447213      7.409090      4.281984
  C      -3.310734      6.443773      4.295665
  O      -2.475030      6.451780      3.395526
  C      -3.192152      5.417865      5.412962
  C      -4.516004      8.313027      3.211094
  C      -8.109220     -5.133329      4.154625
  C      -7.101347     -4.185318      4.759465
  O      -6.104768     -4.605592      5.339853
  C      -7.335939     -2.711736      4.622286
  C      -8.390387     -2.183019      3.856818
  C      -8.544181     -0.807057      3.722912
  C      -7.637520      0.036849      4.355173
  F      -7.825385      1.369377      4.205824
  C      -6.574575     -0.439890      5.138469
  C      -5.536487      0.403340      5.824057
  O      -4.809199     -0.108866      6.666658
  C      -5.365432      1.874449      5.421795
  C      -6.456267     -1.831269      5.256442
  H      -3.468063     -7.611465      3.638828
  H      -4.962499     -6.618713      3.587125
  H      -3.984338     -6.813858      2.118573
  H      -5.120902     -4.849007      1.759492
  H      -5.817485     -2.552021      1.076788
  H      -0.691534     -0.858670      4.063450
  H      -1.524083     -1.510780      5.478871
  H      -2.195291     -3.195132      4.416021
  H      -6.585280     11.899013      2.692244
  H      -7.601533     10.767201      1.786595
  H      -6.451572     11.822499      0.904999
  H      -7.322066     10.053672      4.046979
  H      -7.240781      8.462063      5.965431
  H      -3.156888      5.934374      6.383426
  H      -4.101310      4.792734      5.424985
  H      -3.747169      8.268000      2.438784
  H      -9.122669     -4.931764      4.532324
  H      -7.825511     -6.163297      4.394808
  H      -8.143910     -5.010532      3.060482
  H      -9.098001     -2.843437      3.355320
  H      -9.356577     -0.374436      3.138795
  H      -6.251011      2.424281      5.797254
  H      -5.431499      1.937234      4.326002
  H      -5.637721     -2.233138      5.854832
  N      -1.743760      2.666580      3.319048
  N      -1.759869      3.398180      2.210528
  H      -1.633251      4.844246      4.293451
  H      -2.668432      3.719587      1.868310
  H      -1.118106      3.096411      1.475189
91
Coordinates from ORCA-job orca E -6562.689703355139
  N      -1.312694      0.595111      5.513342
  Mo     -2.352850      2.208879      4.949576
  N      -4.121704      2.478135      5.896788
  C      -4.120607      2.796606      7.328364
  C      -2.876572      2.221922      7.993088
  N      -1.675843      2.645741      7.226410
  C      -0.497615      1.777002      7.458617
  C      -0.719591      0.418629      6.828922
  C      -1.334438      4.063392      7.508074
  C      -0.921078      4.761516      6.229569
  N      -1.987082      4.570169      5.225249
  H       0.254630     -0.101206      6.763239
  H      -1.367674     -0.213099      7.469495
  H       0.359733      2.268934      6.977188
  H      -0.283122      1.686805      8.538339
  H      -0.723104      5.830773      6.417811
  H      -0.003418      4.316396      5.817648
  H      -2.221482      4.555973      7.928652
  H      -0.541487      4.124340      8.270319
  H      -5.004109      2.365914      7.824793
  H      -4.177394      3.890345      7.496551
  H      -2.942785      1.128211      7.951202
  H      -2.789073      2.536500      9.048631
  C      -3.961326     -6.702640      3.213399
  C      -3.153697     -5.496058      3.613560
  O      -2.164478     -5.587050      4.330943
  C      -3.606064     -4.144725      3.133103
  C      -4.631925     -3.967671      2.191864
  C      -5.027035     -2.689093      1.804836
  C      -4.415863     -1.586743      2.383608
  F      -4.826040     -0.367769      1.989598
  C      -3.385864     -1.714167      3.345550
  C      -2.787346     -0.567731      4.020289
  O      -3.335483      0.561850      3.982953
  C      -1.507391     -0.649268      4.796455
  C      -2.990887     -3.020634      3.681749
  C      -6.658107     11.171045      1.793332
  C      -5.569613     10.131255      1.897299
  O      -4.711081     10.012909      1.031379
  C      -5.557551      9.225864      3.098316
  C      -6.535242      9.286542      4.106649
  C      -6.484322      8.420091      5.194503
  C      -5.450015      7.495664      5.270133
  F      -5.435749      6.669862      6.345293
  C      -4.445431      7.397483      4.291016
  C      -3.302456      6.440024      4.305013
  O      -2.474502      6.443964      3.397773
  C      -3.171853      5.421286      5.427637
  C      -4.532517      8.285940      3.208612
  C      -8.115826     -5.109749      4.138329
  C      -7.109279     -4.166189      4.752268
  O      -6.117661     -4.590820      5.337993
  C      -7.336686     -2.691562      4.613077
  C      -8.383423     -2.159188      3.839687
  C      -8.531162     -0.782775      3.704114
  C      -7.626011      0.058096      4.342447
  F      -7.808842      1.391103      4.191425
  C      -6.569888     -0.422150      5.133134
  C      -5.533126      0.417758      5.825254
  O      -4.806877     -0.098901      6.666056
  C      -5.353002      1.887478      5.421941
  C      -6.457854     -1.814033      5.252780
  H      -3.506318     -7.601549      3.641561
  H      -4.993326     -6.597810      3.583415
  H      -4.011531     -6.802362      2.118383
  H      -5.132831     -4.830740      1.753017
  H      -5.813977     -2.529821      1.067653
  H      -0.689375     -0.867164      4.073903
  H      -1.531840     -1.512379      5.486725
  H      -2.207382     -3.193446      4.419753
  H      -6.634392     11.850401      2.659376
  H      -7.651312     10.696083      1.783357
  H      -6.519586     11.746418      0.872367
  H      -7.346214     10.012594      4.047963
  H      -7.232213      8.448282      5.987028
  H      -3.130859      5.943146      6.394707
  H      -4.079855      4.794399      5.449054
  H      -3.770511      8.237187      2.429749
  H      -9.131323     -4.904677      4.508635
  H      -7.837899     -6.141087      4.379344
  H      -8.141825     -4.985485      3.044114
  H      -9.090048     -2.817122      3.333525
  H      -9.337866     -0.347489      3.114105
  H      -6.236764      2.441815      5.795086
  H      -5.416309      1.949938      4.325915
  H      -5.644965     -2.218701      5.857020
  N      -1.721721      2.670061      3.326694
  N      -1.726953      3.399530      2.217467
  H      -1.613479      4.848105      4.302964
  H      -2.631093      3.725973      1.868381
  H      -1.080299      3.094871      1.487612
91
Coordinates from ORCA-job orca E -6562.690013246834
  N      -1.294424      0.590060      5.526465
  Mo     -2.313469      2.216848      4.957897
  N      -4.080547      2.493841      5.907923
  C      -4.083366      2.801006      7.342646
  C      -2.844236      2.215863      8.007195
  N      -1.639747      2.640670      7.247703
  C      -0.466012      1.764494      7.474699
  C      -0.696038      0.409263      6.839842
  C      -1.295225      4.054724      7.539625
  C      -0.872090      4.760707      6.268199
  N      -1.934911      4.584567      5.257903
  H       0.275759     -0.114548      6.769107
  H      -1.344288     -0.221963      7.480606
  H       0.394071      2.253723      6.995578
  H      -0.251022      1.667166      8.553867
  H      -0.668908      5.826858      6.467516
  H       0.044959      4.314165      5.856246
  H      -2.183129      4.548100      7.958184
  H      -0.506139      4.108166      8.306524
  H      -4.970492      2.370198      7.832178
  H      -4.134828      3.893935      7.521432
  H      -2.914644      1.122766      7.957486
  H      -2.759939      2.522242      9.065359
  C      -4.037530     -6.671318      3.222559
  C      -3.212104     -5.478280      3.626109
  O      -2.235348     -5.583173      4.358649
  C      -3.636544     -4.121513      3.136266
  C      -4.649150     -3.931109      2.183337
  C      -5.020628     -2.647699      1.789399
  C      -4.399300     -1.553372      2.372708
  F      -4.787890     -0.329283      1.972847
  C      -3.381700     -1.694573      3.345785
  C      -2.772007     -0.556518      4.023696
  O      -3.302034      0.581207      3.977445
  C      -1.502173     -0.655452      4.813952
  C      -3.010227     -3.005896      3.689078
  C      -6.798554     11.001703      1.741231
  C      -5.693732      9.979564      1.850478
  O      -4.856915      9.843791      0.966199
  C      -5.630758      9.120451      3.083774
  C      -6.582120      9.198109      4.116313
  C      -6.482982      8.374200      5.233574
  C      -5.426574      7.475824      5.314646
  F      -5.363636      6.692665      6.419369
  C      -4.447727      7.361248      4.311300
  C      -3.288402      6.424127      4.325750
  O      -2.485522      6.410165      3.396385
  C      -3.118741      5.435233      5.469372
  C      -4.583835      8.205748      3.199364
  C      -8.145720     -5.038286      4.083849
  C      -7.141182     -4.110078      4.723950
  O      -6.165780     -4.549709      5.325672
  C      -7.345287     -2.632074      4.581729
  C      -8.369794     -2.086272      3.788327
  C      -8.497753     -0.708243      3.650542
  C      -7.594749      0.121227      4.306244
  F      -7.760207      1.456199      4.152735
  C      -6.558424     -0.372144      5.115631
  C      -5.523395      0.455317      5.825834
  O      -4.802957     -0.075013      6.663195
  C      -5.317172      1.922143      5.423410
  C      -6.466671     -1.765654      5.237374
  H      -3.603287     -7.576857      3.658318
  H      -5.070799     -6.545422      3.583103
  H      -4.079360     -6.773924      2.127481
  H      -5.159102     -4.787495      1.741862
  H      -5.797435     -2.478068      1.043784
  H      -0.680086     -0.890523      4.101458
  H      -1.547989     -1.514569      5.508376
  H      -2.238236     -3.189224      4.436618
  H      -6.756338     11.717023      2.577220
  H      -7.784345     10.513343      1.784126
  H      -6.698391     11.540546      0.793617
  H      -7.410650      9.903621      4.053450
  H      -7.209679      8.416260      6.044976
  H      -3.059823      5.978285      6.423192
  H      -4.022147      4.802840      5.523154
  H      -3.842106      8.143567      2.402023
  H      -9.166248     -4.821266      4.433009
  H      -7.886465     -6.074078      4.326448
  H      -8.146289     -4.909411      2.989869
  H      -9.075229     -2.735034      3.268817
  H      -9.287746     -0.262893      3.045602
  H      -6.195321      2.489586      5.789990
  H      -5.371145      1.985277      4.326804
  H      -5.670146     -2.180446      5.856491
  N      -1.669242      2.683479      3.343308
  N      -1.644608      3.393727      2.224716
  H      -1.559954      4.866914      4.333608
  H      -2.533461      3.745912      1.862127
  H      -0.993386      3.067975      1.508307
91
Coordinates from ORCA-job orca E -6562.690118531559
  N      -1.305607      0.593006      5.515018
  Mo     -2.340390      2.213161      4.948174
  N      -4.111205      2.478273      5.900642
  C      -4.111512      2.789180      7.336507
  C      -2.864323      2.215670      7.998350
  N      -1.663761      2.646655      7.232461
  C      -0.482341      1.779065      7.460876
  C      -0.703642      0.419170      6.829731
  C      -1.326468      4.065511      7.518123
  C      -0.910019      4.769472      6.241711
  N      -1.973450      4.581783      5.232413
  H       0.271869     -0.097640      6.758545
  H      -1.346334     -0.214810      7.473523
  H       0.373234      2.272948      6.978355
  H      -0.265306      1.687855      8.540064
  H      -0.713535      5.838099      6.434837
  H       0.009246      4.326490      5.830998
  H      -2.215945      4.555185      7.937114
  H      -0.535756      4.125856      8.282822
  H      -4.993266      2.352028      7.830275
  H      -4.172150      3.881875      7.511624
  H      -2.927035      1.121937      7.951695
  H      -2.777391      2.525777      9.055246
  C      -3.993103     -6.696982      3.222431
  C      -3.177127     -5.495453      3.620309
  O      -2.190096     -5.591453      4.340107
  C      -3.619707     -4.142320      3.136062
  C      -4.642988     -3.960767      2.192810
  C      -5.030015     -2.680582      1.803049
  C      -4.413239     -1.580848      2.380948
  F      -4.816831     -0.360039      1.985611
  C      -3.385323     -1.712988      3.344488
  C      -2.781198     -0.569192      4.018114
  O      -3.322292      0.565519      3.974576
  C      -1.505047     -0.656194      4.802364
  C      -2.998658     -3.021093      3.683672
  C      -6.694741     11.138227      1.782709
  C      -5.604835     10.099727      1.885163
  O      -4.749679      9.980108      1.016084
  C      -5.579730      9.205002      3.094003
  C      -6.550897      9.268665      4.108534
  C      -6.487403      8.412197      5.203605
  C      -5.446733      7.495083      5.280444
  F      -5.419725      6.679297      6.362920
  C      -4.448427      7.394140      4.295163
  C      -3.300654      6.442370      4.308913
  O      -2.479483      6.442200      3.395468
  C      -3.159254      5.431398      5.436907
  C      -4.548437      8.272086      3.205374
  C      -8.124171     -5.097487      4.123881
  C      -7.119288     -4.158056      4.746796
  O      -6.133950     -4.586860      5.340091
  C      -7.338724     -2.682465      4.603933
  C      -8.377351     -2.146973      3.821854
  C      -8.518330     -0.770228      3.682917
  C      -7.614551      0.067904      4.326686
  F      -7.791004      1.401173      4.171880
  C      -6.565809     -0.415216      5.125444
  C      -5.529837      0.421730      5.822849
  O      -4.803718     -0.099206      6.661119
  C      -5.344578      1.891631      5.421662
  C      -6.460499     -1.807470      5.248167
  H      -3.544747     -7.598258      3.652652
  H      -5.024353     -6.583453      3.592317
  H      -4.043955     -6.798623      2.127622
  H      -5.148655     -4.821647      1.755145
  H      -5.815202     -2.517928      1.064725
  H      -0.684115     -0.884396      4.086286
  H      -1.540239     -1.515248      5.497458
  H      -2.217595     -3.197295      4.423461
  H      -6.663758     11.825198      2.642528
  H      -7.687455     10.662134      1.786091
  H      -6.565160     11.705946      0.855722
  H      -7.366880      9.989012      4.048868
  H      -7.230160      8.442741      6.000854
  H      -3.115970      5.957118      6.401582
  H      -4.065549      4.801962      5.463847
  H      -3.791312      8.221043      2.421901
  H      -9.141984     -4.888206      4.485439
  H      -7.852636     -6.129989      4.367137
  H      -8.140247     -4.973028      3.029503
  H      -9.083061     -2.802744      3.311628
  H      -9.318713     -0.332607      3.086072
  H      -6.228145      2.447835      5.792633
  H      -5.404334      1.955338      4.325433
  H      -5.653506     -2.214414      5.858787
  N      -1.701351      2.678350      3.328899
  N      -1.688985      3.405865      2.217603
  H      -1.601749      4.852307      4.309652
  H      -2.586363      3.738492      1.857115
  H      -1.034203      3.096622      1.496946
91
Coordinates from ORCA-job orca E -6562.689821212725
  N      -1.353578      0.594720      5.495299
  Mo     -2.413277      2.199852      4.921285
  N      -4.189959      2.456149      5.873526
  C      -4.182547      2.793045      7.306645
  C      -2.927153      2.238094      7.972711
  N      -1.729498      2.665212      7.195180
  C      -0.541026      1.806977      7.433399
  C      -0.753007      0.437461      6.815598
  C      -1.396094      4.091949      7.459219
  C      -0.996271      4.782472      6.167912
  N      -2.066029      4.569060      5.167659
  H       0.225937     -0.073540      6.751155
  H      -1.393079     -0.193505      7.465021
  H       0.310734      2.301255      6.944342
  H      -0.323554      1.730705      8.513425
  H      -0.808960      5.856222      6.341311
  H      -0.075946      4.341288      5.757874
  H      -2.283053      4.581487      7.882506
  H      -0.597315      4.165362      8.214205
  H      -5.059288      2.360688      7.813612
  H      -4.248981      3.887842      7.458194
  H      -2.983588      1.143479      7.941056
  H      -2.837144      2.564254      9.024568
  C      -3.882636     -6.758445      3.196059
  C      -3.097938     -5.535778      3.593910
  O      -2.095271     -5.609421      4.294255
  C      -3.582959     -4.191986      3.123701
  C      -4.623030     -4.032096      2.194931
  C      -5.046549     -2.760072      1.815584
  C      -4.448909     -1.647656      2.389247
  F      -4.886704     -0.435727      2.002894
  C      -3.405275     -1.757696      3.338885
  C      -2.820343     -0.601348      4.008656
  O      -3.384301      0.525066      3.966192
  C      -1.538059     -0.663851      4.789415
  C      -2.982678     -3.057548      3.667778
  C      -6.436186     11.445544      1.892036
  C      -5.379035     10.373067      1.983517
  O      -4.480141     10.285887      1.155433
  C      -5.446225      9.400360      3.128400
  C      -6.463273      9.437424      4.097615
  C      -6.485309      8.510389      5.135270
  C      -5.484425      7.548727      5.199688
  F      -5.542779      6.662794      6.224456
  C      -4.442466      7.472052      4.258877
  C      -3.327614      6.481323      4.267152
  O      -2.468707      6.502921      3.389180
  C      -3.251368      5.423281      5.358353
  C      -4.455540      8.422836      3.226862
  C      -8.028480     -5.240543      4.225894
  C      -7.034750     -4.266625      4.812797
  O      -6.025247     -4.661193      5.388834
  C      -7.302467     -2.799410      4.668970
  C      -8.376636     -2.297164      3.913133
  C      -8.559336     -0.925286      3.771990
  C      -7.661652     -0.059534      4.387699
  F      -7.875295      1.267836      4.231273
  C      -6.581111     -0.509681      5.161448
  C      -5.550478      0.357958      5.827683
  O      -4.812666     -0.131995      6.674153
  C      -5.414605      1.830008      5.416061
  C      -6.433700     -1.897334      5.287285
  H      -3.403703     -7.648589      3.616302
  H      -4.913593     -6.679343      3.574563
  H      -3.940344     -6.855409      2.101090
  H      -5.112043     -4.903449      1.758982
  H      -5.844881     -2.614183      1.088007
  H      -0.715370     -0.888115      4.074490
  H      -1.562549     -1.517631      5.491664
  H      -2.186528     -3.216561      4.395355
  H      -6.437522     12.069445      2.799055
  H      -7.439766     11.001159      1.805234
  H      -6.238088     12.071968      1.016341
  H      -7.247543     10.193045      4.047768
  H      -7.264937      8.519147      5.897070
  H      -3.238430      5.913105      6.343227
  H      -4.164863      4.805163      5.332070
  H      -3.663145      8.392678      2.478065
  H      -9.041525     -5.059536      4.615107
  H      -7.719150     -6.262508      4.468694
  H      -8.079917     -5.125097      3.131632
  H      -9.076508     -2.975004      3.424194
  H      -9.386952     -0.512908      3.194673
  H      -6.308426      2.363107      5.796501
  H      -5.491547      1.886276      4.320712
  H      -5.600513     -2.279253      5.878394
  N      -1.791804      2.656098      3.288057
  N      -1.835436      3.415833      2.193115
  H      -1.700075      4.825410      4.247314
  H      -2.758648      3.701346      1.857298
  H      -1.192277      3.141451      1.447866
91
Coordinates from ORCA-job orca E -6562.689163820130
  N      -1.399530      0.597220      5.473228
  Mo     -2.482251      2.186236      4.887299
  N      -4.264856      2.435336      5.837920
  C      -4.251638      2.799598      7.267025
  C      -2.988398      2.265060      7.938578
  N      -1.793926      2.688233      7.149704
  C      -0.597646      1.841460      7.399238
  C      -0.799204      0.460947      6.798585
  C      -1.466942      4.123004      7.390206
  C      -1.082658      4.797964      6.084091
  N      -2.156858      4.556646      5.092247
  H       0.183554     -0.043369      6.741437
  H      -1.435599     -0.165927      7.455581
  H       0.249623      2.335651      6.902170
  H      -0.379373      1.782847      8.479981
  H      -0.905649      5.876673      6.236546
  H      -0.160367      4.358873      5.676492
  H      -2.352512      4.612101      7.815829
  H      -0.661361      4.211623      8.136138
  H      -5.123482      2.372085      7.786557
  H      -4.324908      3.896098      7.394324
  H      -3.037500      1.169761      7.923354
  H      -2.896506      2.608690      8.984727
  C      -3.777238     -6.818866      3.192556
  C      -3.021598     -5.576078      3.585489
  O      -2.006074     -5.625529      4.268993
  C      -3.545486     -4.243900      3.123223
  C      -4.599541     -4.108146      2.206355
  C      -5.056776     -2.846110      1.832094
  C      -4.478441     -1.720013      2.398804
  F      -4.948109     -0.518655      2.016689
  C      -3.421921     -1.805551      3.336879
  C      -2.856169     -0.635541      4.000037
  O      -3.440360      0.482667      3.953054
  C      -1.570853     -0.673319      4.780762
  C      -2.965971     -3.095521      3.660915
  C      -6.184467     11.730810      2.034802
  C      -5.157770     10.628338      2.112303
  O      -4.210906     10.576865      1.336114
  C      -5.316705      9.581389      3.179623
  C      -6.382340      9.588575      4.095242
  C      -6.489148      8.594467      5.063109
  C      -5.524524      7.595224      5.111063
  F      -5.667413      6.642840      6.065796
  C      -4.436368      7.546006      4.222538
  C      -3.351806      6.521661      4.222081
  O      -2.453214      6.567668      3.385703
  C      -3.342596      5.414127      5.266589
  C      -4.363435      8.565678      3.260904
  C      -7.941044     -5.368371      4.320120
  C      -6.959331     -4.363100      4.873478
  O      -5.930068     -4.725509      5.435350
  C      -7.269830     -2.904880      4.726637
  C      -8.374075     -2.434727      3.993714
  C      -8.594006     -1.068551      3.848492
  C      -7.703347     -0.177006      4.437480
  F      -7.950254      1.143924      4.277435
  C      -6.595893     -0.595358      5.189391
  C      -5.571908      0.301099      5.826220
  O      -4.823672     -0.158937      6.680148
  C      -5.480175      1.772645      5.401822
  C      -6.410917     -1.977617      5.320182
  H      -3.270929     -7.696276      3.607370
  H      -4.806935     -6.769344      3.578477
  H      -3.841132     -6.916386      2.097924
  H      -5.072092     -4.990527      1.774384
  H      -5.866085     -2.719007      1.113239
  H      -0.744965     -0.900449      4.070871
  H      -1.589918     -1.517710      5.494787
  H      -2.157137     -3.235268      4.378457
  H      -6.228563     12.286226      2.984165
  H      -7.190656     11.322188      1.853775
  H      -5.917507     12.413731      1.221837
  H      -7.137760     10.373879      4.058471
  H      -7.307730      8.578965      5.782774
  H      -3.367313      5.862128      6.271385
  H      -4.259964      4.808306      5.179298
  H      -3.533663      8.558856      2.553232
  H      -8.948594     -5.211409      4.733330
  H      -7.598435     -6.379491      4.563790
  H      -8.023289     -5.264055      3.226648
  H      -9.067583     -3.133082      3.525059
  H      -9.444778     -0.680560      3.288222
  H      -6.382507      2.285843      5.789690
  H      -5.572425      1.818938      4.307383
  H      -5.555573     -2.335401      5.894331
  N      -1.878240      2.631653      3.240528
  N      -1.973427      3.420823      2.163344
  H      -1.795327      4.798166      4.173479
  H      -2.917783      3.656087      1.846805
  H      -1.340853      3.178926      1.397617
91
Coordinates from ORCA-job orca E -6562.688053706814
  N      -1.453013      0.595947      5.467194
  Mo     -2.540801      2.178705      4.867075
  N      -4.332325      2.439800      5.807794
  C      -4.314232      2.833480      7.232442
  C      -3.055675      2.302562      7.917366
  N      -1.853366      2.705548      7.125760
  C      -0.664338      1.851908      7.393257
  C      -0.871686      0.466635      6.803801
  C      -1.511866      4.142310      7.343729
  C      -1.135052      4.797800      6.023688
  N      -2.217714      4.544426      5.042023
  H       0.106743     -0.047150      6.762939
  H      -1.522803     -0.146656      7.458895
  H       0.190218      2.334499      6.897248
  H      -0.455644      1.803306      8.476192
  H      -0.955524      5.878575      6.156697
  H      -0.216814      4.349553      5.616903
  H      -2.388413      4.643264      7.773687
  H      -0.697072      4.232773      8.079119
  H      -5.191499      2.427587      7.760084
  H      -4.375132      3.932551      7.332960
  H      -3.111893      1.207526      7.918008
  H      -2.964770      2.662315      8.958146
  C      -3.687237     -6.854896      3.140018
  C      -2.961499     -5.596829      3.542023
  O      -1.933946     -5.628839      4.208363
  C      -3.522031     -4.272889      3.099095
  C      -4.588919     -4.153420      2.194949
  C      -5.076957     -2.898386      1.834961
  C      -4.515853     -1.764158      2.402866
  F      -5.013941     -0.570763      2.032814
  C      -3.447481     -1.833269      3.329219
  C      -2.898277     -0.656721      3.993556
  O      -3.497407      0.454881      3.947043
  C      -1.612389     -0.679133      4.776598
  C      -2.961545     -3.115992      3.638950
  C      -6.001758     11.900116      2.117419
  C      -4.998441     10.776192      2.191224
  O      -4.022773     10.736809      1.450677
  C      -5.216760      9.692833      3.210419
  C      -6.305699      9.696247      4.098088
  C      -6.466761      8.668610      5.022463
  C      -5.533509      7.639178      5.054123
  F      -5.730972      6.652436      5.962939
  C      -4.423876      7.592317      4.193211
  C      -3.367301      6.539081      4.183818
  O      -2.449739      6.587056      3.368147
  C      -3.395696      5.415041      5.211745
  C      -4.294905      8.647197      3.276029
  C      -7.841047     -5.463110      4.406772
  C      -6.873853     -4.426575      4.927325
  O      -5.824662     -4.755985      5.472386
  C      -7.228591     -2.978543      4.780874
  C      -8.361795     -2.541145      4.072280
  C      -8.620347     -1.181499      3.926097
  C      -7.738791     -0.264508      4.490014
  F      -8.020486      1.048943      4.328356
  C      -6.605238     -0.650673      5.219196
  C      -5.587658      0.272818      5.827313
  O      -4.833861     -0.157924      6.691416
  C      -5.538226      1.743100      5.393892
  C      -6.381710     -2.026634      5.351718
  H      -3.157037     -7.722691      3.545105
  H      -4.717500     -6.837887      3.526409
  H      -3.750359     -6.944116      2.044484
  H      -5.045855     -5.042595      1.759996
  H      -5.896318     -2.783537      1.125524
  H      -0.782084     -0.901305      4.071051
  H      -1.627917     -1.520927      5.493716
  H      -2.140676     -3.242789      4.345233
  H      -6.072519     12.417192      3.086423
  H      -7.008100     11.521194      1.880419
  H      -5.689618     12.609510      1.344131
  H      -7.036284     10.505312      4.073914
  H      -7.304228      8.649295      5.719999
  H      -3.426894      5.853752      6.220597
  H      -4.319488      4.823037      5.108562
  H      -3.447332      8.643605      2.589722
  H      -8.841604     -5.331262      4.845146
  H      -7.464206     -6.462406      4.648789
  H      -7.955265     -5.369749      3.315120
  H      -9.046880     -3.259862      3.622389
  H      -9.493612     -0.818461      3.384043
  H      -6.446466      2.235818      5.793796
  H      -5.648219      1.783794      4.300891
  H      -5.505010     -2.360392      5.907659
  N      -1.935780      2.605969      3.210256
  N      -2.075234      3.428748      2.157220
  H      -1.857288      4.772309      4.127677
  H      -3.034785      3.625261      1.858549
  H      -1.451739      3.220214      1.373886
91
Coordinates from ORCA-job orca E -6562.686883378144
  N      -1.474162      0.596436      5.454822
  Mo     -2.555123      2.178448      4.833961
  N      -4.354903      2.445423      5.760331
  C      -4.341682      2.853471      7.183135
  C      -3.089374      2.326036      7.880763
  N      -1.878827      2.720216      7.095448
  C      -0.695406      1.863463      7.378102
  C      -0.904582      0.476175      6.797315
  C      -1.530877      4.156409      7.302311
  C      -1.156732      4.802159      5.976130
  N      -2.243179      4.539871      5.000440
  H       0.071519     -0.042187      6.766063
  H      -1.563588     -0.127741      7.452541
  H       0.165806      2.338561      6.886840
  H      -0.497534      1.820494      8.463213
  H      -0.980127      5.884147      6.099269
  H      -0.239326      4.350986      5.570421
  H      -2.403912      4.661727      7.734675
  H      -0.711901      4.247460      8.032674
  H      -5.224550      2.458571      7.709228
  H      -4.394159      3.953754      7.270646
  H      -3.147571      1.231130      7.889077
  H      -3.005781      2.694085      8.919081
  C      -3.729781     -6.866304      3.230239
  C      -2.982691     -5.609736      3.595979
  O      -1.956567     -5.639882      4.264932
  C      -3.521947     -4.290417      3.115517
  C      -4.574115     -4.181126      2.193280
  C      -5.050395     -2.929371      1.805797
  C      -4.494292     -1.788846      2.366246
  F      -4.984753     -0.600219      1.973742
  C      -3.439525     -1.847778      3.309029
  C      -2.902329     -0.667395      3.972166
  O      -3.503835      0.440616      3.910993
  C      -1.629359     -0.684119      4.775372
  C      -2.962221     -3.127630      3.642672
  C      -5.922328     12.001787      2.217622
  C      -4.936640     10.861175      2.275612
  O      -3.944752     10.834489      1.556504
  C      -5.184328      9.749971      3.257807
  C      -6.282691      9.740414      4.134666
  C      -6.466790      8.686796      5.025114
  C      -5.547034      7.644950      5.033874
  F      -5.768049      6.630282      5.904943
  C      -4.430193      7.609353      4.182879
  C      -3.389338      6.541343      4.153620
  O      -2.475043      6.586955      3.333779
  C      -3.419039      5.413929      5.179937
  C      -4.277160      8.690043      3.299702
  C      -7.776772     -5.515421      4.440012
  C      -6.816198     -4.462107      4.939305
  O      -5.754469     -4.774188      5.470349
  C      -7.193265     -3.019603      4.789580
  C      -8.341703     -2.602633      4.093563
  C      -8.619886     -1.247364      3.939786
  C      -7.742070     -0.314721      4.484349
  F      -8.042505      0.993178      4.314380
  C      -6.594168     -0.680321      5.202382
  C      -5.577123      0.259102      5.789275
  O      -4.820675     -0.153566      6.659597
  C      -5.551006      1.728502      5.351186
  C      -6.351492     -2.052353      5.342639
  H      -3.215968     -7.730688      3.662907
  H      -4.761476     -6.820442      3.611121
  H      -3.790590     -6.987214      2.137443
  H      -5.029282     -5.075315      1.766703
  H      -5.859433     -2.822188      1.083413
  H      -0.787428     -0.916219      4.088239
  H      -1.662083     -1.518010      5.501121
  H      -2.154684     -3.246372      4.365625
  H      -6.002363     12.490656      3.200215
  H      -6.930214     11.646591      1.950981
  H      -5.585352     12.729357      1.472132
  H      -7.002354     10.559601      4.128644
  H      -7.312122      8.656423      5.712741
  H      -3.448084      5.850708      6.188506
  H      -4.343649      4.823959      5.078985
  H      -3.422952      8.696144      2.621433
  H      -8.771757     -5.395063      4.894323
  H      -7.382159     -6.507946      4.681498
  H      -7.911259     -5.430391      3.349808
  H      -9.022361     -3.334155      3.657760
  H      -9.505011     -0.900218      3.406696
  H      -6.464373      2.207764      5.753841
  H      -5.664338      1.767731      4.258231
  H      -5.463528     -2.371429      5.889147
  N      -1.937625      2.592935      3.174363
  N      -2.108403      3.439280      2.141403
  H      -1.873607      4.773176      4.100305
  H      -3.077441      3.608521      1.853800
  H      -1.490507      3.251185      1.347814
91
Coordinates from ORCA-job orca E -6562.685520602802
  N      -1.498897      0.597542      5.442983
  Mo     -2.580178      2.177509      4.814804
  N      -4.381444      2.451748      5.736605
  C      -4.366522      2.869209      7.158200
  C      -3.116140      2.343215      7.860550
  N      -1.901963      2.729856      7.075720
  C      -0.722243      1.869697      7.364712
  C      -0.935045      0.481284      6.788711
  C      -1.547607      4.165477      7.273812
  C      -1.176341      4.802485      5.942122
  N      -2.267693      4.536048      4.972229
  H       0.038957     -0.040918      6.761824
  H      -1.598840     -0.116528      7.444280
  H       0.142341      2.339367      6.874347
  H      -0.528294      1.829857      8.450592
  H      -0.998853      5.885057      6.057067
  H      -0.261280      4.346683      5.536200
  H      -2.416961      4.675491      7.708104
  H      -0.724823      4.256825      7.999715
  H      -5.251454      2.481832      7.686166
  H      -4.413171      3.969988      7.236606
  H      -3.177105      1.248530      7.874573
  H      -3.034137      2.717031      8.896898
  C      -3.714198     -6.880181      3.244309
  C      -2.970655     -5.617229      3.595434
  O      -1.932070     -5.638733      4.245332
  C      -3.526585     -4.303118      3.119853
  C      -4.591366     -4.203991      2.211192
  C      -5.083637     -2.956404      1.829190
  C      -4.529878     -1.810526      2.381220
  F      -5.038874     -0.627023      1.997866
  C      -3.461181     -1.859374      3.308923
  C      -2.926485     -0.675181      3.965275
  O      -3.533100      0.429428      3.901515
  C      -1.652305     -0.685100      4.767196
  C      -2.969668     -3.134994      3.638002
  C      -5.839576     12.083340      2.288866
  C      -4.870482     10.927969      2.335893
  O      -3.869614     10.902900      1.629317
  C      -5.145711      9.798565      3.289717
  C      -6.253426      9.784477      4.154945
  C      -6.460746      8.714014      5.019987
  C      -5.554500      7.660327      5.015444
  F      -5.799756      6.627690      5.858013
  C      -4.429721      7.628262      4.175432
  C      -3.402504      6.547773      4.135289
  O      -2.486996      6.591117      3.316470
  C      -3.439258      5.416498      5.158412
  C      -4.253140      8.725658      3.317326
  C      -7.719632     -5.559882      4.500171
  C      -6.777303     -4.489955      4.999393
  O      -5.728251     -4.784131      5.564784
  C      -7.157866     -3.053113      4.808087
  C      -8.290892     -2.657999      4.075119
  C      -8.572150     -1.307821      3.884621
  C      -7.713098     -0.358765      4.431284
  F      -8.012459      0.943237      4.220915
  C      -6.582338     -0.702175      5.186625
  C      -5.583623      0.254533      5.777809
  O      -4.840712     -0.139876      6.667846
  C      -5.572034      1.721992      5.332639
  C      -6.335199     -2.069418      5.361123
  H      -3.186145     -7.739912      3.669096
  H      -4.739887     -6.842626      3.642020
  H      -3.792239     -7.003004      2.152732
  H      -5.044013     -5.102505      1.790967
  H      -5.903694     -2.856880      1.118197
  H      -0.809158     -0.917423      4.082456
  H      -1.684800     -1.516461      5.495768
  H      -2.151742     -3.245715      4.350528
  H      -5.926286     12.551326      3.280855
  H      -6.848816     11.749513      1.999859
  H      -5.481432     12.822252      1.564692
  H      -6.962145     10.613237      4.159786
  H      -7.314117      8.679342      5.697451
  H      -3.464178      5.851996      6.167173
  H      -4.367023      4.831716      5.059850
  H      -3.392016      8.735287      2.647761
  H      -8.726393     -5.434430      4.926400
  H      -7.326667     -6.544458      4.774662
  H      -7.827286     -5.500952      3.405179
  H      -8.956153     -3.402934      3.638216
  H      -9.444845     -0.977430      3.321261
  H      -6.488901      2.194666      5.734041
  H      -5.685525      1.756446      4.239478
  H      -5.459629     -2.372121      5.936161
  N      -1.967329      2.578948      3.146977
  N      -2.175049      3.435439      2.127621
  H      -1.895394      4.772653      4.084388
  H      -3.154177      3.594102      1.867663
  H      -1.579176      3.255108      1.315223
91
Coordinates from ORCA-job orca E -6562.679679809989
  N      -1.474754      0.599778      5.414340
  Mo     -2.564370      2.169524      4.764197
  N      -4.372522      2.453814      5.673741
  C      -4.358334      2.883510      7.094581
  C      -3.108895      2.367315      7.805572
  N      -1.889287      2.749569      7.022930
  C      -0.711244      1.892031      7.327971
  C      -0.922949      0.498906      6.766813
  C      -1.531587      4.186214      7.201471
  C      -1.174660      4.806123      5.856381
  N      -2.280302      4.522040      4.905589
  H       0.049667     -0.025595      6.749892
  H      -1.593167     -0.087728      7.424981
  H       0.157738      2.354775      6.839321
  H      -0.527046      1.863024      8.415771
  H      -1.005086      5.891336      5.953207
  H      -0.262864      4.347210      5.446652
  H      -2.395501      4.700083      7.641806
  H      -0.699579      4.284204      7.915611
  H      -5.246707      2.505590      7.623109
  H      -4.396853      3.984295      7.158854
  H      -3.166749      1.272738      7.829691
  H      -3.033366      2.752157      8.838341
  C      -3.689280     -6.920523      3.461053
  C      -2.921042     -5.651137      3.726802
  O      -1.864013     -5.654485      4.346832
  C      -3.473691     -4.354440      3.201622
  C      -4.538897     -4.286794      2.291033
  C      -5.032720     -3.051739      1.869096
  C      -4.481442     -1.887416      2.384836
  F      -4.992716     -0.718389      1.964363
  C      -3.412238     -1.904261      3.313312
  C      -2.891490     -0.703346      3.946702
  O      -3.513783      0.391433      3.867798
  C      -1.619673     -0.689976      4.752325
  C      -2.918501     -3.168849      3.680954
  C      -5.818839     12.156115      2.450698
  C      -4.859521     10.991706      2.471073
  O      -3.858911     10.975886      1.763763
  C      -5.152942      9.830428      3.380247
  C      -6.262838      9.794559      4.242321
  C      -6.481346      8.695047      5.067641
  C      -5.583504      7.634772      5.026958
  F      -5.842416      6.571038      5.824495
  C      -4.458444      7.622760      4.188017
  C      -3.441004      6.535801      4.112080
  O      -2.549852      6.577817      3.266126
  C      -3.452506      5.398610      5.131661
  C      -4.270609      8.748333      3.369063
  C      -7.803562     -5.535297      4.475689
  C      -6.850201     -4.473277      4.972024
  O      -5.818008     -4.775920      5.563170
  C      -7.197453     -3.033480      4.744745
  C      -8.313318     -2.630145      3.990342
  C      -8.572117     -1.277707      3.781425
  C      -7.706609     -0.336185      4.332297
  F      -7.982229      0.967628      4.104406
  C      -6.590651     -0.688630      5.105425
  C      -5.584219      0.258239      5.700094
  O      -4.863313     -0.138549      6.606459
  C      -5.563610      1.727744      5.263364
  C      -6.365334     -2.056887      5.295775
  H      -3.156303     -7.765454      3.908902
  H      -4.701147     -6.853280      3.888144
  H      -3.803266     -7.093710      2.379265
  H      -4.988885     -5.199157      1.898582
  H      -5.851426     -2.976219      1.153516
  H      -0.769321     -0.923019      4.078621
  H      -1.653202     -1.512893      5.490080
  H      -2.102295     -3.254569      4.398954
  H      -5.905001     12.596946      3.454737
  H      -6.830506     11.841181      2.147413
  H      -5.450089     12.911513      1.749224
  H      -6.964506     10.628902      4.275971
  H      -7.337496      8.642408      5.740501
  H      -3.456839      5.831362      6.140617
  H      -4.379217      4.809269      5.056633
  H      -3.408820      8.774752      2.700614
  H      -8.815875     -5.379983      4.878516
  H      -7.437239     -6.521474      4.779749
  H      -7.889121     -5.498923      3.377607
  H      -8.984639     -3.370508      3.554892
  H      -9.432761     -0.940562      3.203774
  H      -6.479164      2.200635      5.665190
  H      -5.672441      1.772879      4.169761
  H      -5.503887     -2.367571      5.887599
  N      -1.950429      2.544924      3.083317
  N      -2.236527      3.423408      2.099492
  H      -1.919439      4.779959      4.053615
  H      -3.233536      3.544203      1.887224
  H      -1.678264      3.268838      1.254692
91
Coordinates from ORCA-job orca E -6562.672518506844
  N      -1.497059      0.596175      5.409503
  Mo     -2.588506      2.158998      4.739792
  N      -4.396565      2.459295      5.644937
  C      -4.377595      2.905626      7.062541
  C      -3.128096      2.396174      7.778135
  N      -1.906240      2.767920      6.991411
  C      -0.730170      1.910991      7.307333
  C      -0.945884      0.511968      6.763806
  C      -1.543396      4.205573      7.148576
  C      -1.196778      4.806540      5.791096
  N      -2.312493      4.507519      4.855644
  H       0.025278     -0.015052      6.751644
  H      -1.617322     -0.063529      7.430022
  H       0.140797      2.364891      6.814213
  H      -0.547855      1.894525      8.395648
  H      -1.030340      5.893501      5.869974
  H      -0.288175      4.342134      5.380434
  H      -2.402268      4.725886      7.591070
  H      -0.704523      4.310460      7.853524
  H      -5.267076      2.538456      7.596498
  H      -4.409021      4.006647      7.111107
  H      -3.187252      1.302010      7.814631
  H      -3.052837      2.793287      8.806258
  C      -3.584251     -6.967285      3.469537
  C      -2.853850     -5.677720      3.747275
  O      -1.795366     -5.656813      4.364671
  C      -3.439658     -4.392549      3.228793
  C      -4.511141     -4.346805      2.324438
  C      -5.029669     -3.121111      1.902745
  C      -4.494793     -1.945317      2.410454
  F      -5.024726     -0.787256      1.984449
  C      -3.420505     -1.939999      3.333329
  C      -2.911693     -0.728999      3.955629
  O      -3.542737      0.360299      3.865382
  C      -1.640355     -0.700689      4.762196
  C      -2.905117     -3.195402      3.703679
  C      -5.724671     12.241171      2.552040
  C      -4.784528     11.060928      2.557389
  O      -3.775001     11.046116      1.862734
  C      -5.112168      9.877933      3.426030
  C      -6.234309      9.834477      4.271857
  C      -6.480894      8.714790      5.061639
  C      -5.598051      7.642659      5.002598
  F      -5.886576      6.557900      5.759950
  C      -4.462793      7.636856      4.178423
  C      -3.461203      6.536954      4.085634
  O      -2.574430      6.575831      3.234491
  C      -3.479981      5.390121      5.096061
  C      -4.247018      8.782112      3.393795
  C      -7.796776     -5.545236      4.495526
  C      -6.856689     -4.472461      4.994904
  O      -5.832395     -4.762770      5.605548
  C      -7.206235     -3.036858      4.746824
  C      -8.319367     -2.644424      3.982697
  C      -8.584672     -1.294262      3.764595
  C      -7.726656     -0.345221      4.315431
  F      -8.007603      0.955744      4.079469
  C      -6.611860     -0.687785      5.094807
  C      -5.608808      0.265118      5.685738
  O      -4.897325     -0.121742      6.603323
  C      -5.588729      1.731431      5.240194
  C      -6.380924     -2.053143      5.294694
  H      -3.026074     -7.799947      3.909703
  H      -4.598195     -6.936399      3.894978
  H      -3.691695     -7.133728      2.385878
  H      -4.944372     -5.268109      1.933857
  H      -5.851665     -3.062044      1.189314
  H      -0.786523     -0.940631      4.096542
  H      -1.677210     -1.514584      5.509773
  H      -2.081684     -3.263768      4.415368
  H      -5.818697     12.656424      3.565979
  H      -6.737084     11.953109      2.224230
  H      -5.331703     13.008397      1.877029
  H      -6.923561     10.678550      4.320690
  H      -7.347780      8.655329      5.720127
  H      -3.479731      5.815760      6.107311
  H      -4.410029      4.806467      5.023035
  H      -3.376271      8.814641      2.737138
  H      -8.815791     -5.391045      4.881808
  H      -7.430204     -6.526178      4.815853
  H      -7.866979     -5.521419      3.395892
  H      -8.985186     -3.391355      3.549945
  H      -9.444728     -0.965126      3.181473
  H      -6.503115      2.207340      5.639811
  H      -5.696979      1.771934      4.146228
  H      -5.521654     -2.356600      5.893402
  N      -1.981194      2.508624      3.046262
  N      -2.322596      3.398101      2.088273
  H      -1.956887      4.762560      4.032739
  H      -3.330584      3.495707      1.915380
  H      -1.797824      3.256659      1.219327
91
Coordinates from ORCA-job orca E -6562.645352219261
  N      -1.500383      0.598965      5.377854
  Mo     -2.593583      2.155136      4.683411
  N      -4.411059      2.467258      5.572955
  C      -4.392041      2.927741      6.989886
  C      -3.144803      2.427732      7.715468
  N      -1.915224      2.792514      6.932553
  C      -0.743431      1.935133      7.266662
  C      -0.962394      0.531155      6.739468
  C      -1.545696      4.230744      7.067106
  C      -1.215449      4.812777      5.694712
  N      -2.346685      4.494890      4.781452
  H       0.005506     -0.001318      6.738523
  H      -1.642540     -0.029555      7.408513
  H       0.133843      2.378851      6.776009
  H      -0.572190      1.930363      8.356766
  H      -1.057486      5.901864      5.753267
  H      -0.310842      4.344187      5.279971
  H      -2.396580      4.757103      7.517508
  H      -0.695848      4.340781      7.757605
  H      -5.285700      2.572237      7.524164
  H      -4.413476      4.028235      7.022329
  H      -3.202035      1.333892      7.762636
  H      -3.076942      2.836537      8.739456
  C      -3.577581     -6.994263      3.646664
  C      -2.828110     -5.701614      3.849659
  O      -1.750897     -5.666440      4.433481
  C      -3.414635     -4.433606      3.291512
  C      -4.486875     -4.416567      2.387540
  C      -5.009102     -3.203122      1.933133
  C      -4.478250     -2.012010      2.409405
  F      -5.012114     -0.868482      1.952872
  C      -3.403018     -1.977697      3.330876
  C      -2.906900     -0.753380      3.932571
  O      -3.549514      0.327342      3.823552
  C      -1.640274     -0.705773      4.746617
  C      -2.883879     -3.222082      3.732919
  C      -5.638043     12.340898      2.729613
  C      -4.722282     11.141773      2.705309
  O      -3.702546     11.133132      2.025441
  C      -5.086879      9.930004      3.517797
  C      -6.218265      9.872449      4.350623
  C      -6.493374      8.725416      5.090662
  C      -5.628906      7.640719      4.995570
  F      -5.947237      6.528113      5.697251
  C      -4.487298      7.647135      4.181781
  C      -3.506136      6.533336      4.053646
  O      -2.639609      6.568791      3.181025
  C      -3.510909      5.378934      5.058490
  C      -4.242568      8.819349      3.446087
  C      -7.800704     -5.564951      4.524854
  C      -6.863578     -4.483741      5.012788
  O      -5.857025     -4.763002      5.657236
  C      -7.195963     -3.053574      4.714529
  C      -8.292842     -2.675827      3.920196
  C      -8.551623     -1.329671      3.668609
  C      -7.702420     -0.371215      4.218320
  F      -7.975251      0.924712      3.950401
  C      -6.602425     -0.699593      5.024538
  C      -5.607010      0.262561      5.615404
  O      -4.913983     -0.110208      6.552088
  C      -5.596396      1.727775      5.167570
  C      -6.376796     -2.060575      5.255026
  H      -3.012936     -7.813951      4.102830
  H      -4.578449     -6.937726      4.099267
  H      -3.717993     -7.202933      2.573806
  H      -4.915581     -5.349693      2.020540
  H      -5.829850     -3.165755      1.216713
  H      -0.777827     -0.952962      4.096879
  H      -1.686553     -1.508597      5.505359
  H      -2.060280     -3.267604      4.446351
  H      -5.736519     12.720621      3.756666
  H      -6.652482     12.088934      2.377513
  H      -5.218760     13.123538      2.089005
  H      -6.892407     10.726813      4.428292
  H      -7.368819      8.654074      5.736630
  H      -3.493220      5.801263      6.069625
  H      -4.441283      4.794504      5.004401
  H      -3.365710      8.863035      2.798084
  H      -8.827091     -5.389604      4.881921
  H      -7.451574     -6.538247      4.885478
  H      -7.846384     -5.576704      3.423582
  H      -8.952623     -3.431212      3.492820
  H      -9.400520     -1.011586      3.063484
  H      -6.514341      2.196436      5.565588
  H      -5.701348      1.770622      4.073091
  H      -5.530799     -2.354330      5.877009
  N      -1.978322      2.476327      2.978276
  N      -2.401623      3.402084      2.084720
  H      -2.010121      4.747903      4.027387
  H      -3.421618      3.453202      1.961620
  H      -1.921611      3.304543      1.183240
91
Coordinates from ORCA-job orca E -6562.624321030421
  N      -1.482434      0.593237      5.362015
  Mo     -2.569934      2.150139      4.640410
  N      -4.401290      2.463392      5.521019
  C      -4.386296      2.929083      6.940193
  C      -3.136553      2.442365      7.669919
  N      -1.903916      2.810396      6.885352
  C      -0.728011      1.960872      7.233361
  C      -0.943870      0.548259      6.725987
  C      -1.539684      4.253406      7.004033
  C      -1.226873      4.827572      5.621040
  N      -2.368201      4.487829      4.726192
  H       0.025475      0.018312      6.730688
  H      -1.621626     -0.002524      7.405477
  H       0.149533      2.400178      6.739514
  H      -0.561232      1.971850      8.323956
  H      -1.084034      5.919127      5.667173
  H      -0.321911      4.364553      5.200554
  H      -2.389140      4.776856      7.459543
  H      -0.683874      4.372444      7.685459
  H      -5.279744      2.572882      7.474370
  H      -4.410348      4.028549      6.965903
  H      -3.185597      1.348404      7.724483
  H      -3.071984      2.859622      8.690631
  C      -3.562817     -7.024586      3.756205
  C      -2.815283     -5.726621      3.932916
  O      -1.731408     -5.681234      4.504138
  C      -3.403398     -4.468724      3.353135
  C      -4.471717     -4.468381      2.444684
  C      -4.987604     -3.261649      1.962728
  C      -4.454340     -2.062217      2.415891
  F      -4.974017     -0.928099      1.923221
  C      -3.384961     -2.010375      3.343866
  C      -2.887943     -0.777754      3.924390
  O      -3.523099      0.306143      3.783583
  C      -1.630755     -0.722723      4.753713
  C      -2.874545     -3.249168      3.775045
  C      -5.616799     12.391257      2.861143
  C      -4.704973     11.189598      2.822706
  O      -3.674617     11.194595      2.158404
  C      -5.092469      9.953569      3.585960
  C      -6.238794      9.874565      4.395731
  C      -6.531394      8.705331      5.093563
  C      -5.668111      7.620862      4.980378
  F      -6.006102      6.485156      5.632816
  C      -4.513335      7.647304      4.187580
  C      -3.534379      6.534085      4.041276
  O      -2.671968      6.581499      3.163696
  C      -3.537436      5.362786      5.028139
  C      -4.251826      8.841163      3.492055
  C      -7.858853     -5.554307      4.545505
  C      -6.907096     -4.474093      5.008101
  O      -5.901656     -4.752513      5.654870
  C      -7.221013     -3.046355      4.681985
  C      -8.318693     -2.667845      3.888854
  C      -8.569956     -1.321212      3.628799
  C      -7.711378     -0.364744      4.169555
  F      -7.979947      0.930699      3.898549
  C      -6.607571     -0.695275      4.969230
  C      -5.599682      0.261382      5.550688
  O      -4.908089     -0.114330      6.486153
  C      -5.585015      1.726004      5.105636
  C      -6.389794     -2.055507      5.206890
  H      -2.991099     -7.835366      4.219578
  H      -4.560320     -6.965631      4.215203
  H      -3.711435     -7.250942      2.687727
  H      -4.897011     -5.408223      2.090867
  H      -5.800031     -3.236724      1.236313
  H      -0.761394     -0.993416      4.123577
  H      -1.698296     -1.508698      5.528355
  H      -2.051418     -3.281493      4.489988
  H      -5.733792     12.742455      3.896031
  H      -6.626171     12.156232      2.481936
  H      -5.181128     13.189182      2.251049
  H      -6.910822     10.729467      4.488117
  H      -7.419632      8.616276      5.719700
  H      -3.523702      5.768102      6.045530
  H      -4.464676      4.774594      4.967553
  H      -3.363636      8.902232      2.861038
  H      -8.882471     -5.358011      4.900186
  H      -7.522404     -6.524057      4.927157
  H      -7.908146     -5.590348      3.444798
  H      -8.988122     -3.422093      3.474490
  H      -9.421440     -1.002098      3.027883
  H      -6.505673      2.196177      5.495337
  H      -5.680620      1.771510      4.010186
  H      -5.543056     -2.351016      5.827158
  N      -1.923685      2.466211      2.943743
  N      -2.348298      3.425080      2.082608
  H      -2.047237      4.751365      4.006076
  H      -3.365302      3.426663      1.919142
  H      -1.837507      3.362739      1.193737
91
Coordinates from ORCA-job orca E -6562.622891202753
  N      -1.477240      0.592802      5.342862
  Mo     -2.561505      2.165968      4.632341
  N      -4.409860      2.467785      5.502558
  C      -4.407989      2.915142      6.932352
  C      -3.165620      2.415980      7.667006
  N      -1.919206      2.792825      6.899525
  C      -0.750941      1.930486      7.252856
  C      -0.970453      0.524366      6.721270
  C      -1.551281      4.235502      7.041693
  C      -1.232553      4.829461      5.664749
  N      -2.375612      4.502278      4.767113
  H      -0.006125     -0.014879      6.740059
  H      -1.667574     -0.027805      7.379895
  H       0.137291      2.370828      6.779354
  H      -0.600752      1.924858      8.345859
  H      -1.092739      5.921319      5.724229
  H      -0.327445      4.370688      5.239528
  H      -2.402137      4.752266      7.500467
  H      -0.698842      4.343579      7.729620
  H      -5.306324      2.553195      7.454857
  H      -4.429775      4.012634      6.971741
  H      -3.217950      1.321279      7.707687
  H      -3.111152      2.820488      8.693647
  C      -3.602410     -7.007323      3.703074
  C      -2.851821     -5.710780      3.877393
  O      -1.756149     -5.669610      4.426579
  C      -3.442651     -4.448099      3.308449
  C      -4.497644     -4.437760      2.384768
  C      -4.991109     -3.223508      1.893622
  C      -4.453787     -2.029495      2.357220
  F      -4.928268     -0.891832      1.828948
  C      -3.402479     -1.987526      3.306766
  C      -2.892457     -0.760544      3.887981
  O      -3.524199      0.332268      3.750257
  C      -1.624192     -0.712650      4.703922
  C      -2.915744     -3.232940      3.747659
  C      -5.581453     12.403311      2.842657
  C      -4.661355     11.207384      2.840176
  O      -3.628764     11.202380      2.178252
  C      -5.076998      9.965609      3.577359
  C      -6.254101      9.879435      4.338789
  C      -6.568476      8.706204      5.020830
  C      -5.692189      7.627684      4.945755
  F      -6.059674      6.483235      5.564368
  C      -4.508376      7.660361      4.199693
  C      -3.517733      6.554419      4.089957
  O      -2.636801      6.600542      3.227986
  C      -3.542068      5.382965      5.078115
  C      -4.229603      8.855497      3.510812
  C      -7.846255     -5.584404      4.737824
  C      -6.866950     -4.492279      5.109539
  O      -5.835985     -4.751922      5.723390
  C      -7.177220     -3.079265      4.723447
  C      -8.288141     -2.730616      3.934148
  C      -8.554209     -1.392706      3.643494
  C      -7.698467     -0.415785      4.154281
  F      -7.994944      0.869623      3.870340
  C      -6.578257     -0.717667      4.942742
  C      -5.579564      0.260032      5.510139
  O      -4.857915     -0.109213      6.423762
  C      -5.581904      1.723887      5.063575
  C      -6.343694     -2.069748      5.205792
  H      -3.021418     -7.822656      4.146832
  H      -4.587990     -6.947062      4.186501
  H      -3.775782     -7.226345      2.636495
  H      -4.915152     -5.373656      2.011312
  H      -5.777151     -3.189729      1.138965
  H      -0.759681     -0.963968      4.059507
  H      -1.677575     -1.516264      5.460238
  H      -2.091132     -3.273574      4.460850
  H      -5.728803     12.758881      3.871192
  H      -6.580105     12.163889      2.435268
  H      -5.132389     13.198961      2.239363
  H      -6.933745     10.731274      4.404495
  H      -7.483619      8.609216      5.606030
  H      -3.527064      5.791220      6.094539
  H      -4.473779      4.803028      5.021652
  H      -3.316693      8.924198      2.916664
  H      -8.856562     -5.353981      5.110231
  H      -7.511701     -6.536115      5.164064
  H      -7.929451     -5.682569      3.642870
  H      -8.962635     -3.499717      3.556845
  H      -9.419411     -1.095777      3.050679
  H      -6.514225      2.187913      5.435204
  H      -5.657291      1.766249      3.967784
  H      -5.486095     -2.341756      5.822437
  N      -1.895198      2.519038      2.949631
  N      -2.321069      3.489707      2.109784
  H      -2.027379      4.793498      4.064940
  H      -3.340289      3.501036      1.948939
  H      -1.799722      3.430112      1.225670
91
Coordinates from ORCA-job orca E -6562.631824811321
  N      -1.478941      0.592399      5.331613
  Mo     -2.565603      2.176321      4.633918
  N      -4.424907      2.468325      5.500591
  C      -4.432007      2.898726      6.939293
  C      -3.192782      2.389336      7.673622
  N      -1.938391      2.776027      6.916672
  C      -0.772586      1.906798      7.270376
  C      -0.992569      0.505225      6.719370
  C      -1.572784      4.219376      7.079675
  C      -1.245395      4.830238      5.709587
  N      -2.385251      4.514414      4.803056
  H      -0.030784     -0.038719      6.746323
  H      -1.701202     -0.050637      7.362740
  H       0.120898      2.350419      6.809758
  H      -0.631168      1.888469      8.364376
  H      -1.107680      5.922230      5.781264
  H      -0.338083      4.375949      5.283964
  H      -2.428322      4.728543      7.536545
  H      -0.726666      4.321246      7.776827
  H      -5.331650      2.528287      7.454119
  H      -4.456220      3.994334      6.992070
  H      -3.247105      1.294089      7.701296
  H      -3.143732      2.781776      8.705443
  C      -3.590813     -7.004779      3.607393
  C      -2.861310     -5.699906      3.809064
  O      -1.761979     -5.652949      4.350744
  C      -3.470214     -4.433234      3.265798
  C      -4.517548     -4.414344      2.333597
  C      -5.002302     -3.193692      1.846136
  C      -4.466922     -2.004209      2.324148
  F      -4.910879     -0.863446      1.776201
  C      -3.427890     -1.970887      3.287932
  C      -2.906512     -0.748413      3.870171
  O      -3.537233      0.352294      3.739508
  C      -1.623850     -0.704384      4.666857
  C      -2.952010     -3.221534      3.727083
  C      -5.536121     12.417265      2.819034
  C      -4.612074     11.224672      2.844023
  O      -3.572371     11.214172      2.192439
  C      -5.052685      9.978581      3.557617
  C      -6.258433      9.886690      4.269837
  C      -6.594235      8.710615      4.936964
  C      -5.707757      7.637327      4.901537
  F      -6.101525      6.486685      5.490578
  C      -4.496065      7.675373      4.203869
  C      -3.494774      6.576678      4.133263
  O      -2.586821      6.626390      3.297376
  C      -3.550500      5.399653      5.114087
  C      -4.199278      8.871045      3.521650
  C      -7.827545     -5.603381      4.897917
  C      -6.831527     -4.502255      5.194620
  O      -5.777036     -4.746043      5.774164
  C      -7.148374     -3.102861      4.768217
  C      -8.274056     -2.779141      3.988411
  C      -8.557531     -1.448703      3.679155
  C      -7.705514     -0.454765      4.165245
  F      -8.029597      0.822218      3.877650
  C      -6.568619     -0.733058      4.938477
  C      -5.577589      0.261579      5.493200
  O      -4.827935     -0.103130      6.384651
  C      -5.590443      1.723918      5.042553
  C      -6.315676     -2.078126      5.216525
  H      -2.991926     -7.821120      4.024970
  H      -4.570503     -6.969305      4.104406
  H      -3.773100     -7.202072      2.537927
  H      -4.923302     -5.346570      1.938292
  H      -5.768877     -3.152236      1.072015
  H      -0.767338     -0.936458      4.004744
  H      -1.657889     -1.523143      5.406976
  H      -2.122224     -3.269067      4.434115
  H      -5.713123     12.770030      3.843004
  H      -6.523327     12.178410      2.381796
  H      -5.071795     13.213894      2.228736
  H      -6.944312     10.735615      4.307411
  H      -7.533936      8.607120      5.480965
  H      -3.542792      5.803347      6.132996
  H      -4.487096      4.829976      5.048434
  H      -3.263040      8.946131      2.965568
  H      -8.826011     -5.351002      5.287915
  H      -7.486946     -6.538676      5.354724
  H      -7.941869     -5.747606      3.810862
  H      -8.950915     -3.560105      3.640799
  H      -9.436426     -1.170139      3.097495
  H      -6.530716      2.187454      5.397317
  H      -5.648280      1.760883      3.946846
  H      -5.445559     -2.330253      5.824496
  N      -1.893020      2.558626      2.959619
  N      -2.310857      3.527216      2.120503
  H      -2.004114      4.839194      4.104208
  H      -3.332142      3.560371      1.967100
  H      -1.784996      3.449658      1.239679
91
Coordinates from ORCA-job orca E -6562.634822112786
  N      -1.490815      0.600467      5.299696
  Mo     -2.583541      2.167419      4.571183
  N      -4.460864      2.454673      5.410480
  C      -4.483888      2.902875      6.843724
  C      -3.256423      2.406231      7.604330
  N      -1.989769      2.785779      6.867447
  C      -0.832857      1.918400      7.249754
  C      -1.039992      0.517339      6.698987
  C      -1.622069      4.226223      7.032933
  C      -1.278164      4.833001      5.668426
  N      -2.411594      4.530028      4.753500
  H      -0.079339     -0.026333      6.752311
  H      -1.764669     -0.036802      7.325257
  H       0.069599      2.360053      6.805108
  H      -0.713473      1.904689      8.346394
  H      -1.132718      5.923861      5.742660
  H      -0.371144      4.372999      5.248653
  H      -2.482482      4.738526      7.477321
  H      -0.785529      4.327953      7.741337
  H      -5.389899      2.538105      7.351655
  H      -4.512722      3.998820      6.880018
  H      -3.310348      1.311441      7.641010
  H      -3.226179      2.808893      8.632823
  C      -3.534410     -7.025673      3.645172
  C      -2.817443     -5.712638      3.838476
  O      -1.718084     -5.651871      4.378625
  C      -3.434961     -4.455952      3.281537
  C      -4.474375     -4.453955      2.340414
  C      -4.957665     -3.242237      1.830080
  C      -4.430157     -2.044325      2.295123
  F      -4.864921     -0.913989      1.718847
  C      -3.402768     -1.993272      3.270377
  C      -2.891028     -0.760958      3.840389
  O      -3.524134      0.335731      3.695916
  C      -1.615515     -0.700994      4.642640
  C      -2.927200     -3.235884      3.732461
  C      -5.439591     12.538393      2.999374
  C      -4.517213     11.344093      3.013571
  O      -3.454232     11.357330      2.401023
  C      -4.997401     10.064270      3.636121
  C      -6.237163      9.943242      4.283199
  C      -6.610389      8.735585      4.868710
  C      -5.727975      7.659666      4.819494
  F      -6.160202      6.479220      5.315522
  C      -4.482090      7.727021      4.186975
  C      -3.480934      6.628942      4.117561
  O      -2.529716      6.715055      3.335066
  C      -3.576386      5.420032      5.058228
  C      -4.147597      8.954769      3.583772
  C      -7.844993     -5.642010      5.055627
  C      -6.826159     -4.541099      5.261469
  O      -5.746306     -4.773895      5.797436
  C      -7.156990     -3.152909      4.809585
  C      -8.306786     -2.848295      4.057670
  C      -8.603706     -1.525401      3.730013
  C      -7.742944     -0.518526      4.172295
  F      -8.082393      0.751337      3.869636
  C      -6.583122     -0.777575      4.919072
  C      -5.582574      0.229884      5.433213
  O      -4.821718     -0.115809      6.323458
  C      -5.613555      1.685485      4.963460
  C      -6.316343     -2.116570      5.213989
  H      -2.924879     -7.833953      4.063165
  H      -4.512201     -6.998834      4.146209
  H      -3.719149     -7.229464      2.577376
  H      -4.870345     -5.393096      1.951614
  H      -5.713303     -3.214533      1.044569
  H      -0.752397     -0.928271      3.988110
  H      -1.647470     -1.514597      5.388112
  H      -2.100467     -3.270246      4.443824
  H      -5.675334     12.831952      4.030003
  H      -6.400040     12.329613      2.492382
  H      -4.941790     13.365382      2.482611
  H      -6.920189     10.793724      4.332862
  H      -7.576974      8.608930      5.358081
  H      -3.582278      5.802928      6.085310
  H      -4.517187      4.863649      4.964088
  H      -3.184695      9.053516      3.078962
  H      -8.820941     -5.363255      5.482684
  H      -7.491309     -6.562634      5.531941
  H      -8.013447     -5.827029      3.981766
  H      -8.991055     -3.638137      3.746414
  H      -9.500171     -1.261590      3.168544
  H      -6.560541      2.140138      5.310250
  H      -5.670942      1.707619      3.867086
  H      -5.427669     -2.354560      5.800297
  N      -1.887842      2.531072      2.902896
  N      -2.284513      3.484232      2.049851
  H      -2.020432      4.871161      4.054770
  H      -3.304000      3.522663      1.883782
  H      -1.751326      3.378025      1.175948
91
Coordinates from ORCA-job orca E -6562.627979591549
  N      -1.478514      0.602921      5.274099
  Mo     -2.572285      2.156715      4.511238
  N      -4.465242      2.441977      5.328052
  C      -4.499721      2.901630      6.758651
  C      -3.278158      2.421093      7.536810
  N      -2.003733      2.800163      6.813207
  C      -0.850601      1.939428      7.220012
  C      -1.046921      0.534699      6.679895
  C      -1.638013      4.240614      6.972392
  C      -1.292142      4.840913      5.606846
  N      -2.426521      4.538880      4.693377
  H      -0.085607     -0.005796      6.750429
  H      -1.778473     -0.015612      7.301337
  H       0.056881      2.378996      6.783703
  H      -0.746801      1.936326      8.318303
  H      -1.146867      5.931962      5.678021
  H      -0.385661      4.378997      5.188001
  H      -2.500340      4.753793      7.412114
  H      -0.804242      4.347034      7.683201
  H      -5.409341      2.538654      7.261568
  H      -4.533361      3.997217      6.782782
  H      -3.326122      1.326419      7.582151
  H      -3.262592      2.833420      8.561732
  C      -3.484576     -7.050765      3.744948
  C      -2.771021     -5.731834      3.907977
  O      -1.667046     -5.657079      4.436997
  C      -3.394512     -4.487362      3.329800
  C      -4.427271     -4.504678      2.381644
  C      -4.903996     -3.303146      1.840951
  C      -4.378379     -2.095998      2.284044
  F      -4.797185     -0.979263      1.671087
  C      -3.361836     -2.024372      3.269177
  C      -2.855669     -0.781367      3.820609
  O      -3.484922      0.313837      3.650560
  C      -1.591797     -0.707884      4.635864
  C      -2.892573     -3.257965      3.762152
  C      -5.399728     12.611384      3.174200
  C      -4.481443     11.413788      3.167665
  O      -3.398801     11.448958      2.591357
  C      -4.985107     10.110243      3.718161
  C      -6.243736      9.967559      4.322956
  C      -6.638817      8.737088      4.842941
  C      -5.759501      7.659686      4.772402
  F      -6.214091      6.459394      5.194840
  C      -4.494671      7.748515      4.181398
  C      -3.494238      6.651392      4.098254
  O      -2.531528      6.758050      3.332301
  C      -3.594938      5.423116      5.014702
  C      -4.138223      8.999819      3.642048
  C      -7.924515     -5.631508      5.140256
  C      -6.875138     -4.548038      5.273719
  O      -5.780081     -4.789318      5.774106
  C      -7.196541     -3.164821      4.801307
  C      -8.361982     -2.857891      4.074715
  C      -8.654380     -1.536095      3.738978
  C      -7.774674     -0.532147      4.150423
  F      -8.113478      0.737166      3.844694
  C      -6.598564     -0.793896      4.871434
  C      -5.577726      0.209100      5.356072
  O      -4.808488     -0.135581      6.239677
  C      -5.611368      1.662699      4.883197
  C      -6.336072     -2.132379      5.172015
  H      -2.865361     -7.849629      4.167005
  H      -4.455338     -7.020019      4.258787
  H      -3.682862     -7.272893      2.683227
  H      -4.816576     -5.451607      2.005196
  H      -5.647628     -3.291741      1.043573
  H      -0.718653     -0.945361      3.999048
  H      -1.636171     -1.508617      5.394393
  H      -2.067583     -3.277400      4.476094
  H      -5.673154     12.855329      4.208411
  H      -6.341396     12.433609      2.621791
  H      -4.879938     13.459710      2.717050
  H      -6.924442     10.818806      4.389866
  H      -7.620676      8.593407      5.295990
  H      -3.601458      5.792692      6.046845
  H      -4.534569      4.867471      4.913096
  H      -3.160772      9.116373      3.169906
  H      -8.877079     -5.316845      5.594378
  H      -7.573640     -6.545017      5.632103
  H      -8.138688     -5.845969      4.080033
  H      -9.062126     -3.644479      3.791576
  H      -9.562416     -1.270339      3.197312
  H      -6.561419      2.113540      5.226043
  H      -5.666792      1.683244      3.786596
  H      -5.434924     -2.373123      5.737875
  N      -1.852449      2.500346      2.848123
  N      -2.247896      3.453762      2.001972
  H      -2.046518      4.924430      4.015108
  H      -3.265660      3.469972      1.818485
  H      -1.703728      3.326756      1.136680
91
Coordinates from ORCA-job orca E -6562.629345959780
  N      -1.502392      0.606859      5.277075
  Mo     -2.610797      2.153762      4.520543
  N      -4.498746      2.416662      5.356260
  C      -4.526746      2.886528      6.784335
  C      -3.296671      2.421124      7.558986
  N      -2.029539      2.803897      6.825966
  C      -0.870118      1.946943      7.224889
  C      -1.059538      0.541004      6.680686
  C      -1.670795      4.246925      6.981305
  C      -1.332747      4.855073      5.616988
  N      -2.463704      4.555461      4.698648
  H      -0.092902      0.008751      6.743659
  H      -1.781536     -0.018501      7.305649
  H       0.032242      2.393726      6.784810
  H      -0.759506      1.941234      8.322585
  H      -1.188174      5.945880      5.694735
  H      -0.424876      4.399366      5.194128
  H      -2.534409      4.756019      7.424106
  H      -0.835605      4.357040      7.690071
  H      -5.430670      2.520039      7.295087
  H      -4.570451      3.982242      6.799647
  H      -3.336882      1.326559      7.610928
  H      -3.277371      2.839308      8.581504
  C      -3.451638     -7.055990      3.684536
  C      -2.745970     -5.733048      3.849957
  O      -1.635831     -5.654777      4.365009
  C      -3.388841     -4.486236      3.298092
  C      -4.445674     -4.499660      2.376313
  C      -4.945382     -3.295905      1.862811
  C      -4.416488     -2.090373      2.305483
  F      -4.873448     -0.968115      1.729816
  C      -3.373128     -2.022523      3.263001
  C      -2.865742     -0.781225      3.819200
  O      -3.496051      0.316095      3.657754
  C      -1.604532     -0.707094      4.638677
  C      -2.881766     -3.258257      3.728780
  C      -5.297382     12.667974      3.155218
  C      -4.407155     11.449721      3.134283
  O      -3.312553     11.471749      2.580239
  C      -4.933563     10.157115      3.689440
  C      -6.194249     10.041314      4.295327
  C      -6.615332      8.819831      4.815597
  C      -5.760196      7.723414      4.742718
  F      -6.238622      6.534341      5.171499
  C      -4.492606      7.785959      4.152825
  C      -3.513586      6.669033      4.070816
  O      -2.545788      6.759309      3.309813
  C      -3.632140      5.447289      4.994046
  C      -4.108914      9.030083      3.615919
  C      -7.870518     -5.702099      5.138845
  C      -6.836251     -4.606010      5.285085
  O      -5.741511     -4.835504      5.791309
  C      -7.177079     -3.222116      4.829057
  C      -8.338846     -2.925132      4.092869
  C      -8.638113     -1.606565      3.752181
  C      -7.770666     -0.594960      4.170000
  F      -8.110298      0.669757      3.846592
  C      -6.603114     -0.845146      4.908795
  C      -5.591318      0.166937      5.395066
  O      -4.824942     -0.171098      6.284344
  C      -5.645033      1.622635      4.930245
  C      -6.332511     -2.181597      5.213128
  H      -2.821208     -7.853497      4.092165
  H      -4.416306     -7.038145      4.210039
  H      -3.661612     -7.271027      2.623785
  H      -4.842084     -5.444794      2.003007
  H      -5.716182     -3.280757      1.091847
  H      -0.728404     -0.940358      4.003610
  H      -1.647781     -1.508096      5.397533
  H      -2.041816     -3.279738      4.424991
  H      -5.571160     12.902220      4.191914
  H      -6.239878     12.520138      2.596135
  H      -4.756015     13.511139      2.713769
  H      -6.856401     10.906958      4.362545
  H      -7.599291      8.697474      5.270228
  H      -3.650289      5.825157      6.024397
  H      -4.572840      4.895289      4.882555
  H      -3.129608      9.125840      3.143286
  H      -8.828049     -5.405246      5.594441
  H      -7.507482     -6.615541      5.621914
  H      -8.080132     -5.908922      4.076227
  H      -9.026598     -3.718342      3.797921
  H      -9.540065     -1.349447      3.196412
  H      -6.594882      2.061647      5.290071
  H      -5.718649      1.646598      3.835306
  H      -5.434317     -2.414552      5.786798
  N      -1.909554      2.513931      2.858610
  N      -2.307592      3.478196      2.028971
  H      -2.099162      4.951557      4.018323
  H      -3.323533      3.495673      1.839197
  H      -1.753299      3.346874      1.170839
91
Coordinates from ORCA-job orca E -6562.620676030322
  N      -1.515498      0.612099      5.264370
  Mo     -2.639096      2.149373      4.508739
  N      -4.525025      2.402180      5.353110
  C      -4.551989      2.889338      6.776354
  C      -3.320388      2.433675      7.555380
  N      -2.054997      2.811863      6.817401
  C      -0.894022      1.956915      7.218326
  C      -1.078906      0.549134      6.672381
  C      -1.700040      4.257031      6.964368
  C      -1.362585      4.863912      5.598274
  N      -2.488851      4.561101      4.674044
  H      -0.111153      0.019613      6.738868
  H      -1.802367     -0.012337      7.293708
  H       0.007679      2.405673      6.778745
  H      -0.784629      1.951730      8.316067
  H      -1.219764      5.955019      5.675783
  H      -0.452365      4.410542      5.177916
  H      -2.566022      4.765694      7.403850
  H      -0.865906      4.372349      7.673578
  H      -5.455538      2.528081      7.291387
  H      -4.596559      3.985430      6.776965
  H      -3.358990      1.339656      7.617491
  H      -3.300767      2.861649      8.573819
  C      -3.415473     -7.066641      3.687392
  C      -2.715220     -5.738914      3.836340
  O      -1.595780     -5.651908      4.328947
  C      -3.378397     -4.496175      3.298535
  C      -4.457598     -4.515366      2.402860
  C      -4.980429     -3.314740      1.905490
  C      -4.450085     -2.106052      2.337123
  F      -4.941980     -0.984932      1.787689
  C      -3.381405     -2.032643      3.266264
  C      -2.872613     -0.788713      3.815419
  O      -3.509612      0.306884      3.660663
  C      -1.605274     -0.704835      4.625839
  C      -2.868038     -3.265094      3.716679
  C      -5.213973     12.719955      3.204261
  C      -4.348127     11.485151      3.153902
  O      -3.247115     11.501111      2.612593
  C      -4.892949     10.194198      3.695360
  C      -6.156587     10.089520      4.297223
  C      -6.596962      8.868253      4.801560
  C      -5.758156      7.760219      4.716704
  F      -6.254704      6.573573      5.131803
  C      -4.487234      7.812121      4.132472
  C      -3.522362      6.683187      4.042672
  O      -2.548108      6.769867      3.290135
  C      -3.657830      5.455857      4.956352
  C      -4.083418      9.056997      3.612849
  C      -7.843917     -5.745557      5.150906
  C      -6.815543     -4.644132      5.298366
  O      -5.723570     -4.865487      5.813740
  C      -7.163075     -3.262618      4.840472
  C      -8.317231     -2.975980      4.088532
  C      -8.616781     -1.661881      3.732680
  C      -7.758974     -0.643494      4.153427
  F      -8.094020      0.615911      3.805924
  C      -6.602476     -0.882198      4.913232
  C      -5.599041      0.138792      5.399160
  O      -4.835829     -0.191437      6.294641
  C      -5.670244      1.596109      4.940683
  C      -6.329612     -2.215519      5.230447
  H      -2.772298     -7.859369      4.084230
  H      -4.369408     -7.053207      4.232100
  H      -3.645021     -7.285402      2.631614
  H      -4.858682     -5.462587      2.040008
  H      -5.775430     -3.304151      1.159480
  H      -0.730975     -0.925670      3.984096
  H      -1.633807     -1.506809      5.384160
  H      -2.013207     -3.281041      4.394664
  H      -5.487661     12.931935      4.245827
  H      -6.156592     12.605588      2.637842
  H      -4.654266     13.563621      2.787283
  H      -6.806269     10.963758      4.373438
  H      -7.583675      8.754875      5.252458
  H      -3.686483      5.828948      5.989025
  H      -4.599450      4.908222      4.831349
  H      -3.101460      9.144098      3.144105
  H      -8.805637     -5.450476      5.598634
  H      -7.479658     -6.654778      5.640963
  H      -8.045523     -5.959195      4.088042
  H      -8.996123     -3.774657      3.787796
  H      -9.510401     -1.413137      3.159918
  H      -6.620222      2.024947      5.312324
  H      -5.755222      1.622577      3.847032
  H      -5.437227     -2.440146      5.816334
  N      -1.954069      2.517760      2.844301
  N      -2.355024      3.506850      2.042734
  H      -2.131352      4.964266      4.014699
  H      -3.371772      3.537203      1.860215
  H      -1.808467      3.378128      1.179183
91
Coordinates from ORCA-job orca E -6562.646413341908
  N      -1.569791      0.614211      5.274760
  Mo     -2.695310      2.130440      4.481659
  N      -4.578508      2.392443      5.314701
  C      -4.612089      2.924989      6.719158
  C      -3.383819      2.492636      7.520444
  N      -2.113407      2.843777      6.782882
  C      -0.958044      1.994068      7.206365
  C      -1.135673      0.577032      6.683502
  C      -1.742334      4.287377      6.904039
  C      -1.391351      4.870595      5.531112
  N      -2.520167      4.576675      4.613471
  H      -0.165328      0.053904      6.764016
  H      -1.857754      0.019558      7.310478
  H      -0.054167      2.435131      6.763064
  H      -0.851867      2.008954      8.304474
  H      -1.226109      5.959695      5.597570
  H      -0.488858      4.397080      5.116721
  H      -2.603301      4.815493      7.331839
  H      -0.909515      4.406550      7.614251
  H      -5.516542      2.577683      7.242301
  H      -4.662436      4.021429      6.685211
  H      -3.426496      1.400963      7.613672
  H      -3.371549      2.947860      8.527164
  C      -3.364735     -7.092797      3.679104
  C      -2.682933     -5.758014      3.844465
  O      -1.570561     -5.659874      4.350010
  C      -3.356847     -4.521078      3.307194
  C      -4.443113     -4.548910      2.419736
  C      -4.988121     -3.354103      1.934982
  C      -4.467224     -2.141010      2.364584
  F      -4.997044     -1.021383      1.845445
  C      -3.388817     -2.059887      3.281036
  C      -2.891371     -0.810862      3.830889
  O      -3.526249      0.282254      3.660953
  C      -1.642882     -0.716779      4.665193
  C      -2.854392     -3.286168      3.721741
  C      -5.091024     12.808184      3.338315
  C      -4.251659     11.557807      3.243605
  O      -3.131898     11.576987      2.743316
  C      -4.824433     10.261651      3.742344
  C      -6.093602     10.164278      4.334788
  C      -6.562256      8.937305      4.797544
  C      -5.747572      7.815127      4.679350
  F      -6.269614      6.626876      5.058940
  C      -4.471485      7.859741      4.103904
  C      -3.531036      6.713341      3.987126
  O      -2.555809      6.792579      3.236698
  C      -3.683997      5.477464      4.885331
  C      -4.037306      9.111867      3.630789
  C      -7.766224     -5.815208      5.150883
  C      -6.755042     -4.699742      5.305832
  O      -5.666945     -4.903818      5.835991
  C      -7.130448     -3.319515      4.865509
  C      -8.294233     -3.047901      4.123018
  C      -8.613544     -1.738779      3.769343
  C      -7.767050     -0.708772      4.181539
  F      -8.116263      0.545552      3.827439
  C      -6.603816     -0.930355      4.936068
  C      -5.611486      0.107853      5.404309
  O      -4.848893     -0.196235      6.310772
  C      -5.714256      1.559277      4.931219
  C      -6.310057     -2.260434      5.252415
  H      -2.714615     -7.880757      4.073843
  H      -4.321861     -7.095208      4.218568
  H      -3.584848     -7.304699      2.620233
  H      -4.843310     -5.499259      2.064432
  H      -5.800513     -3.350245      1.207942
  H      -0.755232     -0.957588      4.048699
  H      -1.691996     -1.501443      5.441259
  H      -2.001265     -3.294652      4.401875
  H      -5.384585     12.972569      4.383213
  H      -6.021486     12.743157      2.745808
  H      -4.503620     13.659175      2.978270
  H      -6.725045     11.048741      4.437228
  H      -7.552915      8.830892      5.241149
  H      -3.715779      5.840141      5.922240
  H      -4.630007      4.940494      4.746869
  H      -3.051132      9.192906      3.169879
  H      -8.731769     -5.537829      5.601195
  H      -7.386953     -6.721822      5.634247
  H      -7.964413     -6.024272      4.086571
  H      -8.961890     -3.855888      3.822341
  H      -9.513039     -1.502156      3.200668
  H      -6.668145      1.974862      5.307685
  H      -5.812798      1.566555      3.838105
  H      -5.410359     -2.472595      5.831591
  N      -2.025414      2.493563      2.821373
  N      -2.403866      3.442099      1.965630
  H      -2.192794      5.012855      3.883040
  H      -3.417198      3.486174      1.768777
  H      -1.847406      3.264425      1.116808
91
Coordinates from ORCA-job orca E -6562.653781395148
  N      -1.637280      0.627338      5.267723
  Mo     -2.758691      2.120203      4.433815
  N      -4.645357      2.394870      5.240933
  C      -4.694655      2.970438      6.625829
  C      -3.478929      2.557601      7.456898
  N      -2.198056      2.879405      6.730311
  C      -1.056577      2.031887      7.187452
  C      -1.228563      0.609410      6.683289
  C      -1.807915      4.318930      6.827821
  C      -1.428320      4.871833      5.451527
  N      -2.549013      4.584041      4.524845
  H      -0.260811      0.086015      6.789108
  H      -1.963369      0.060503      7.303230
  H      -0.143826      2.462402      6.751893
  H      -0.968041      2.064216      8.286764
  H      -1.241317      5.958263      5.505372
  H      -0.529190      4.376594      5.056196
  H      -2.665882      4.869461      7.232869
  H      -0.983461      4.440073      7.547269
  H      -5.605991      2.639960      7.147984
  H      -4.745314      4.065048      6.558157
  H      -3.528424      1.468920      7.579399
  H      -3.479725      3.039410      8.451208
  C      -3.337583     -7.109980      3.697794
  C      -2.668512     -5.769751      3.869597
  O      -1.563721     -5.661167      4.388926
  C      -3.347967     -4.540621      3.322102
  C      -4.436032     -4.582207      2.437212
  C      -4.996493     -3.396726      1.950440
  C      -4.488821     -2.176806      2.375309
  F      -5.042792     -1.064018      1.865859
  C      -3.406022     -2.082082      3.285063
  C      -2.921559     -0.825135      3.829605
  O      -3.558242      0.261950      3.644581
  C      -1.688836     -0.714539      4.682998
  C      -2.853728     -3.299544      3.726862
  C      -4.944872     12.891665      3.519142
  C      -4.131780     11.628318      3.379549
  O      -3.015065     11.639734      2.872975
  C      -4.736369     10.327815      3.827462
  C      -6.003530     10.240832      4.426403
  C      -6.504215      9.009063      4.839861
  C      -5.724784      7.870133      4.663234
  F      -6.274695      6.682131      5.004311
  C      -4.451239      7.904184      4.080459
  C      -3.543349      6.737555      3.914557
  O      -2.570827      6.815422      3.161576
  C      -3.713200      5.486847      4.787138
  C      -3.983075      9.162428      3.661246
  C      -7.635106     -5.888263      5.210912
  C      -6.661412     -4.741548      5.373299
  O      -5.575050     -4.908138      5.919818
  C      -7.075479     -3.375682      4.921292
  C      -8.235287     -3.145490      4.159162
  C      -8.577367     -1.852198      3.771531
  C      -7.758412     -0.795154      4.168406
  F      -8.122869      0.442326      3.771382
  C      -6.605127     -0.973415      4.949017
  C      -5.639890      0.096742      5.398634
  O      -4.888792     -0.163797      6.329025
  C      -5.769065      1.533211      4.886126
  C      -6.287707     -2.289484      5.301409
  H      -2.687507     -7.892122      4.103789
  H      -4.302352     -7.118475      4.224376
  H      -3.541511     -7.325229      2.636640
  H      -4.831589     -5.537885      2.091234
  H      -5.817642     -3.404734      1.233483
  H      -0.788745     -0.962703      4.087284
  H      -1.749569     -1.484357      5.473337
  H      -2.002221     -3.296753      4.408820
  H      -5.240933     13.021130      4.568492
  H      -5.872515     12.868714      2.920100
  H      -4.337735     13.743432      3.195465
  H      -6.608002     11.137458      4.573863
  H      -7.493053      8.912240      5.289476
  H      -3.756831      5.833522      5.829651
  H      -4.660517      4.958786      4.624550
  H      -2.998256      9.234652      3.196245
  H      -8.613121     -5.640366      5.651101
  H      -7.231412     -6.781091      5.700079
  H      -7.815216     -6.105546      4.145154
  H      -8.877133     -3.974941      3.860911
  H      -9.471193     -1.648080      3.181734
  H      -6.727546      1.941494      5.258453
  H      -5.874138      1.509441      3.793614
  H      -5.390863     -2.468808      5.895729
  N      -2.080015      2.452579      2.770732
  N      -2.434155      3.380804      1.874961
  H      -2.238681      5.015777      3.756129
  H      -3.442730      3.431559      1.660712
  H      -1.870148      3.153329      1.043830
91
Coordinates from ORCA-job orca E -6562.661208444688
  N      -1.708130      0.643238      5.266910
  Mo     -2.822631      2.109541      4.388064
  N      -4.707642      2.399641      5.171650
  C      -4.773278      3.014988      6.534951
  C      -3.570287      2.625424      7.393353
  N      -2.280978      2.918435      6.678788
  C      -1.156937      2.071663      7.170775
  C      -1.327096      0.645412      6.687151
  C      -1.867004      4.351008      6.752240
  C      -1.459460      4.868951      5.372535
  N      -2.572487      4.587830      4.437992
  H      -0.364321      0.118700      6.820200
  H      -2.076948      0.107831      7.299298
  H      -0.233302      2.489228      6.745778
  H      -1.088245      2.121282      8.271069
  H      -1.246870      5.951433      5.413022
  H      -0.566158      4.348487      4.997638
  H      -2.717243      4.927237      7.137499
  H      -1.048099      4.471358      7.477949
  H      -5.690624      2.698959      7.055808
  H      -4.825515      4.106584      6.437015
  H      -3.623611      1.540719      7.547152
  H      -3.584903      3.134648      8.373770
  C      -3.304773     -7.118911      3.732384
  C      -2.644122     -5.775023      3.903175
  O      -1.548024     -5.655647      4.438145
  C      -3.326406     -4.555525      3.339543
  C      -4.408044     -4.613273      2.447876
  C      -4.978900     -3.438228      1.951009
  C      -4.488256     -2.210695      2.373234
  F      -5.051588     -1.106255      1.856105
  C      -3.412936     -2.100272      3.289334
  C      -2.947740     -0.835474      3.832592
  O      -3.586777      0.243421      3.630692
  C      -1.736020     -0.707343      4.709486
  C      -2.847214     -3.307792      3.739997
  C      -4.802359     12.946165      3.692540
  C      -4.029224     11.666955      3.486120
  O      -2.911799     11.669048      2.981600
  C      -4.661261     10.368078      3.900528
  C      -5.915306     10.295485      4.528876
  C      -6.444460      9.064175      4.906898
  C      -5.706298      7.910411      4.664662
  F      -6.279131      6.725984      4.981410
  C      -4.447337      7.929884      4.049830
  C      -3.580234      6.743154      3.822889
  O      -2.637986      6.808263      3.032114
  C      -3.737343      5.492334      4.696272
  C      -3.949438      9.188042      3.669129
  C      -7.521659     -5.943098      5.238251
  C      -6.578153     -4.773386      5.410073
  O      -5.494172     -4.912814      5.969094
  C      -7.025727     -3.417348      4.958748
  C      -8.190705     -3.217509      4.196046
  C      -8.562036     -1.935010      3.800587
  C      -7.765262     -0.857643      4.185484
  F      -8.157450      0.369360      3.780368
  C      -6.607788     -1.004718      4.966278
  C      -5.665688      0.091857      5.397237
  O      -4.913415     -0.131992      6.336940
  C      -5.818972      1.512762      4.847838
  C      -6.262204     -2.310801      5.331514
  H      -2.658376     -7.895343      4.154808
  H      -4.277047     -7.124549      4.246578
  H      -3.493186     -7.343056      2.670429
  H      -4.793105     -5.575083      2.107129
  H      -5.797515     -3.459822      1.231451
  H      -0.820549     -0.963982      4.140742
  H      -1.813708     -1.461438      5.513679
  H      -2.002976     -3.292149      4.430544
  H      -5.086981     13.036973      4.749618
  H      -5.734090     12.976171      3.101350
  H      -4.172840     13.793793      3.402498
  H      -6.487408     11.203139      4.727545
  H      -7.423578      8.979878      5.379598
  H      -3.781252      5.839240      5.738022
  H      -4.684653      4.963908      4.530006
  H      -2.975036      9.248080      3.181219
  H      -8.507117     -5.721302      5.675512
  H      -7.097181     -6.827639      5.724818
  H      -7.691069     -6.159613      4.170802
  H      -8.813647     -4.062894      3.902434
  H      -9.461278     -1.754348      3.211326
  H      -6.779155      1.914069      5.222413
  H      -5.936718      1.460296      3.756873
  H      -5.361314     -2.465173      5.926709
  N      -2.131547      2.415857      2.723256
  N      -2.448987      3.322131      1.783643
  H      -2.259919      5.010347      3.626952
  H      -3.453219      3.390438      1.558823
  H      -1.891475      3.028112      0.969832
91
Coordinates from ORCA-job orca E -6562.664619780815
  N      -1.745964      0.646053      5.283767
  Mo     -2.853900      2.104518      4.396799
  N      -4.727873      2.406924      5.179754
  C      -4.796529      3.033680      6.533610
  C      -3.602758      2.640163      7.400502
  N      -2.313223      2.920303      6.691350
  C      -1.199403      2.067780      7.189371
  C      -1.375498      0.645587      6.703934
  C      -1.890323      4.347947      6.765183
  C      -1.471132      4.860311      5.389864
  N      -2.570459      4.585364      4.436071
  H      -0.417541      0.111857      6.843768
  H      -2.134326      0.111384      7.308129
  H      -0.270503      2.480047      6.770797
  H      -1.137549      2.115371      8.290306
  H      -1.246767      5.940375      5.434033
  H      -0.577121      4.333090      5.026238
  H      -2.736701      4.932297      7.147458
  H      -1.072777      4.462169      7.493236
  H      -5.718711      2.727316      7.051920
  H      -4.842322      4.125253      6.428876
  H      -3.662035      1.556466      7.560744
  H      -3.619665      3.154823      8.377923
  C      -3.312625     -7.107494      3.682115
  C      -2.652447     -5.767104      3.875663
  O      -1.565840     -5.652412      4.430647
  C      -3.327996     -4.544094      3.313448
  C      -4.403510     -4.597145      2.414474
  C      -4.975378     -3.421056      1.923827
  C      -4.489997     -2.195953      2.358359
  F      -5.051479     -1.087873      1.848035
  C      -3.422661     -2.091106      3.283247
  C      -2.967362     -0.829999      3.841752
  O      -3.605658      0.245917      3.644018
  C      -1.765903     -0.703158      4.730571
  C      -2.854094     -3.299279      3.727044
  C      -4.765695     12.939103      3.664005
  C      -3.993834     11.657147      3.469641
  O      -2.875910     11.653207      2.966850
  C      -4.632762     10.361825      3.885954
  C      -5.881167     10.298005      4.527105
  C      -6.418585      9.070350      4.905560
  C      -5.694981      7.910988      4.648587
  F      -6.269293      6.729712      4.975926
  C      -4.442887      7.921922      4.019239
  C      -3.591083      6.726615      3.779660
  O      -2.662294      6.779139      2.973023
  C      -3.736519      5.490393      4.673859
  C      -3.935293      9.176108      3.640839
  C      -7.430929     -5.966856      5.185091
  C      -6.513380     -4.783526      5.395393
  O      -5.426136     -4.917225      5.950039
  C      -6.989924     -3.424503      4.982199
  C      -8.171797     -3.227933      4.245078
  C      -8.572421     -1.944100      3.884430
  C      -7.784730     -0.861751      4.272145
  F      -8.206554      0.368023      3.904448
  C      -6.608215     -1.005869      5.024169
  C      -5.675083      0.099269      5.448139
  O      -4.914279     -0.112281      6.384246
  C      -5.836579      1.511754      4.879000
  C      -6.236369     -2.312657      5.361836
  H      -2.678420     -7.888832      4.113864
  H      -4.295817     -7.110199      4.177058
  H      -3.479752     -7.324049      2.615321
  H      -4.787348     -5.557233      2.067630
  H      -5.791428     -3.439775      1.201255
  H      -0.844799     -0.960298      4.170763
  H      -1.851044     -1.455481      5.535722
  H      -2.018300     -3.287093      4.427575
  H      -5.054841     13.040725      4.719357
  H      -5.694340     12.962750      3.068902
  H      -4.134482     13.783635      3.368677
  H      -6.442005     11.209896      4.736832
  H      -7.392240      8.993534      5.390510
  H      -3.786562      5.852007      5.710149
  H      -4.680979      4.955611      4.505777
  H      -2.965852      9.228328      3.142453
  H      -8.418798     -5.782989      5.634089
  H      -6.983959     -6.858459      5.637311
  H      -7.599626     -6.148080      4.111165
  H      -8.786138     -4.077257      3.944753
  H      -9.487057     -1.766204      3.318502
  H      -6.791561      1.913623      5.264069
  H      -5.971576      1.444384      3.789552
  H      -5.321880     -2.462879      5.936950
  N      -2.162956      2.411800      2.730154
  N      -2.446887      3.328279      1.777942
  H      -2.224702      4.993291      3.625261
  H      -3.447424      3.428405      1.554105
  H      -1.907397      3.002640      0.965116
91
Coordinates from ORCA-job orca E -6562.669285287520
  N      -1.750927      0.648399      5.305117
  Mo     -2.865043      2.096318      4.421050
  N      -4.721917      2.414259      5.216235
  C      -4.784032      3.051430      6.560947
  C      -3.593985      2.650991      7.427370
  N      -2.309099      2.918299      6.712729
  C      -1.200540      2.061227      7.209003
  C      -1.386921      0.642932      6.724047
  C      -1.878934      4.341784      6.786734
  C      -1.450635      4.843963      5.414825
  N      -2.539084      4.576159      4.444511
  H      -0.435454      0.099077      6.868422
  H      -2.154333      0.115197      7.322740
  H      -0.269193      2.467141      6.789817
  H      -1.137778      2.108408      8.309971
  H      -1.212617      5.921229      5.459233
  H      -0.558055      4.306756      5.062285
  H      -2.720402      4.934943      7.167486
  H      -1.060434      4.450692      7.514353
  H      -5.708617      2.758484      7.082812
  H      -4.819974      4.143329      6.451457
  H      -3.659919      1.569352      7.595143
  H      -3.604589      3.171489      8.401896
  C      -3.298869     -7.097158      3.636682
  C      -2.636157     -5.759509      3.840039
  O      -1.553764     -5.648967      4.403738
  C      -3.314919     -4.532052      3.292403
  C      -4.397145     -4.579373      2.401258
  C      -4.980345     -3.401625      1.930417
  C      -4.497962     -2.179557      2.376070
  F      -5.075135     -1.067360      1.893066
  C      -3.424812     -2.081190      3.294381
  C      -2.975097     -0.824785      3.866626
  O      -3.617507      0.247879      3.682595
  C      -1.770884     -0.697991      4.751154
  C      -2.842892     -3.290502      3.716586
  C      -4.811531     12.906192      3.615044
  C      -4.016110     11.635485      3.442741
  O      -2.880740     11.648824      2.981523
  C      -4.642211     10.332702      3.855948
  C      -5.895674     10.254183      4.486324
  C      -6.421922      9.020871      4.862461
  C      -5.682470      7.870704      4.612362
  F      -6.238284      6.681311      4.944242
  C      -4.426419      7.896706      3.991130
  C      -3.562351      6.708391      3.760122
  O      -2.636802      6.759220      2.950984
  C      -3.703493      5.481212      4.664649
  C      -3.928981      9.155180      3.616929
  C      -7.419402     -5.955466      5.087988
  C      -6.512175     -4.772878      5.339794
  O      -5.418117     -4.918074      5.877934
  C      -7.002576     -3.403592      4.979456
  C      -8.201147     -3.188359      4.275327
  C      -8.611685     -1.895932      3.959594
  C      -7.815697     -0.823169      4.355002
  F      -8.247576      0.416701      4.033772
  C      -6.619935     -0.986684      5.071383
  C      -5.679102      0.108342      5.497653
  O      -4.909014     -0.114059      6.423674
  C      -5.836541      1.523117      4.931210
  C      -6.241132     -2.300867      5.370280
  H      -2.671383     -7.882450      4.070805
  H      -4.285589     -7.096518      4.124936
  H      -3.459151     -7.308668      2.568164
  H      -4.783079     -5.537288      2.050993
  H      -5.806340     -3.416589      1.219229
  H      -0.852616     -0.952146      4.185237
  H      -1.849446     -1.452454      5.555131
  H      -2.006103     -3.283058      4.415813
  H      -5.132594     13.009065      4.661303
  H      -5.722525     12.910055      2.993843
  H      -4.186031     13.759663      3.333656
  H      -6.469048     11.159089      4.690960
  H      -7.397738      8.933276      5.340992
  H      -3.764217      5.847572      5.698204
  H      -4.644927      4.943460      4.484118
  H      -2.956393      9.217527      3.126068
  H      -8.402522     -5.803923      5.558576
  H      -6.955903     -6.861454      5.492351
  H      -7.600375     -6.088710      4.009185
  H      -8.819989     -4.029810      3.963076
  H      -9.540008     -1.704062      3.421277
  H      -6.781916      1.928608      5.334879
  H      -5.994283      1.456148      3.844178
  H      -5.313962     -2.463867      5.920906
  N      -2.186703      2.406951      2.749367
  N      -2.428599      3.326024      1.779190
  H      -2.158053      4.968222      3.622026
  H      -3.426319      3.466328      1.567117
  H      -1.928031      2.954535      0.961810
91
Coordinates from ORCA-job orca E -6562.672191216157
  N      -1.737482      0.648638      5.321689
  Mo     -2.867365      2.090619      4.459432
  N      -4.703107      2.415896      5.279854
  C      -4.753175      3.052324      6.620867
  C      -3.561155      2.636998      7.475897
  N      -2.286859      2.905089      6.748004
  C      -1.172020      2.048455      7.226674
  C      -1.363581      0.634168      6.736252
  C      -1.865438      4.329419      6.827878
  C      -1.439455      4.833913      5.459856
  N      -2.516904      4.563822      4.474040
  H      -0.413123      0.086429      6.870987
  H      -2.128686      0.104965      7.336377
  H      -0.245655      2.457220      6.799395
  H      -1.097428      2.089592      8.327185
  H      -1.201878      5.911060      5.506853
  H      -0.542875      4.299414      5.112833
  H      -2.708231      4.918566      7.213062
  H      -1.044641      4.439041      7.552811
  H      -5.677442      2.767781      7.147920
  H      -4.779000      4.145961      6.515392
  H      -3.630457      1.555163      7.640433
  H      -3.559630      3.153464      8.452612
  C      -3.288475     -7.084446      3.596289
  C      -2.625286     -5.749383      3.814597
  O      -1.548554     -5.643775      4.389763
  C      -3.302922     -4.517879      3.275765
  C      -4.388755     -4.560070      2.388900
  C      -4.980202     -3.380870      1.933908
  C      -4.501320     -2.161637      2.390647
  F      -5.088192     -1.046383      1.927334
  C      -3.423966     -2.069147      3.304241
  C      -2.977744     -0.817805      3.888731
  O      -3.628499      0.250965      3.727097
  C      -1.762560     -0.692384      4.758829
  C      -2.832260     -3.279393      3.708915
  C      -4.860151     12.861195      3.516803
  C      -4.044863     11.598399      3.382901
  O      -2.901254     11.618913      2.943273
  C      -4.661377     10.294361      3.807300
  C      -5.918168     10.210658      4.430827
  C      -6.435445      8.976980      4.818285
  C      -5.684261      7.831451      4.584786
  F      -6.226750      6.640561      4.934343
  C      -4.424862      7.862835      3.969260
  C      -3.549948      6.678817      3.752118
  O      -2.624030      6.727430      2.944564
  C      -3.682497      5.464312      4.672973
  C      -3.936042      9.120968      3.585113
  C      -7.423903     -5.929265      4.950698
  C      -6.527255     -4.753730      5.263214
  O      -5.432269     -4.916510      5.794432
  C      -7.025814     -3.372352      4.964714
  C      -8.235958     -3.131276      4.289608
  C      -8.650761     -1.828345      4.027025
  C      -7.845465     -0.770461      4.441633
  F      -8.280461      0.481373      4.173021
  C      -6.636234     -0.960244      5.127733
  C      -5.685477      0.119456      5.566167
  O      -4.913023     -0.118598      6.486373
  C      -5.828106      1.537047      5.002531
  C      -6.255959     -2.283887      5.379622
  H      -2.668696     -7.873821      4.033878
  H      -4.281106     -7.082963      4.073137
  H      -3.436844     -7.289000      2.524927
  H      -4.776613     -5.516039      2.035659
  H      -5.812904     -3.392628      1.230566
  H      -0.853157     -0.937002      4.174599
  H      -1.823180     -1.454473      5.557210
  H      -1.996558     -3.276384      4.409319
  H      -5.203299     12.983923      4.554102
  H      -5.758367     12.835438      2.878482
  H      -4.241996     13.717565      3.228128
  H      -6.501483     11.111877      4.622081
  H      -7.412622      8.886104      5.293227
  H      -3.755034      5.838365      5.702934
  H      -4.618504      4.918591      4.484291
  H      -2.961424      9.186303      3.098826
  H      -8.406653     -5.813848      5.432036
  H      -6.949740     -6.851059      5.303639
  H      -7.606568     -6.005024      3.866703
  H      -8.860551     -3.960492      3.956842
  H      -9.588674     -1.617196      3.513195
  H      -6.763527      1.952189      5.418248
  H      -6.000742      1.471776      3.916858
  H      -5.319442     -2.465530      5.907923
  N      -2.218238      2.412569      2.779811
  N      -2.433025      3.342412      1.805538
  H      -2.105149      4.938128      3.653544
  H      -3.428635      3.519888      1.614286
  H      -1.975512      2.949710      0.973488
91
Coordinates from ORCA-job orca E -6562.675395414242
  N      -1.696211      0.648277      5.344885
  Mo     -2.854493      2.083545      4.518490
  N      -4.666034      2.413569      5.375126
  C      -4.694849      3.042731      6.715788
  C      -3.492215      2.611113      7.547750
  N      -2.235281      2.889242      6.794771
  C      -1.103260      2.040290      7.243520
  C      -1.297453      0.627130      6.751697
  C      -1.832251      4.318401      6.878795
  C      -1.416987      4.825911      5.511567
  N      -2.489717      4.545965      4.518648
  H      -0.344466      0.079919      6.867225
  H      -2.050892      0.094455      7.363278
  H      -0.189660      2.457017      6.796840
  H      -1.004194      2.077781      8.342197
  H      -1.187102      5.904618      5.554798
  H      -0.515983      4.297783      5.165963
  H      -2.678931      4.897378      7.271141
  H      -1.007063      4.435188      7.597802
  H      -5.615030      2.765719      7.253683
  H      -4.710087      4.138547      6.618102
  H      -3.561161      1.528472      7.704742
  H      -3.470231      3.119142      8.528695
  C      -3.246785     -7.075605      3.566804
  C      -2.583209     -5.740867      3.787992
  O      -1.505181     -5.638183      4.360995
  C      -3.269568     -4.506934      3.267201
  C      -4.369831     -4.547049      2.398067
  C      -4.982464     -3.368129      1.972636
  C      -4.509243     -2.150956      2.440493
  F      -5.126777     -1.035583      2.018898
  C      -3.414628     -2.060964      3.333588
  C      -2.971762     -0.814412      3.929137
  O      -3.638002      0.247748      3.798611
  C      -1.734864     -0.687173      4.770110
  C      -2.800996     -3.270449      3.706600
  C      -4.952388     12.793488      3.371840
  C      -4.104917     11.547155      3.297940
  O      -2.949727     11.582649      2.890965
  C      -4.702331     10.241451      3.744066
  C      -5.964574     10.147305      4.355237
  C      -6.463003      8.913180      4.765579
  C      -5.689152      7.777337      4.563696
  F      -6.209213      6.584715      4.941738
  C      -4.424442      7.819106      3.958481
  C      -3.528752      6.645079      3.766543
  O      -2.600608      6.693335      2.963033
  C      -3.656183      5.440184      4.699123
  C      -3.953164      9.077276      3.555087
  C      -7.492126     -5.866639      4.733348
  C      -6.597741     -4.715977      5.130588
  O      -5.503700     -4.914892      5.651043
  C      -7.091566     -3.317058      4.919015
  C      -8.312878     -3.028433      4.284705
  C      -8.714610     -1.709240      4.092064
  C      -7.883264     -0.682425      4.530805
  F      -8.302082      0.587397      4.326922
  C      -6.661530     -0.920038      5.177781
  C      -5.684138      0.126646      5.634007
  O      -4.907681     -0.146436      6.540880
  C      -5.806079      1.555729      5.095404
  C      -6.297106     -2.258653      5.365693
  H      -2.625111     -7.866492      3.998617
  H      -4.238377     -7.079194      4.045679
  H      -3.398337     -7.274150      2.494847
  H      -4.758758     -5.501986      2.043566
  H      -5.832865     -3.378939      1.290915
  H      -0.843125     -0.919220      4.154176
  H      -1.764907     -1.459015      5.560988
  H      -1.957556     -3.270337      4.397514
  H      -5.330055     12.943282      4.393639
  H      -5.829722     12.721288      2.709108
  H      -4.347117     13.655365      3.072478
  H      -6.567084     11.040885      4.520452
  H      -7.442602      8.815212      5.233821
  H      -3.741081      5.817493      5.726967
  H      -4.586718      4.886854      4.501358
  H      -2.975329      9.149469      3.076596
  H      -8.473723     -5.792335      5.224959
  H      -7.013913     -6.810818      5.014380
  H      -7.677341     -5.860052      3.647167
  H      -8.955966     -3.832410      3.926232
  H      -9.660885     -1.462267      3.610715
  H      -6.729978      1.978947      5.528279
  H      -5.994018      1.507835      4.011031
  H      -5.351542     -2.476893      5.862879
  N      -2.252963      2.411352      2.827627
  N      -2.455263      3.340881      1.846705
  H      -2.061670      4.900301      3.687380
  H      -3.451384      3.547021      1.688724
  H      -2.055698      2.927302      0.995096
91
Coordinates from ORCA-job orca E -6562.674836579442
  N      -1.710248      0.641938      5.322205
  Mo     -2.860116      2.094764      4.508859
  N      -4.680688      2.426897      5.355770
  C      -4.719415      3.045303      6.698016
  C      -3.528704      2.592119      7.537338
  N      -2.262031      2.871415      6.800271
  C      -1.133197      2.012917      7.244794
  C      -1.319803      0.603401      6.732433
  C      -1.865106      4.299333      6.913488
  C      -1.431018      4.830014      5.563775
  N      -2.492319      4.559913      4.561173
  H      -0.366372      0.056285      6.847082
  H      -2.075587      0.061580      7.334167
  H      -0.217740      2.438181      6.809598
  H      -1.039967      2.033710      8.344637
  H      -1.207422      5.908984      5.622477
  H      -0.524057      4.311303      5.219610
  H      -2.720780      4.868040      7.300690
  H      -1.052249      4.408397      7.648370
  H      -5.646287      2.766757      7.223515
  H      -4.727277      4.143922      6.610694
  H      -3.609288      1.506571      7.680426
  H      -3.512081      3.087698      8.524389
  C      -3.293665     -7.065813      3.572178
  C      -2.615960     -5.737514      3.779999
  O      -1.546218     -5.636548      4.369366
  C      -3.285970     -4.505487      3.236507
  C      -4.372389     -4.546735      2.349499
  C      -4.971684     -3.367836      1.906140
  C      -4.504247     -2.149635      2.377808
  F      -5.110444     -1.036610      1.932903
  C      -3.422201     -2.058085      3.287427
  C      -2.982144     -0.809112      3.886684
  O      -3.650825      0.254134      3.756566
  C      -1.749760     -0.689051      4.733352
  C      -2.819358     -3.268404      3.675952
  C      -4.885227     12.833361      3.354432
  C      -4.047528     11.579200      3.307252
  O      -2.891387     11.596272      2.900566
  C      -4.663331     10.284001      3.759076
  C      -5.934126     10.208410      4.352486
  C      -6.449377      8.983736      4.769358
  C      -5.683573      7.837511      4.593032
  F      -6.228548      6.658810      4.979293
  C      -4.408556      7.859796      4.004567
  C      -3.512941      6.681532      3.827467
  O      -2.577325      6.729632      3.032441
  C      -3.657164      5.459489      4.738554
  C      -3.923527      9.110745      3.592039
  C      -7.372656     -5.891519      4.823722
  C      -6.509721     -4.717357      5.222202
  O      -5.421527     -4.887891      5.765099
  C      -7.024885     -3.333110      4.965966
  C      -8.235472     -3.091049      4.293920
  C      -8.664263     -1.788193      4.058392
  C      -7.870132     -0.730063      4.491193
  F      -8.321563      0.519576      4.240776
  C      -6.658520     -0.918089      5.177068
  C      -5.715804      0.163467      5.641213
  O      -4.931292     -0.086568      6.548505
  C      -5.825243      1.579404      5.067174
  C      -6.267086     -2.244051      5.405446
  H      -2.686899     -7.857725      4.023537
  H      -4.291197     -7.045896      4.040648
  H      -3.435705     -7.279296      2.501214
  H      -4.758473     -5.502192      1.993350
  H      -5.808165     -3.378591      1.207120
  H      -0.855902     -0.915124      4.116944
  H      -1.782466     -1.468404      5.516197
  H      -1.984648     -3.267537      4.377782
  H      -5.266046     13.001639      4.371980
  H      -5.760893     12.757888      2.688499
  H      -4.271267     13.685310      3.044581
  H      -6.531244     11.109324      4.497768
  H      -7.436877      8.900894      5.224103
  H      -3.751424      5.819797      5.772740
  H      -4.588074      4.913168      4.527603
  H      -2.938106      9.169459      3.127113
  H      -8.367053     -5.827412      5.291119
  H      -6.884117     -6.821768      5.132192
  H      -7.532919     -5.906619      3.733673
  H      -8.850797     -3.920093      3.942519
  H      -9.604089     -1.577647      3.547566
  H      -6.753050      2.014742      5.481048
  H      -5.994633      1.518237      3.981675
  H      -5.330111     -2.428410      5.932491
  N      -2.277105      2.383660      2.808358
  N      -2.602996      3.259337      1.817438
  H      -2.194132      4.838756      3.521070
  H      -3.613419      3.432897      1.722558
  H      -2.233708      2.867066      0.941822
91
Coordinates from ORCA-job orca E -6562.683053693108
  N      -1.641350      0.623642      5.374284
  Mo     -2.774101      2.084439      4.577943
  N      -4.572845      2.457775      5.425868
  C      -4.594658      3.071998      6.759383
  C      -3.411699      2.593201      7.593948
  N      -2.154417      2.853240      6.845823
  C      -1.032088      1.985143      7.277557
  C      -1.239821      0.577692      6.774585
  C      -1.752670      4.279137      6.953365
  C      -1.324390      4.799418      5.601683
  N      -2.392862      4.524453      4.608457
  H      -0.295067      0.014999      6.882475
  H      -1.998151      0.047928      7.383538
  H      -0.116860      2.399200      6.831042
  H      -0.925668      2.007855      8.376274
  H      -1.094713      5.877324      5.652023
  H      -0.421632      4.274901      5.256419
  H      -2.603203      4.854755      7.343010
  H      -0.934511      4.390685      7.681753
  H      -5.526662      2.815681      7.286447
  H      -4.577328      4.172674      6.678553
  H      -3.508242      1.511488      7.741139
  H      -3.379093      3.090092      8.580203
  C      -3.363098     -7.045535      3.553976
  C      -2.657636     -5.732922      3.771584
  O      -1.596695     -5.658643      4.379623
  C      -3.306089     -4.482695      3.245096
  C      -4.392229     -4.496255      2.355995
  C      -4.976511     -3.305348      1.930271
  C      -4.496887     -2.100504      2.422250
  F      -5.094350     -0.972871      2.000346
  C      -3.415352     -2.036232      3.334296
  C      -2.960470     -0.797756      3.946431
  O      -3.615117      0.269390      3.827698
  C      -1.717707     -0.699234      4.780195
  C      -2.824947     -3.259019      3.703552
  C      -5.209341     12.662589      3.207245
  C      -4.294280     11.463581      3.180578
  O      -3.149071     11.541236      2.751517
  C      -4.816342     10.150096      3.693672
  C      -6.068494     10.017405      4.317644
  C      -6.498498      8.780256      4.790559
  C      -5.666737      7.679164      4.637196
  F      -6.118374      6.482558      5.088373
  C      -4.409030      7.759437      4.016683
  C      -3.456677      6.624582      3.855695
  O      -2.550715      6.682236      3.031295
  C      -3.559936      5.409133      4.777029
  C      -4.009482      9.019303      3.549508
  C      -7.515645     -5.740626      4.637396
  C      -6.638506     -4.610159      5.118098
  O      -5.563287     -4.832572      5.667030
  C      -7.106659     -3.203041      4.903401
  C      -8.293342     -2.896747      4.216280
  C      -8.671939     -1.573237      4.015369
  C      -7.851178     -0.557692      4.492939
  F      -8.253675      0.716340      4.277567
  C      -6.661265     -0.809863      5.194169
  C      -5.700665      0.226670      5.710357
  O      -4.909084     -0.079578      6.594216
  C      -5.738419      1.645067      5.130987
  C      -6.320944     -2.154814      5.391153
  H      -2.777036     -7.852262      4.005638
  H      -4.364053     -7.010893      4.012460
  H      -3.500101     -7.248095      2.480834
  H      -4.791505     -5.441209      1.987728
  H      -5.813689     -3.295616      1.232439
  H      -0.839370     -0.933152      4.143520
  H      -1.746782     -1.485256      5.557171
  H      -1.991632     -3.281105      4.406032
  H      -5.583994     12.850842      4.224785
  H      -6.087806     12.495039      2.564960
  H      -4.660675     13.540408      2.850711
  H      -6.718457     10.883454      4.443668
  H      -7.468363      8.654743      5.271967
  H      -3.655681      5.768820      5.810725
  H      -4.483182      4.846408      4.564494
  H      -3.039513      9.119230      3.060858
  H      -8.519349     -5.679537      5.084090
  H      -7.054273     -6.696297      4.907381
  H      -7.648366     -5.693135      3.544815
  H      -8.929699     -3.691140      3.825905
  H      -9.593739     -1.313880      3.494629
  H      -6.653065      2.114199      5.540121
  H      -5.907959      1.584582      4.045789
  H      -5.403021     -2.388393      5.931774
  N      -2.194319      2.359764      2.881233
  N      -2.440595      3.234383      1.863270
  H      -1.984166      4.665186      3.617452
  H      -3.438047      3.458784      1.754148
  H      -2.083761      2.867970      0.972477
91
Coordinates from ORCA-job orca E -6562.672961361497
  N      -1.616126      0.631122      5.413854
  Mo     -2.749109      2.086896      4.650233
  N      -4.525238      2.445379      5.513086
  C      -4.532315      3.038056      6.847014
  C      -3.337682      2.561881      7.659478
  N      -2.102581      2.834722      6.896660
  C      -0.978217      1.969413      7.305403
  C      -1.194834      0.569844      6.799029
  C      -1.698412      4.257930      6.991443
  C      -1.279751      4.757717      5.626703
  N      -2.352001      4.483821      4.637330
  H      -0.249564      0.005090      6.888849
  H      -1.944521      0.033017      7.412371
  H      -0.070000      2.385909      6.847089
  H      -0.853746      1.985696      8.402605
  H      -1.032393      5.832337      5.665776
  H      -0.385281      4.217704      5.285515
  H      -2.538504      4.844510      7.388516
  H      -0.869553      4.372065      7.706323
  H      -5.455935      2.770363      7.383234
  H      -4.522502      4.139211      6.786398
  H      -3.418919      1.479588      7.799230
  H      -3.296476      3.049730      8.650042
  C      -3.366343     -7.008580      3.494241
  C      -2.656890     -5.702039      3.736431
  O      -1.595447     -5.643366      4.344228
  C      -3.305404     -4.440123      3.239428
  C      -4.396186     -4.435293      2.355809
  C      -4.980120     -3.238845      1.953345
  C      -4.495336     -2.043965      2.462441
  F      -5.087991     -0.905726      2.062649
  C      -3.411537     -1.998216      3.369716
  C      -2.951504     -0.766444      3.993250
  O      -3.598283      0.294735      3.890902
  C      -1.702535     -0.679354      4.812925
  C      -2.820374     -3.226287      3.717293
  C      -5.377548     12.530744      3.088060
  C      -4.417939     11.367237      3.061628
  O      -3.286108     11.480588      2.608015
  C      -4.883008     10.044399      3.606082
  C      -6.121425      9.879199      4.252572
  C      -6.502527      8.637309      4.754035
  C      -5.635542      7.564930      4.606081
  F      -6.027881      6.358005      5.089986
  C      -4.391610      7.679171      3.963454
  C      -3.414000      6.565441      3.810799
  O      -2.518001      6.621446      2.979750
  C      -3.504509      5.373521      4.758948
  C      -4.040504      8.939773      3.468018
  C      -7.651583     -5.657057      4.507823
  C      -6.744860     -4.572663      5.033945
  O      -5.676746     -4.844205      5.574061
  C      -7.169904     -3.145697      4.868855
  C      -8.343206     -2.775934      4.189325
  C      -8.678008     -1.434740      4.034958
  C      -7.828373     -0.463878      4.548862
  F      -8.185183      0.833716      4.383912
  C      -6.651640     -0.780650      5.242080
  C      -5.674301      0.213788      5.788698
  O      -4.880087     -0.130296      6.656771
  C      -5.690019      1.638249      5.222187
  C      -6.353430     -2.140912      5.395331
  H      -2.781370     -7.825622      3.927662
  H      -4.366333     -6.983970      3.954547
  H      -3.505316     -7.186722      2.417948
  H      -4.799740     -5.372805      1.973993
  H      -5.820228     -3.215963      1.259584
  H      -0.834308     -0.907177      4.159282
  H      -1.719637     -1.473279      5.582918
  H      -1.983595     -3.263418      4.414053
  H      -5.745254     12.730103      4.107597
  H      -6.255582     12.307162      2.466311
  H      -4.872187     13.422606      2.703560
  H      -6.799104     10.723543      4.373728
  H      -7.459335      8.487595      5.253619
  H      -3.606140      5.752362      5.783108
  H      -4.426481      4.807566      4.539090
  H      -3.081831      9.061347      2.963192
  H      -8.654373     -5.583813      4.953757
  H      -7.217741     -6.634709      4.741739
  H      -7.777082     -5.562706      3.417938
  H      -9.003471     -3.534046      3.769098
  H      -9.588665     -1.126492      3.521704
  H      -6.597374      2.111291      5.644734
  H      -5.872271      1.583677      4.137436
  H      -5.445600     -2.420880      5.930362
  N      -2.193027      2.426165      2.961904
  N      -2.349859      3.352563      1.957657
  H      -2.011391      4.753430      3.805842
  H      -3.333331      3.596443      1.807331
  H      -1.972720      3.061027      1.051341
91
Coordinates from ORCA-job orca E -6562.684108259255
  N      -1.625917      0.621382      5.402999
  Mo     -2.773196      2.104222      4.684836
  N      -4.558543      2.448413      5.571879
  C      -4.554602      3.011654      6.928612
  C      -3.345874      2.519330      7.716511
  N      -2.111680      2.811667      6.939140
  C      -0.970142      1.943223      7.318258
  C      -1.183348      0.543176      6.790337
  C      -1.723707      4.243122      7.046326
  C      -1.326567      4.771433      5.681054
  N      -2.415031      4.484634      4.718778
  H      -0.232036     -0.014856      6.859165
  H      -1.919528     -0.006404      7.409323
  H      -0.072207      2.374256      6.852788
  H      -0.828292      1.943031      8.413363
  H      -1.101797      5.850745      5.723304
  H      -0.428071      4.252422      5.317174
  H      -2.571570      4.809012      7.454507
  H      -0.892472      4.361963      7.758630
  H      -5.471076      2.728191      7.469424
  H      -4.548790      4.113977      6.891434
  H      -3.428611      1.432851      7.835403
  H      -3.291200      2.987829      8.715762
  C      -3.391235     -7.002475      3.416473
  C      -2.692327     -5.692046      3.669100
  O      -1.630364     -5.629943      4.276740
  C      -3.349716     -4.428910      3.184908
  C      -4.440466     -4.418979      2.301139
  C      -5.026477     -3.217017      1.910479
  C      -4.545352     -2.025531      2.433456
  F      -5.138337     -0.886679      2.036156
  C      -3.460109     -1.985115      3.341324
  C      -2.993413     -0.758719      3.973855
  O      -3.649979      0.310907      3.894270
  C      -1.725116     -0.683976      4.772602
  C      -2.868761     -3.217191      3.675699
  C      -5.252885     12.552051      2.919956
  C      -4.335160     11.354820      2.942333
  O      -3.205809     11.404286      2.469566
  C      -4.840246     10.074778      3.548796
  C      -6.081252      9.977305      4.200497
  C      -6.496834      8.771404      4.758961
  C      -5.661322      7.666403      4.664654
  F      -6.100251      6.502617      5.206168
  C      -4.414288      7.710902      4.017740
  C      -3.459657      6.570512      3.899189
  O      -2.562279      6.593016      3.064120
  C      -3.572005      5.382091      4.853478
  C      -4.031269      8.939657      3.462278
  C      -7.480016     -5.708086      4.523256
  C      -6.615400     -4.588839      5.051323
  O      -5.536771     -4.820758      5.589259
  C      -7.092309     -3.178554      4.884488
  C      -8.276452     -2.854392      4.200296
  C      -8.659790     -1.526263      4.042642
  C      -7.846038     -0.524345      4.559562
  F      -8.255205      0.755020      4.390472
  C      -6.658873     -0.795746      5.258358
  C      -5.708628      0.226460      5.816475
  O      -4.897527     -0.111730      6.670035
  C      -5.731474      1.653800      5.260462
  C      -6.314579     -2.144695      5.412522
  H      -2.797535     -7.818187      3.841269
  H      -4.390212     -6.989760      3.879104
  H      -3.531410     -7.174313      2.338240
  H      -4.839488     -5.353739      1.907124
  H      -5.863522     -3.187674      1.212891
  H      -0.869705     -0.896901      4.097828
  H      -1.725992     -1.493895      5.524946
  H      -2.027805     -3.258079      4.368219
  H      -5.594181     12.809897      3.933785
  H      -6.151895     12.336826      2.321271
  H      -4.720829     13.404606      2.485552
  H      -6.734499     10.846436      4.279845
  H      -7.458085      8.673581      5.263613
  H      -3.666658      5.765196      5.878020
  H      -4.499504      4.823381      4.650022
  H      -3.069785      9.011438      2.952032
  H      -8.486346     -5.674561      4.967256
  H      -7.010095     -6.669031      4.757388
  H      -7.608253     -5.618488      3.432914
  H      -8.908353     -3.637964      3.781888
  H      -9.579880     -1.252744      3.526014
  H      -6.642900      2.127538      5.674566
  H      -5.898663      1.609418      4.174678
  H      -5.398932     -2.392733      5.950591
  N      -2.223351      2.447628      2.994352
  N      -2.464612      3.362359      2.014721
  H      -2.011009      4.779949      3.793310
  H      -3.458740      3.597211      1.903201
  H      -2.088430      3.066553      1.107378
91
Coordinates from ORCA-job orca E -6562.680973586474
  N      -1.607495      0.621997      5.379935
  Mo     -2.765826      2.087440      4.640702
  N      -4.544497      2.441441      5.540539
  C      -4.547223      3.010299      6.899322
  C      -3.339099      2.527883      7.698567
  N      -2.103054      2.822536      6.929381
  C      -0.960167      1.955358      7.306953
  C      -1.166489      0.556119      6.772360
  C      -1.719033      4.252742      7.052603
  C      -1.304275      4.800908      5.706181
  N      -2.368180      4.535148      4.702996
  H      -0.213534      0.001557      6.847583
  H      -1.903240      0.002687      7.387147
  H      -0.062222      2.391086      6.846025
  H      -0.820905      1.950464      8.402403
  H      -1.072815      5.877461      5.777926
  H      -0.398980      4.286924      5.352343
  H      -2.570883      4.814947      7.458170
  H      -0.896037      4.363362      7.775599
  H      -5.463814      2.722220      7.437772
  H      -4.552445      4.113951      6.862883
  H      -3.415258      1.441463      7.820482
  H      -3.293297      2.998902      8.697107
  C      -3.369674     -7.027546      3.464214
  C      -2.655498     -5.722649      3.696678
  O      -1.593417     -5.661241      4.304281
  C      -3.309592     -4.462372      3.203983
  C      -4.406814     -4.458301      2.328536
  C      -4.998354     -3.260517      1.935967
  C      -4.513322     -2.066065      2.447861
  F      -5.120678     -0.929506      2.065503
  C      -3.422251     -2.021115      3.347215
  C      -2.958867     -0.790326      3.971343
  O      -3.617952      0.276242      3.880902
  C      -1.691505     -0.697882      4.770969
  C      -2.823973     -3.248562      3.682955
  C      -5.318969     12.585750      2.983966
  C      -4.375985     11.408176      2.999166
  O      -3.238289     11.492225      2.552660
  C      -4.860203     10.109713      3.583791
  C      -6.108201      9.976783      4.216428
  C      -6.505702      8.755327      4.754313
  C      -5.645667      7.669984      4.657033
  F      -6.057165      6.491925      5.189375
  C      -4.392804      7.749885      4.025892
  C      -3.418462      6.628307      3.904663
  O      -2.504595      6.674865      3.088371
  C      -3.536960      5.425077      4.833961
  C      -4.026514      8.993166      3.493280
  C      -7.568629     -5.686032      4.504566
  C      -6.692170     -4.586550      5.053145
  O      -5.621835     -4.841787      5.597742
  C      -7.144921     -3.166868      4.889435
  C      -8.318732     -2.824020      4.196333
  C      -8.678801     -1.490400      4.032102
  C      -7.852216     -0.500667      4.550815
  F      -8.236185      0.785688      4.374753
  C      -6.673943     -0.789444      5.256699
  C      -5.715001      0.224375      5.811938
  O      -4.908680     -0.116462      6.669408
  C      -5.724555      1.648779      5.242126
  C      -6.353430     -2.143886      5.420434
  H      -2.786047     -7.844508      3.900342
  H      -4.367015     -6.990863      3.931387
  H      -3.515728     -7.213529      2.389398
  H      -4.812604     -5.396177      1.949083
  H      -5.845798     -3.236851      1.250867
  H      -0.834293     -0.915582      4.099657
  H      -1.685930     -1.494917      5.536975
  H      -1.982151     -3.285802      4.374318
  H      -5.681647     12.821474      3.996145
  H      -6.203098     12.357961      2.369078
  H      -4.800363     13.456406      2.569733
  H      -6.780944     10.830403      4.298237
  H      -7.470250      8.631064      5.246482
  H      -3.661996      5.785647      5.864125
  H      -4.453405      4.862874      4.588549
  H      -3.060005      9.091001      2.997206
  H      -8.578082     -5.642001      4.940018
  H      -7.114937     -6.656556      4.730994
  H      -7.684350     -5.581049      3.414393
  H      -8.959145     -3.597636      3.772749
  H      -9.589822     -1.202616      3.507268
  H      -6.630269      2.132712      5.656347
  H      -5.901459      1.594360      4.157368
  H      -5.446192     -2.404301      5.966558
  N      -2.217472      2.399632      2.935478
  N      -2.440963      3.273962      1.907799
  H      -2.056090      4.626114      3.638622
  H      -3.430783      3.510252      1.774353
  H      -2.052782      2.932816      1.022800
91
Coordinates from ORCA-job orca E -6562.687216201518
  N      -1.573940      0.620664      5.348882
  Mo     -2.738595      2.097190      4.632914
  N      -4.531865      2.411464      5.539484
  C      -4.533725      2.953399      6.916025
  C      -3.308586      2.482961      7.699158
  N      -2.076838      2.809119      6.926128
  C      -0.917580      1.952819      7.284681
  C      -1.113171      0.551888      6.739255
  C      -1.714792      4.248065      7.043796
  C      -1.321196      4.812331      5.687326
  N      -2.397947      4.536673      4.701455
  H      -0.150311      0.012695      6.798461
  H      -1.831991     -0.017059      7.360867
  H      -0.030859      2.403679      6.816578
  H      -0.764134      1.940935      8.378054
  H      -1.111233      5.892928      5.761629
  H      -0.411920      4.316601      5.317816
  H      -2.575198      4.793538      7.453491
  H      -0.891085      4.373690      7.763691
  H      -5.439934      2.636241      7.455628
  H      -4.559708      4.056958      6.898778
  H      -3.366504      1.393248      7.803704
  H      -3.264887      2.939402      8.704441
  C      -3.374593     -7.040808      3.527445
  C      -2.664577     -5.730841      3.748280
  O      -1.600631     -5.662495      4.351772
  C      -3.311575     -4.474979      3.232456
  C      -4.397734     -4.477057      2.343364
  C      -4.974323     -3.280023      1.924275
  C      -4.488109     -2.081129      2.425258
  F      -5.074042     -0.946346      2.006437
  C      -3.406851     -2.029204      3.335874
  C      -2.936464     -0.791365      3.942646
  O      -3.596818      0.276283      3.850212
  C      -1.659515     -0.697940      4.729684
  C      -2.824547     -3.256220      3.699408
  C      -5.330299     12.597040      2.976830
  C      -4.401718     11.407833      2.972003
  O      -3.283852     11.469915      2.474685
  C      -4.883518     10.118938      3.579160
  C      -6.123323      9.999412      4.230098
  C      -6.517117      8.786457      4.789103
  C      -5.660375      7.697371      4.698925
  F      -6.078152      6.527055      5.242580
  C      -4.414615      7.763693      4.052067
  C      -3.443790      6.638769      3.925753
  O      -2.521023      6.695999      3.119626
  C      -3.566121      5.426298      4.844081
  C      -4.054832      8.998316      3.493689
  C      -7.664789     -5.697776      4.558973
  C      -6.763160     -4.600875      5.072816
  O      -5.701368     -4.862052      5.630618
  C      -7.186740     -3.177221      4.874071
  C      -8.342579     -2.825192      4.154786
  C      -8.673885     -1.487758      3.961384
  C      -7.839323     -0.505655      4.483650
  F      -8.194922      0.784668      4.280559
  C      -6.680745     -0.804636      5.216798
  C      -5.715102      0.199973      5.777513
  O      -4.929600     -0.143783      6.652664
  C      -5.711650      1.626544      5.214751
  C      -6.386520     -2.161429      5.403436
  H      -2.786679     -7.851512      3.969591
  H      -4.371261     -7.006100      3.994541
  H      -3.520707     -7.237787      2.454369
  H      -4.801216     -5.417643      1.967754
  H      -5.807675     -3.259688      1.221920
  H      -0.808998     -0.906915      4.047708
  H      -1.641163     -1.499816      5.490039
  H      -1.986673     -3.288105      4.396065
  H      -5.647003     12.848647      4.000083
  H      -6.243043     12.376394      2.401122
  H      -4.817341     13.455506      2.531306
  H      -6.792902     10.856219      4.307246
  H      -7.477062      8.671038      5.292491
  H      -3.682657      5.778623      5.878243
  H      -4.485810      4.867970      4.607164
  H      -3.094227      9.086618      2.984150
  H      -8.675160     -5.613620      4.986697
  H      -7.236350     -6.670623      4.821788
  H      -7.773259     -5.628979      3.465063
  H      -8.991879     -3.594483      3.736661
  H      -9.568938     -1.191435      3.414257
  H      -6.626065      2.117892      5.602166
  H      -5.855764      1.571319      4.125907
  H      -5.493182     -2.429511      5.968363
  N      -2.183880      2.464405      2.944066
  N      -2.392566      3.380580      1.965323
  H      -1.976842      4.722620      3.764737
  H      -3.378849      3.624336      1.820423
  H      -1.970851      3.100097      1.074894
91
Coordinates from ORCA-job orca E -6562.685655847198
  N      -1.609646      0.616188      5.407734
  Mo     -2.759081      2.102397      4.721577
  N      -4.521841      2.457252      5.631297
  C      -4.507493      2.992214      6.990864
  C      -3.292194      2.486214      7.757489
  N      -2.071551      2.788648      6.972816
  C      -0.922117      1.922893      7.317583
  C      -1.141078      0.529222      6.782565
  C      -1.695365      4.217235      7.089391
  C      -1.293575      4.752535      5.732951
  N      -2.370086      4.469109      4.760684
  H      -0.188104     -0.027710      6.831992
  H      -1.864989     -0.027398      7.409298
  H      -0.035722      2.362151      6.837769
  H      -0.755324      1.909872      8.409097
  H      -1.067960      5.830989      5.787263
  H      -0.390982      4.238406      5.372321
  H      -2.548993      4.777285      7.494545
  H      -0.868305      4.339341      7.806566
  H      -5.417556      2.694594      7.534120
  H      -4.507672      4.098045      6.976976
  H      -3.373200      1.398030      7.863929
  H      -3.227534      2.941300      8.762027
  C      -3.420829     -6.996442      3.397995
  C      -2.727245     -5.687955      3.674973
  O      -1.671311     -5.631863      4.293596
  C      -3.386469     -4.419739      3.206835
  C      -4.480636     -4.401484      2.327356
  C      -5.069423     -3.197268      1.950842
  C      -4.584500     -2.010168      2.480551
  F      -5.184406     -0.868513      2.102966
  C      -3.495422     -1.978226      3.383664
  C      -3.016499     -0.753080      4.012533
  O      -3.666151      0.316555      3.941345
  C      -1.729561     -0.684614      4.780183
  C      -2.902983     -3.212575      3.706540
  C      -5.386812     12.450636      2.792368
  C      -4.443388     11.273589      2.818931
  O      -3.327230     11.335366      2.317694
  C      -4.897133     10.006638      3.490528
  C      -6.122268      9.901466      4.170895
  C      -6.491537      8.709483      4.788340
  C      -5.626459      7.625595      4.723456
  F      -6.014158      6.479670      5.338298
  C      -4.395664      7.676526      4.045216
  C      -3.416489      6.554518      3.937295
  O      -2.518115      6.589460      3.105089
  C      -3.525080      5.359676      4.882256
  C      -4.059242      8.891329      3.432741
  C      -7.457168     -5.625046      4.378949
  C      -6.613102     -4.519941      4.965827
  O      -5.538373     -4.761348      5.507348
  C      -7.099119     -3.108240      4.843443
  C      -8.277696     -2.768036      4.157566
  C      -8.661224     -1.436901      4.030152
  C      -7.852518     -0.447179      4.576568
  F      -8.264695      0.835632      4.438451
  C      -6.668155     -0.735248      5.275217
  C      -5.717843      0.271549      5.858452
  O      -4.907689     -0.085696      6.705235
  C      -5.708632      1.699578      5.304421
  C      -6.327402     -2.087439      5.404149
  H      -2.829906     -7.816555      3.818083
  H      -4.424367     -6.991797      3.850663
  H      -3.550043     -7.154117      2.316410
  H      -4.884308     -5.333006      1.930654
  H      -5.912160     -3.162116      1.260469
  H      -0.896257     -0.896060      4.077700
  H      -1.706538     -1.495321      5.530350
  H      -2.060081     -3.261211      4.396117
  H      -5.696577     12.740436      3.807997
  H      -6.301658     12.190648      2.237645
  H      -4.891985     13.297670      2.306300
  H      -6.799294     10.753903      4.227452
  H      -7.438178      8.607387      5.318958
  H      -3.637013      5.722908      5.912398
  H      -4.445609      4.796936      4.654351
  H      -3.110875      8.966614      2.899173
  H      -8.469749     -5.623068      4.809511
  H      -6.977768     -6.589344      4.577158
  H      -7.570232     -5.488487      3.291908
  H      -8.904617     -3.541309      3.713550
  H      -9.577010     -1.150967      3.512614
  H      -6.613158      2.197752      5.704332
  H      -5.861436      1.653502      4.216564
  H      -5.415420     -2.347297      5.943170
  N      -2.230310      2.471962      3.034513
  N      -2.408834      3.388836      2.048081
  H      -2.010310      4.704158      3.815672
  H      -3.389608      3.653260      1.898331
  H      -1.996602      3.100869      1.154865
91
Coordinates from ORCA-job orca E -6562.686377749383
  N      -1.514698      0.631132      5.376536
  Mo     -2.676105      2.112335      4.704144
  N      -4.454771      2.429895      5.594057
  C      -4.464939      2.934926      6.963895
  C      -3.246829      2.433341      7.729370
  N      -2.025160      2.771994      6.961393
  C      -0.860120      1.926880      7.301565
  C      -1.048026      0.536063      6.750466
  C      -1.678507      4.204635      7.106588
  C      -1.267170      4.767953      5.766717
  N      -2.327244      4.476179      4.779381
  H      -0.083482     -0.001018      6.797128
  H      -1.761838     -0.042704      7.368805
  H       0.018973      2.389807      6.830713
  H      -0.697113      1.904509      8.393572
  H      -1.064403      5.849785      5.841068
  H      -0.350103      4.277262      5.410035
  H      -2.550191      4.741361      7.504331
  H      -0.866754      4.332326      7.840178
  H      -5.373459      2.606578      7.492018
  H      -4.487322      4.041049      6.976683
  H      -3.311163      1.342465      7.812683
  H      -3.197413      2.868418      8.743811
  C      -3.431302     -6.965911      3.485331
  C      -2.686714     -5.676411      3.711065
  O      -1.637659     -5.634589      4.342340
  C      -3.296382     -4.405417      3.188953
  C      -4.365488     -4.383397      2.279390
  C      -4.923467     -3.175958      1.868040
  C      -4.437593     -1.989451      2.397932
  F      -5.015954     -0.844184      1.997136
  C      -3.371035     -1.961652      3.327114
  C      -2.901004     -0.736247      3.960783
  O      -3.560256      0.326173      3.892407
  C      -1.617769     -0.662446      4.732989
  C      -2.803044     -3.198885      3.679067
  C      -5.537479     12.394137      2.817133
  C      -4.564845     11.240953      2.836044
  O      -3.461480     11.324506      2.310322
  C      -4.980297      9.964202      3.513886
  C      -6.203949      9.824086      4.191054
  C      -6.536834      8.624752      4.814838
  C      -5.637018      7.568965      4.760167
  F      -5.990172      6.414806      5.380375
  C      -4.406254      7.654982      4.086032
  C      -3.394919      6.561657      3.983410
  O      -2.470500      6.639029      3.183027
  C      -3.500555      5.345299      4.898510
  C      -4.106994      8.876079      3.466537
  C      -7.807316     -5.579401      4.539585
  C      -6.885744     -4.513117      5.079878
  O      -5.841812     -4.808782      5.653746
  C      -7.261670     -3.076591      4.877288
  C      -8.393366     -2.687994      4.139936
  C      -8.675317     -1.341151      3.935942
  C      -7.815254     -0.385551      4.463810
  F      -8.125329      0.915254      4.250286
  C      -6.676538     -0.720446      5.213359
  C      -5.686261      0.252816      5.786437
  O      -4.926868     -0.111400      6.676159
  C      -5.634726      1.679815      5.226141
  C      -6.433839     -2.085768      5.413010
  H      -2.876896     -7.790806      3.943974
  H      -4.435762     -6.898605      3.932233
  H      -3.562675     -7.164362      2.410765
  H      -4.776182     -5.314678      1.889308
  H      -5.747756     -3.137739      1.155932
  H      -0.782276     -0.853743      4.027024
  H      -1.583381     -1.482934      5.472008
  H      -1.983331     -3.251207      4.395615
  H      -5.834789     12.686066      3.835917
  H      -6.456081     12.106157      2.282990
  H      -5.073430     13.248391      2.313701
  H      -6.908566     10.654355      4.239441
  H      -7.481640      8.495454      5.342697
  H      -3.640644      5.680276      5.934712
  H      -4.406823      4.772387      4.638999
  H      -3.159530      8.977867      2.935851
  H      -8.822800     -5.472363      4.949331
  H      -7.410087     -6.565896      4.800465
  H      -7.892451     -5.496434      3.444635
  H      -9.062464     -3.436105      3.714809
  H      -9.551719     -1.017006      3.374684
  H      -6.549111      2.191713      5.584917
  H      -5.745476      1.626974      4.133211
  H      -5.559637     -2.381549      5.994045
  N      -2.134328      2.503832      3.027835
  N      -2.294342      3.418857      2.041398
  H      -1.953828      4.693824      3.820120
  H      -3.271575      3.677733      1.863957
  H      -1.844483      3.156859      1.158941
91
Coordinates from ORCA-job orca E -6562.687272597051
  N      -1.490236      0.628199      5.372562
  Mo     -2.665184      2.109497      4.714736
  N      -4.441146      2.418657      5.627524
  C      -4.434379      2.901125      7.013857
  C      -3.188130      2.417204      7.748178
  N      -1.982032      2.776364      6.957244
  C      -0.799523      1.944853      7.278694
  C      -0.985841      0.547314      6.738222
  C      -1.641811      4.214587      7.094124
  C      -1.250454      4.787706      5.747963
  N      -2.326343      4.491851      4.776014
  H      -0.012441      0.023946      6.765714
  H      -1.675984     -0.037351      7.378456
  H       0.063993      2.414042      6.785843
  H      -0.611288      1.931318      8.366982
  H      -1.055012      5.870865      5.826253
  H      -0.335032      4.306199      5.375078
  H      -2.513763      4.744640      7.498563
  H      -0.826266      4.348374      7.822243
  H      -5.322948      2.541796      7.556595
  H      -4.483890      4.005279      7.048958
  H      -3.235613      1.324837      7.821689
  H      -3.123636      2.843000      8.766153
  C      -3.400396     -7.006206      3.546428
  C      -2.689482     -5.703290      3.800413
  O      -1.626385     -5.650354      4.407059
  C      -3.324657     -4.438497      3.293669
  C      -4.410377     -4.425218      2.404075
  C      -4.974398     -3.220971      1.990293
  C      -4.475161     -2.029606      2.496557
  F      -5.048106     -0.886314      2.082252
  C      -3.391908     -1.993351      3.404769
  C      -2.899712     -0.757852      4.002936
  O      -3.559278      0.306310      3.934146
  C      -1.596051     -0.673482      4.738408
  C      -2.823966     -3.227317      3.765444
  C      -5.605101     12.384408      2.778779
  C      -4.634172     11.229475      2.776235
  O      -3.563568     11.293455      2.184345
  C      -5.018614      9.969293      3.501876
  C      -6.219576      9.840891      4.221044
  C      -6.524724      8.656609      4.886230
  C      -5.619570      7.604925      4.832384
  F      -5.948388      6.464980      5.490320
  C      -4.410701      7.679756      4.119684
  C      -3.398661      6.588844      4.011776
  O      -2.468094      6.672509      3.217263
  C      -3.504951      5.367662      4.916663
  C      -4.139890      8.885626      3.457450
  C      -7.848622     -5.539413      4.369419
  C      -6.910976     -4.494257      4.924745
  O      -5.869345     -4.813622      5.490448
  C      -7.278033     -3.049681      4.763009
  C      -8.405825     -2.635234      4.032713
  C      -8.682357     -1.281719      3.868102
  C      -7.823142     -0.345881      4.432664
  F      -8.124936      0.962060      4.255295
  C      -6.691611     -0.706782      5.179709
  C      -5.702520      0.248365      5.783428
  O      -4.937524     -0.147361      6.654827
  C      -5.632385      1.686269      5.249377
  C      -6.450652     -2.078529      5.334247
  H      -2.819232     -7.827314      3.978093
  H      -4.401526     -6.976665      4.004891
  H      -3.537182     -7.181336      2.468392
  H      -4.823153     -5.359974      2.024058
  H      -5.806454     -3.188132      1.286860
  H      -0.778768     -0.865188      4.010611
  H      -1.534973     -1.488844      5.481512
  H      -1.986099     -3.272629      4.461058
  H      -5.839095     12.705431      3.805127
  H      -6.555749     12.086838      2.309268
  H      -5.170095     13.221919      2.223993
  H      -6.928042     10.668028      4.268355
  H      -7.452091      8.535272      5.446032
  H      -3.638356      5.696758      5.955637
  H      -4.415985      4.800385      4.662252
  H      -3.209825      8.978391      2.895019
  H      -8.861199     -5.425644      4.784522
  H      -7.463331     -6.535465      4.611206
  H      -7.936467     -5.436508      3.276444
  H      -9.076044     -3.368322      3.583807
  H      -9.553492     -0.937146      3.310772
  H      -6.543899      2.206801      5.604641
  H      -5.734498      1.645724      4.154924
  H      -5.578604     -2.393845      5.907974
  N      -2.142781      2.481220      3.025938
  N      -2.300482      3.375575      2.029909
  H      -1.933675      4.638162      3.811557
  H      -3.273334      3.638512      1.839934
  H      -1.827695      3.112451      1.161196
91
Coordinates from ORCA-job orca E -6562.688362943994
  N      -1.470355      0.620012      5.370738
  Mo     -2.644607      2.114148      4.737936
  N      -4.414509      2.424243      5.664054
  C      -4.402436      2.878283      7.059227
  C      -3.151252      2.379994      7.776323
  N      -1.950872      2.752106      6.983412
  C      -0.761449      1.920817      7.284755
  C      -0.945621      0.527719      6.729256
  C      -1.619156      4.190469      7.141035
  C      -1.226403      4.783393      5.804563
  N      -2.297833      4.492767      4.825019
  H       0.031510      0.010610      6.738911
  H      -1.622798     -0.069124      7.372292
  H       0.095154      2.399368      6.788942
  H      -0.562145      1.896146      8.370863
  H      -1.037264      5.866200      5.898063
  H      -0.306567      4.313109      5.428283
  H      -2.497593      4.709953      7.545812
  H      -0.809687      4.320052      7.876686
  H      -5.285269      2.501346      7.598999
  H      -4.458236      3.982654      7.120354
  H      -3.199750      1.286148      7.830394
  H      -3.078647      2.787030      8.801258
  C      -3.454885     -7.001587      3.511286
  C      -2.738926     -5.704610      3.782916
  O      -1.695194     -5.660907      4.423230
  C      -3.362943     -4.430238      3.285078
  C      -4.439621     -4.400574      2.384929
  C      -4.986984     -3.188325      1.972470
  C      -4.479415     -2.004835      2.488950
  F      -5.033830     -0.853094      2.071925
  C      -3.404639     -1.984400      3.407908
  C      -2.899929     -0.753699      4.008732
  O      -3.553669      0.314924      3.949669
  C      -1.585429     -0.676870      4.726220
  C      -2.855069     -3.226551      3.769719
  C      -5.701919     12.303720      2.670737
  C      -4.722143     11.156283      2.667843
  O      -3.667554     11.215194      2.047381
  C      -5.065743      9.920224      3.453214
  C      -6.253898      9.795370      4.194108
  C      -6.524071      8.632644      4.910043
  C      -5.597241      7.598786      4.884924
  F      -5.891915      6.482091      5.596698
  C      -4.397841      7.671685      4.155462
  C      -3.362545      6.599981      4.075247
  O      -2.427297      6.690036      3.286761
  C      -3.476929      5.367322      4.963460
  C      -4.162948      8.856065      3.442200
  C      -7.832683     -5.497665      4.353190
  C      -6.914062     -4.449107      4.933170
  O      -5.876009     -4.763332      5.508050
  C      -7.278784     -3.005846      4.758654
  C      -8.386991     -2.593369      3.998118
  C      -8.658810     -1.240276      3.823264
  C      -7.813343     -0.303054      4.406224
  F      -8.110955      1.003930      4.215373
  C      -6.701608     -0.662617      5.184184
  C      -5.722302      0.288468      5.810669
  O      -4.960742     -0.120380      6.679170
  C      -5.618240      1.722235      5.272294
  C      -6.466206     -2.033872      5.348220
  H      -2.887823     -7.828413      3.950759
  H      -4.464621     -6.967823      3.949576
  H      -3.571667     -7.171660      2.430314
  H      -4.857978     -5.328656      1.995196
  H      -5.811191     -3.142894      1.260585
  H      -0.780798     -0.860438      3.981863
  H      -1.509563     -1.499564      5.459531
  H      -2.023602     -3.284743      4.471964
  H      -5.898586     12.656165      3.694958
  H      -6.667327     11.984263      2.248782
  H      -5.295873     13.125837      2.072679
  H      -6.980164     10.607938      4.217232
  H      -7.440794      8.514155      5.487684
  H      -3.622831      5.678988      6.006050
  H      -4.384448      4.802148      4.691991
  H      -3.242267      8.946023      2.864219
  H      -8.855347     -5.389758      4.744168
  H      -7.447745     -6.492140      4.601772
  H      -7.894732     -5.393015      3.258515
  H      -9.045512     -3.327567      3.534066
  H      -9.514708     -0.896837      3.242131
  H      -6.522993      2.264203      5.611325
  H      -5.703354      1.678018      4.176559
  H      -5.607541     -2.347835      5.942838
  N      -2.134299      2.494980      3.048171
  N      -2.282775      3.385453      2.046817
  H      -1.911424      4.685071      3.877456
  H      -3.251572      3.648531      1.837690
  H      -1.782262      3.133634      1.190352
91
Coordinates from ORCA-job orca E -6562.690617613197
  N      -1.474758      0.615528      5.342452
  Mo     -2.657167      2.122292      4.732263
  N      -4.422203      2.417553      5.688535
  C      -4.407960      2.849332      7.095889
  C      -3.151071      2.345131      7.802557
  N      -1.952730      2.732768      7.010931
  C      -0.756035      1.896751      7.288207
  C      -0.933872      0.510368      6.700677
  C      -1.633348      4.174336      7.190998
  C      -1.237990      4.798044      5.865092
  N      -2.298817      4.520570      4.866164
  H       0.048287      0.003063      6.693580
  H      -1.598599     -0.105647      7.338576
  H       0.095161      2.389586      6.797153
  H      -0.549523      1.851410      8.372061
  H      -1.058372      5.879783      5.982241
  H      -0.310650      4.345033      5.485689
  H      -2.521545      4.678835      7.594617
  H      -0.833123      4.299179      7.937509
  H      -5.282627      2.449132      7.631365
  H      -4.478211      3.952807      7.178826
  H      -3.197444      1.249503      7.838177
  H      -3.075531      2.734830      8.833568
  C      -3.538936     -7.009802      3.483958
  C      -2.822908     -5.717971      3.781100
  O      -1.794434     -5.684233      4.446579
  C      -3.426213     -4.435920      3.275726
  C      -4.494013     -4.394432      2.365828
  C      -5.022717     -3.176330      1.946241
  C      -4.502715     -1.998125      2.462412
  F      -5.039610     -0.840333      2.038732
  C      -3.433949     -1.988794      3.388962
  C      -2.917231     -0.760298      3.986794
  O      -3.567756      0.313096      3.934596
  C      -1.590732     -0.682692      4.688906
  C      -2.905109     -3.237059      3.760577
  C      -5.701690     12.295959      2.577193
  C      -4.732244     11.139636      2.579470
  O      -3.693139     11.172513      1.931688
  C      -5.061977      9.932225      3.414034
  C      -6.240150      9.833025      4.174481
  C      -6.501014      8.694546      4.930970
  C      -5.575519      7.658733      4.926659
  F      -5.865116      6.567942      5.679135
  C      -4.383365      7.707471      4.182115
  C      -3.345098      6.636431      4.122312
  O      -2.394661      6.731258      3.351890
  C      -3.476150      5.394842      4.997266
  C      -4.158567      8.869110      3.428348
  C      -7.703967     -5.525800      4.352389
  C      -6.822670     -4.453995      4.947618
  O      -5.784789     -4.740630      5.536954
  C      -7.222151     -3.020591      4.771854
  C      -8.327717     -2.632526      3.994702
  C      -8.626171     -1.285561      3.815798
  C      -7.808118     -0.330322      4.409302
  F      -8.129945      0.969635      4.209823
  C      -6.700573     -0.666542      5.204478
  C      -5.739930      0.299016      5.838855
  O      -4.983513     -0.100159      6.716381
  C      -5.637154      1.731799      5.299240
  C      -6.440443     -2.032156      5.373815
  H      -2.987337     -7.842321      3.932401
  H      -4.559205     -6.973731      3.896562
  H      -3.629321     -7.173064      2.399455
  H      -4.923478     -5.317924      1.977513
  H      -5.842580     -3.122358      1.229958
  H      -0.797098     -0.855326      3.930107
  H      -1.495405     -1.509699      5.414390
  H      -2.082454     -3.304343      4.472550
  H      -5.858174     12.681238      3.596677
  H      -6.684736     11.975565      2.199052
  H      -5.308520     13.094580      1.939969
  H      -6.965630     10.646608      4.179952
  H      -7.409718      8.595470      5.524808
  H      -3.636213      5.689831      6.042221
  H      -4.380151      4.833846      4.707846
  H      -3.244951      8.939902      2.836588
  H      -8.735716     -5.444367      4.725522
  H      -7.297026     -6.509883      4.607177
  H      -7.749392     -5.422795      3.256632
  H      -8.962132     -3.380856      3.519769
  H      -9.480005     -0.960406      3.221193
  H      -6.538457      2.281249      5.634232
  H      -5.717462      1.683157      4.203332
  H      -5.581215     -2.326883      5.977745
  N      -2.164969      2.534699      3.042267
  N      -2.306560      3.431536      2.041008
  H      -1.916190      4.753743      3.946948
  H      -3.269963      3.694757      1.809293
  H      -1.768557      3.189876      1.204635
91
Coordinates from ORCA-job orca E -6562.690467709034
  N      -1.432162      0.625428      5.340959
  Mo     -2.612183      2.126276      4.723301
  N      -4.379483      2.415557      5.664066
  C      -4.375302      2.836316      7.068757
  C      -3.118588      2.338940      7.776082
  N      -1.923504      2.737253      6.990549
  C      -0.724316      1.913329      7.272365
  C      -0.892849      0.526154      6.693997
  C      -1.615199      4.177591      7.169655
  C      -1.221366      4.796154      5.844003
  N      -2.279287      4.504605      4.851336
  H       0.092202      0.025103      6.687302
  H      -1.554145     -0.090798      7.333968
  H       0.124638      2.410082      6.781254
  H      -0.520491      1.872839      8.356776
  H      -1.051395      5.880058      5.955732
  H      -0.290804      4.348263      5.466561
  H      -2.508277      4.676546      7.569229
  H      -0.817198      4.310615      7.917192
  H      -5.249358      2.426415      7.597354
  H      -4.453689      3.938010      7.155957
  H      -3.156581      1.243389      7.808962
  H      -3.049386      2.726980      8.808074
  C      -3.524919     -7.001406      3.567317
  C      -2.809818     -5.708827      3.863048
  O      -1.774314     -5.675154      4.517232
  C      -3.398076     -4.431020      3.330501
  C      -4.457780     -4.397373      2.410879
  C      -4.976050     -3.182967      1.968317
  C      -4.453831     -2.000008      2.470868
  F      -4.978992     -0.846006      2.023434
  C      -3.391989     -1.982855      3.405342
  C      -2.874541     -0.749914      3.991012
  O      -3.522773      0.320572      3.925981
  C      -1.549713     -0.669790      4.693502
  C      -2.873066     -3.228065      3.799957
  C      -5.775611     12.258853      2.645711
  C      -4.797052     11.110443      2.624983
  O      -3.773698     11.151975      1.953099
  C      -5.111058      9.888822      3.444682
  C      -6.285221      9.767060      4.208305
  C      -6.530454      8.616471      4.951647
  C      -5.592946      7.591845      4.931860
  F      -5.868956      6.485759      5.667194
  C      -4.404278      7.663468      4.184142
  C      -3.354210      6.605106      4.111439
  O      -2.389099      6.733409      3.365234
  C      -3.464190      5.360893      4.986033
  C      -4.195426      8.836071      3.443182
  C      -7.884440     -5.472915      4.369408
  C      -6.945779     -4.428349      4.923618
  O      -5.921800     -4.747853      5.520305
  C      -7.289191     -2.982907      4.728918
  C      -8.377873     -2.561685      3.945211
  C      -8.624171     -1.206382      3.750048
  C      -7.773619     -0.276350      4.337485
  F      -8.044633      1.033348      4.125052
  C      -6.682380     -0.645418      5.139514
  C      -5.692599      0.293210      5.767947
  O      -4.961681     -0.115170      6.662399
  C      -5.585848      1.733992      5.250987
  C      -6.472228     -2.017972      5.322551
  H      -2.973376     -7.832758      4.017810
  H      -4.545533     -6.965579      3.978841
  H      -3.614239     -7.166477      2.482869
  H      -4.888730     -5.324355      2.032472
  H      -5.789024     -3.135405      1.243819
  H      -0.756611     -0.843420      3.934999
  H      -1.453907     -1.494269      5.421523
  H      -2.057288     -3.288962      4.520398
  H      -5.920314     12.635395      3.670131
  H      -6.761341     11.933113      2.279541
  H      -5.398142     13.065415      2.008977
  H      -7.019637     10.572347      4.226737
  H      -7.436049      8.499441      5.546906
  H      -3.622651      5.651593      6.032252
  H      -4.362557      4.788812      4.699610
  H      -3.284352      8.924600      2.849966
  H      -8.907846     -5.328744      4.746586
  H      -7.524786     -6.467589      4.652704
  H      -7.933657     -5.402066      3.271325
  H      -9.039629     -3.290558      3.477387
  H      -9.463534     -0.855741      3.149438
  H      -6.492145      2.278543      5.580743
  H      -5.651570      1.699287      4.153509
  H      -5.627209     -2.338028      5.933377
  N      -2.112782      2.541785      3.038777
  N      -2.248747      3.438154      2.038242
  H      -1.912940      4.737010      3.914484
  H      -3.212191      3.683416      1.789545
  H      -1.689085      3.222286      1.209369
91
Coordinates from ORCA-job orca E -6562.690853499691
  N      -1.415631      0.621859      5.331621
  Mo     -2.598262      2.121759      4.706745
  N      -4.364761      2.414156      5.655218
  C      -4.361795      2.841020      7.059653
  C      -3.107114      2.344972      7.773949
  N      -1.908883      2.740200      6.991191
  C      -0.711961      1.912745      7.270086
  C      -0.881101      0.525570      6.688490
  C      -1.600416      4.180025      7.171686
  C      -1.203665      4.805455      5.850714
  N      -2.259639      4.522631      4.853392
  H       0.103381      0.023393      6.684954
  H      -1.545360     -0.090171      7.326584
  H       0.138125      2.409992      6.781183
  H      -0.509028      1.868089      8.354503
  H      -1.033628      5.888724      5.969141
  H      -0.272802      4.359491      5.471929
  H      -2.494192      4.677366      7.570996
  H      -0.803576      4.311487      7.920948
  H      -5.238119      2.435016      7.587546
  H      -4.438599      3.942893      7.141008
  H      -3.146791      1.249746      7.810628
  H      -3.040847      2.736714      8.804785
  C      -3.519294     -7.009783      3.612684
  C      -2.792499     -5.720155      3.888474
  O      -1.764425     -5.683450      4.553995
  C      -3.375138     -4.446492      3.342247
  C      -4.434447     -4.419019      2.421825
  C      -4.953588     -3.207681      1.972024
  C      -4.433614     -2.021659      2.469326
  F      -4.964479     -0.870829      2.020143
  C      -3.370885     -1.999004      3.402878
  C      -2.856419     -0.763485      3.984073
  O      -3.507840      0.305191      3.911585
  C      -1.532178     -0.677608      4.688903
  C      -2.849896     -3.241091      3.803501
  C      -5.815897     12.255629      2.655209
  C      -4.826604     11.116463      2.636204
  O      -3.799534     11.169888      1.970697
  C      -5.129361      9.892909      3.457121
  C      -6.303324      9.759898      4.218992
  C      -6.537534      8.607890      4.963808
  C      -5.589338      7.593060      4.946975
  F      -5.854786      6.485012      5.683303
  C      -4.400417      7.676185      4.201169
  C      -3.339352      6.629094      4.133277
  O      -2.378359      6.760941      3.382580
  C      -3.446835      5.377225      4.996873
  C      -4.202778      8.849747      3.458551
  C      -7.941995     -5.451884      4.345694
  C      -6.995630     -4.422393      4.914605
  O      -5.976301     -4.759273      5.509996
  C      -7.316584     -2.971803      4.715682
  C      -8.397222     -2.539301      3.927230
  C      -8.626226     -1.181891      3.726976
  C      -7.767312     -0.260430      4.315211
  F      -8.021874      1.051548      4.097849
  C      -6.683380     -0.639169      5.122319
  C      -5.691773      0.294030      5.757946
  O      -4.951551     -0.125626      6.639402
  C      -5.576511      1.736244      5.243370
  C      -6.488648     -2.014494      5.308348
  H      -2.978099     -7.838687      4.079917
  H      -4.541212     -6.954962      4.020352
  H      -3.606295     -7.192517      2.530720
  H      -4.865095     -5.348605      2.049385
  H      -5.767375     -3.164830      1.248116
  H      -0.738936     -0.852603      3.930850
  H      -1.434798     -1.498714      5.420391
  H      -2.035085     -3.297123      4.525476
  H      -5.967499     12.629135      3.679626
  H      -6.797458     11.921102      2.285404
  H      -5.443834     13.066642      2.020952
  H      -7.046177     10.557516      4.235218
  H      -7.442702      8.482317      5.557972
  H      -3.604699      5.659743      6.045893
  H      -4.345867      4.807103      4.707421
  H      -3.291473      8.947075      2.867050
  H      -8.966517     -5.298282      4.716040
  H      -7.596524     -6.452790      4.624816
  H      -7.981990     -5.372627      3.247785
  H      -9.066660     -3.261443      3.459626
  H      -9.459554     -0.823092      3.122773
  H      -6.479194      2.283815      5.578618
  H      -5.647747      1.706330      4.146230
  H      -5.651709     -2.343121      5.925562
  N      -2.104484      2.523889      3.018024
  N      -2.271375      3.394269      2.001873
  H      -1.873947      4.760956      3.903214
  H      -3.242180      3.632731      1.778292
  H      -1.735922      3.174461      1.158523
91
Coordinates from ORCA-job orca E -6562.690956526961
  N      -1.445454      0.629984      5.332304
  Mo     -2.644248      2.135321      4.746278
  N      -4.397268      2.407414      5.725958
  C      -4.384746      2.822074      7.137157
  C      -3.122735      2.317621      7.832065
  N      -1.930907      2.720021      7.038441
  C      -0.731471      1.885656      7.295504
  C      -0.906744      0.507834      6.688770
  C      -1.617395      4.160511      7.226963
  C      -1.217825      4.793286      5.904699
  N      -2.272162      4.521277      4.899912
  H       0.077383      0.004297      6.674660
  H      -1.570523     -0.118475      7.317879
  H       0.115977      2.389189      6.808496
  H      -0.519827      1.823239      8.377682
  H      -1.042187      5.875313      6.027687
  H      -0.287553      4.346055      5.525182
  H      -2.509695      4.658838      7.627901
  H      -0.821053      4.284640      7.978226
  H      -5.254089      2.406365      7.669856
  H      -4.464302      3.922269      7.232852
  H      -3.165310      1.221285      7.857253
  H      -3.044915      2.697217      8.866840
  C      -3.508546     -6.987202      3.488917
  C      -2.789603     -5.696345      3.782081
  O      -1.771914     -5.660773      4.463749
  C      -3.383301     -4.416748      3.260467
  C      -4.453511     -4.380230      2.353429
  C      -4.990965     -3.164611      1.936912
  C      -4.476152     -1.984120      2.453161
  F      -5.028811     -0.829691      2.041942
  C      -3.401265     -1.970559      3.372593
  C      -2.891815     -0.742139      3.975432
  O      -3.556699      0.322508      3.943893
  C      -1.555262     -0.656951      4.659566
  C      -2.862540     -3.215482      3.739200
  C      -5.767215     12.215122      2.481246
  C      -4.782362     11.071984      2.510551
  O      -3.750009     11.097714      1.851817
  C      -5.090245      9.884817      3.381581
  C      -6.256356      9.796969      4.161551
  C      -6.497567      8.675997      4.949912
  C      -5.565462      7.645824      4.956670
  F      -5.839806      6.571933      5.738532
  C      -4.383652      7.684070      4.194816
  C      -3.334170      6.622188      4.149304
  O      -2.380104      6.721038      3.383762
  C      -3.454490      5.386120      5.033550
  C      -4.178344      8.829183      3.410415
  C      -7.818160     -5.484189      4.305232
  C      -6.914961     -4.439953      4.916544
  O      -5.887366     -4.757924      5.507972
  C      -7.283075     -2.995865      4.758107
  C      -8.391001     -2.576810      4.000653
  C      -8.662004     -1.222107      3.836506
  C      -7.814067     -0.290013      4.424771
  F      -8.111585      1.018467      4.243791
  C      -6.700331     -0.656741      5.197101
  C      -5.714606      0.284870      5.829799
  O      -4.961209     -0.132926      6.700594
  C      -5.615755      1.731960      5.326144
  C      -6.468391     -2.029422      5.353098
  H      -2.970115     -7.817389      3.957283
  H      -4.535358     -6.939048      3.884457
  H      -3.581916     -7.163112      2.404751
  H      -4.883499     -5.306021      1.970806
  H      -5.818259     -3.114976      1.228787
  H      -0.775095     -0.803949      3.881509
  H      -1.431610     -1.494184      5.368139
  H      -2.042769     -3.278590      4.455185
  H      -5.916728     12.629142      3.489896
  H      -6.751150     11.872199      2.124130
  H      -5.390566     12.998183      1.815400
  H      -6.986858     10.606149      4.158031
  H      -7.396222      8.585746      5.560373
  H      -3.611380      5.683089      6.077880
  H      -4.358242      4.821072      4.751063
  H      -3.273335      8.891499      2.804292
  H      -8.848905     -5.386345      4.677385
  H      -7.432776     -6.480391      4.546370
  H      -7.858660     -5.364326      3.210910
  H      -9.049102     -3.306948      3.529194
  H      -9.518892     -0.873564      3.259684
  H      -6.513954      2.273285      5.681470
  H      -5.704233      1.710716      4.229881
  H      -5.609268     -2.347279      5.945134
  N      -2.178271      2.584621      3.064021
  N      -2.306146      3.479449      2.066859
  H      -1.878904      4.709727      3.984089
  H      -3.266321      3.744521      1.826738
  H      -1.754642      3.230787      1.242464
91
Coordinates from ORCA-job orca E -6562.691507801665
  N      -1.421816      0.629320      5.336147
  Mo     -2.619562      2.130225      4.743028
  N      -4.369563      2.412901      5.719097
  C      -4.357887      2.832837      7.124755
  C      -3.098700      2.327405      7.823487
  N      -1.907919      2.725243      7.030396
  C      -0.709696      1.892941      7.289236
  C      -0.885041      0.513145      6.690954
  C      -1.596520      4.163855      7.218092
  C      -1.196780      4.792727      5.898568
  N      -2.250312      4.515888      4.896528
  H       0.098082      0.007899      6.679484
  H      -1.550141     -0.108343      7.323121
  H       0.137530      2.394701      6.799986
  H      -0.497648      1.834151      8.371555
  H      -1.022909      5.875307      6.018678
  H      -0.266164      4.345459      5.520443
  H      -2.489448      4.661816      7.618257
  H      -0.799920      4.290633      7.968731
  H      -5.230538      2.424257      7.657321
  H      -4.432424      3.934429      7.214411
  H      -3.142485      1.231790      7.853866
  H      -3.021207      2.711793      8.856513
  C      -3.492220     -6.993522      3.541240
  C      -2.774435     -5.701953      3.831991
  O      -1.748279     -5.665681      4.500699
  C      -3.366820     -4.426000      3.301591
  C      -4.437984     -4.395604      2.395168
  C      -4.974588     -3.183145      1.969603
  C      -4.459370     -1.999230      2.477190
  F      -5.011342     -0.847740      2.056650
  C      -3.383723     -1.979536      3.395758
  C      -2.873653     -0.747300      3.989660
  O      -3.538868      0.315100      3.950048
  C      -1.536396     -0.658531      4.670344
  C      -2.845120     -3.222024      3.770971
  C      -5.822580     12.190772      2.519429
  C      -4.820877     11.062511      2.545797
  O      -3.785783     11.108262      1.892322
  C      -5.119288      9.861226      3.400509
  C      -6.290829      9.747304      4.168973
  C      -6.521548      8.615073      4.944448
  C      -5.573416      7.599922      4.949854
  F      -5.836207      6.513161      5.718236
  C      -4.386655      7.663934      4.198096
  C      -3.323198      6.616998      4.152517
  O      -2.361433      6.736337      3.400566
  C      -3.435207      5.374976      5.029580
  C      -4.191834      8.819157      3.426420
  C      -7.895802     -5.432189      4.255100
  C      -6.970900     -4.408454      4.868091
  O      -5.948690     -4.749488      5.456138
  C      -7.315551     -2.957209      4.720260
  C      -8.416943     -2.516257      3.966048
  C      -8.666709     -1.156748      3.809599
  C      -7.805068     -0.241329      4.403166
  F      -8.081121      1.072859      4.228608
  C      -6.698034     -0.629150      5.174376
  C      -5.701030      0.296951      5.812277
  O      -4.948051     -0.133987      6.677101
  C      -5.589015      1.744800      5.312911
  C      -6.486352     -2.006507      5.321817
  H      -2.949130     -7.823212      4.004932
  H      -4.516744     -6.947901      3.943393
  H      -3.571917     -7.167466      2.457176
  H      -4.867212     -5.323964      2.018101
  H      -5.801194     -3.138212      1.260439
  H      -0.759215     -0.808539      3.889863
  H      -1.410823     -1.492893      5.381994
  H      -2.023605     -3.280511      4.485126
  H      -5.987660     12.594150      3.530226
  H      -6.797255     11.834360      2.151347
  H      -5.452950     12.985558      1.863612
  H      -7.033912     10.544877      4.167038
  H      -7.424000      8.505033      5.545850
  H      -3.595183      5.666212      6.075585
  H      -4.336087      4.806537      4.742739
  H      -3.282224      8.901581      2.829921
  H      -8.923203     -5.316973      4.631438
  H      -7.528827     -6.436721      4.490283
  H      -7.937900     -5.305752      3.161687
  H      -9.086579     -3.233115      3.490597
  H      -9.517823     -0.791819      3.234469
  H      -6.485211      2.290118      5.668125
  H      -5.676037      1.728734      4.216560
  H      -5.632835     -2.341515      5.912414
  N      -2.161940      2.552370      3.053569
  N      -2.322639      3.418414      2.034893
  H      -1.853175      4.732218      3.956035
  H      -3.291476      3.673076      1.820205
  H      -1.800163      3.172474      1.190691
91
Coordinates from ORCA-job orca E -6562.691600355354
  N      -1.401758      0.631636      5.323212
  Mo     -2.588893      2.134823      4.713703
  N      -4.343386      2.416879      5.677968
  C      -4.341589      2.832785      7.083746
  C      -3.085011      2.333317      7.790362
  N      -1.890335      2.730939      7.007572
  C      -0.696017      1.898742      7.273308
  C      -0.868629      0.520133      6.677295
  C      -1.575982      4.166536      7.194736
  C      -1.175373      4.793770      5.876753
  N      -2.230421      4.514407      4.879577
  H       0.115633      0.017332      6.668858
  H      -1.534038     -0.101301      7.308564
  H       0.154679      2.399060      6.788839
  H      -0.489996      1.839738      8.356760
  H      -1.003986      5.876521      5.998862
  H      -0.244664      4.348176      5.497281
  H      -2.470086      4.665927      7.591259
  H      -0.781438      4.293704      7.947335
  H      -5.214778      2.416979      7.609379
  H      -4.423807      3.933837      7.173905
  H      -3.125508      1.238188      7.820909
  H      -3.016237      2.718604      8.823638
  C      -3.521073     -7.002560      3.623900
  C      -2.807697     -5.708753      3.917386
  O      -1.781012     -5.670937      4.585073
  C      -3.390274     -4.434939      3.369910
  C      -4.450649     -4.408058      2.450916
  C      -4.966044     -3.197142      1.995675
  C      -4.440835     -2.010423      2.485924
  F      -4.960096     -0.859801      2.023712
  C      -3.377035     -1.986644      3.417758
  C      -2.855354     -0.748494      3.988804
  O      -3.510373      0.317055      3.928681
  C      -1.517120     -0.657695      4.665558
  C      -2.861540     -3.228602      3.826104
  C      -5.886279     12.183795      2.609284
  C      -4.882484     11.057222      2.595754
  O      -3.869696     11.108884      1.908725
  C      -5.160509      9.842111      3.437726
  C      -6.326815      9.703696      4.210819
  C      -6.538559      8.559379      4.973823
  C      -5.575732      7.558279      4.964271
  F      -5.820970      6.455336      5.715261
  C      -4.392430      7.648849      4.211221
  C      -3.314586      6.618686      4.158770
  O      -2.340488      6.767905      3.428405
  C      -3.419109      5.365729      5.021143
  C      -4.217732      8.813746      3.449446
  C      -7.973137     -5.407705      4.299023
  C      -7.018268     -4.387638      4.871051
  O      -6.002884     -4.734136      5.467514
  C      -7.328965     -2.933839      4.681905
  C      -8.405843     -2.486316      3.896358
  C      -8.626215     -1.125300      3.710354
  C      -7.762005     -0.215613      4.309285
  F      -8.007719      1.100796      4.106664
  C      -6.681793     -0.610576      5.113100
  C      -5.683551      0.308063      5.756611
  O      -4.945073     -0.125279      6.632540
  C      -5.559028      1.754228      5.256069
  C      -6.496173     -1.988332      5.285458
  H      -2.975951     -7.830840      4.087548
  H      -4.546192     -6.962009      4.023858
  H      -3.597852     -7.175603      2.539737
  H      -4.881775     -5.337834      2.079700
  H      -5.778029     -3.155165      1.269738
  H      -0.742078     -0.810970      3.883867
  H      -1.389149     -1.488018      5.381221
  H      -2.044866     -3.283627      4.545784
  H      -6.022815     12.575377      3.629318
  H      -6.870398     11.831364      2.264796
  H      -5.535728     12.986447      1.952554
  H      -7.080865     10.490734      4.220797
  H      -7.437150      8.428777      5.576766
  H      -3.578299      5.646055      6.070392
  H      -4.318612      4.796317      4.731430
  H      -3.310820      8.916375      2.852211
  H      -8.996559     -5.246527      4.668869
  H      -7.636222     -6.412178      4.575613
  H      -8.011417     -5.325210      3.201308
  H      -9.079722     -3.198975      3.420995
  H      -9.456880     -0.754862      3.109582
  H      -6.458379      2.305374      5.593166
  H      -5.626453      1.734284      4.158119
  H      -5.660884     -2.327827      5.899060
  N      -2.118586      2.555131      3.026423
  N      -2.260212      3.416979      2.000798
  H      -1.863909      4.752294      3.941117
  H      -3.224196      3.643736      1.740046
  H      -1.682135      3.199949      1.185496
91
Coordinates from ORCA-job orca E -6562.692217189948
  N      -1.399216      0.647518      5.321523
  Mo     -2.604881      2.146876      4.741823
  N      -4.345587      2.419937      5.724263
  C      -4.340421      2.833012      7.128403
  C      -3.082853      2.322794      7.825546
  N      -1.893400      2.720915      7.035963
  C      -0.698553      1.885857      7.286957
  C      -0.873982      0.514566      6.675753
  C      -1.576288      4.153999      7.232337
  C      -1.164679      4.781661      5.919368
  N      -2.213853      4.504890      4.915763
  H       0.108051      0.007047      6.666503
  H      -1.545539     -0.110365      7.297600
  H       0.151099      2.390729      6.805292
  H      -0.487603      1.813462      8.368966
  H      -0.990994      5.864091      6.040851
  H      -0.232947      4.333813      5.545227
  H      -2.470955      4.655284      7.624690
  H      -0.785676      4.276695      7.990174
  H      -5.214139      2.420080      7.655983
  H      -4.416835      3.934369      7.223221
  H      -3.128940      1.227689      7.852148
  H      -3.005958      2.702659      8.860561
  C      -3.515153     -6.975605      3.584765
  C      -2.790905     -5.686189      3.870004
  O      -1.771070     -5.651319      4.548410
  C      -3.373244     -4.410423      3.328402
  C      -4.441046     -4.380499      2.418018
  C      -4.968069     -3.168238      1.980569
  C      -4.448500     -1.983724      2.482211
  F      -4.988090     -0.831658      2.047229
  C      -3.375819     -1.963054      3.403674
  C      -2.863673     -0.727126      3.989830
  O      -3.538509      0.327422      3.964743
  C      -1.510711     -0.626620      4.635860
  C      -2.845807     -3.205841      3.790330
  C      -5.891709     12.124334      2.510494
  C      -4.873903     11.010668      2.538089
  O      -3.839334     11.070902      1.884943
  C      -5.151143      9.809937      3.400612
  C      -6.322304      9.678606      4.167237
  C      -6.532784      8.547328      4.949767
  C      -5.565003      7.551069      4.964407
  F      -5.809279      6.462955      5.737219
  C      -4.377032      7.634069      4.217131
  C      -3.292403      6.609381      4.187120
  O      -2.314697      6.753618      3.460844
  C      -3.402756      5.358709      5.051193
  C      -4.202761      8.787311      3.437717
  C      -7.937584     -5.389897      4.231556
  C      -7.004754     -4.376171      4.849236
  O      -5.987991     -4.728342      5.440064
  C      -7.330839     -2.921182      4.696444
  C      -8.422118     -2.467247      3.935108
  C      -8.655421     -1.104779      3.777842
  C      -7.788097     -0.199600      4.378626
  F      -8.045766      1.118319      4.202311
  C      -6.692245     -0.600659      5.157980
  C      -5.691672      0.314971      5.803264
  O      -4.950146     -0.121540      6.674839
  C      -5.565417      1.762457      5.305088
  C      -6.495695     -1.980044      5.304645
  H      -2.980108     -7.804837      4.058375
  H      -4.542069     -6.921836      3.979347
  H      -3.588296     -7.156594      2.501518
  H      -4.872077     -5.309057      2.043693
  H      -5.789384     -3.123613      1.265310
  H      -0.757515     -0.745119      3.826411
  H      -1.344631     -1.472615      5.324423
  H      -2.025842     -3.263762      4.506054
  H      -6.057827     12.530063      3.520457
  H      -6.862690     11.752875      2.148718
  H      -5.535815     12.921270      1.849722
  H      -7.080769     10.461443      4.157791
  H      -7.434231      8.423369      5.549879
  H      -3.566715      5.640670      6.099536
  H      -4.302865      4.792293      4.758208
  H      -3.291920      8.884329      2.845433
  H      -8.965263     -5.264920      4.603739
  H      -7.582097     -6.398347      4.467556
  H      -7.974002     -5.261824      3.138188
  H      -9.097122     -3.175798      3.455012
  H      -9.498262     -0.730103      3.196923
  H      -6.460768      2.313069      5.654380
  H      -5.644268      1.749310      4.208019
  H      -5.649561     -2.324520      5.900306
  N      -2.179310      2.562111      3.049036
  N      -2.328095      3.387929      1.999468
  H      -1.822031      4.732565      3.977970
  H      -3.294854      3.621942      1.755860
  H      -1.776920      3.135091      1.176043
91
Coordinates from ORCA-job orca E -6562.691386916815
  N      -1.414279      0.677600      5.311405
  Mo     -2.644590      2.176677      4.775354
  N      -4.375184      2.414832      5.778474
  C      -4.366891      2.810342      7.189003
  C      -3.103809      2.291452      7.869818
  N      -1.920558      2.703294      7.076265
  C      -0.721666      1.867343      7.306405
  C      -0.894432      0.509844      6.664341
  C      -1.600258      4.135067      7.284668
  C      -1.180939      4.767400      5.972197
  N      -2.227645      4.491807      4.964515
  H       0.088625      0.003636      6.647414
  H      -1.567522     -0.129291      7.270977
  H       0.125969      2.383878      6.833593
  H      -0.506029      1.771664      8.386146
  H      -1.007293      5.849892      6.092617
  H      -0.248406      4.319320      5.600443
  H      -2.494513      4.637322      7.676128
  H      -0.812517      4.251646      8.046696
  H      -5.237367      2.388514      7.715614
  H      -4.444749      3.909359      7.299278
  H      -3.149841      1.195530      7.881355
  H      -3.021092      2.655853      8.910303
  C      -3.511365     -6.932032      3.491170
  C      -2.784195     -5.644085      3.777437
  O      -1.767719     -5.612040      4.461269
  C      -3.372723     -4.363859      3.253178
  C      -4.447901     -4.326601      2.351979
  C      -4.986330     -3.110463      1.938614
  C      -4.470786     -1.930959      2.456417
  F      -5.025960     -0.775213      2.051013
  C      -3.390641     -1.917544      3.368725
  C      -2.888868     -0.686157      3.976083
  O      -3.586353      0.354844      3.997302
  C      -1.517842     -0.572679      4.582091
  C      -2.847332     -3.162778      3.727894
  C      -5.823479     12.089204      2.382924
  C      -4.817003     10.966672      2.447736
  O      -3.770524     11.006290      1.812150
  C      -5.108800      9.794716      3.344281
  C      -6.281905      9.698515      4.112738
  C      -6.506302      8.591233      4.925024
  C      -5.551601      7.582827      4.966197
  F      -5.811124      6.521861      5.770830
  C      -4.360885      7.631398      4.219359
  C      -3.284033      6.596997      4.217134
  O      -2.308327      6.712056      3.482137
  C      -3.414684      5.355237      5.091068
  C      -4.172018      8.762760      3.411235
  C      -7.857421     -5.429177      4.256866
  C      -6.949325     -4.401272      4.888394
  O      -5.927745     -4.736734      5.480422
  C      -7.302819     -2.952107      4.743224
  C      -8.406728     -2.514573      3.990607
  C      -8.666228     -1.155702      3.842242
  C      -7.810707     -0.237781      4.441318
  F      -8.096267      1.075426      4.275086
  C      -6.701238     -0.622944      5.210197
  C      -5.712242      0.304850      5.857747
  O      -4.964327     -0.126267      6.726129
  C      -5.595546      1.753971      5.361997
  C      -6.480367     -1.999011      5.349676
  H      -2.977133     -7.762709      3.963396
  H      -4.538151     -6.878054      3.886032
  H      -3.585170     -7.111029      2.407475
  H      -4.878420     -5.252003      1.969190
  H      -5.815794     -3.059701      1.233089
  H      -0.794219     -0.639567      3.739487
  H      -1.301647     -1.440017      5.228111
  H      -2.023184     -3.226503      4.438591
  H      -5.993603     12.519496      3.381655
  H      -6.795990     11.720827      2.020752
  H      -5.452547     12.866661      1.707397
  H      -7.030580     10.490297      4.081378
  H      -7.408995      8.494761      5.528515
  H      -3.577765      5.652013      6.135191
  H      -4.319856      4.796489      4.804322
  H      -3.259532      8.833365      2.817359
  H      -8.888404     -5.332949      4.628886
  H      -7.479220     -6.431993      4.481378
  H      -7.895762     -5.288560      3.165040
  H      -9.071646     -3.232736      3.510338
  H      -9.520546     -0.794122      3.269695
  H      -6.489961      2.297008      5.725250
  H      -5.685019      1.749481      4.266236
  H      -5.624310     -2.331091      5.938262
  N      -2.268556      2.614333      3.085493
  N      -2.399340      3.419560      2.025423
  H      -1.819954      4.686379      4.051621
  H      -3.362620      3.645969      1.760931
  H      -1.830327      3.147789      1.220720
91
Coordinates from ORCA-job orca E -6562.692647693423
  N      -1.419294      0.668002      5.310634
  Mo     -2.648823      2.168282      4.770200
  N      -4.382310      2.408762      5.777026
  C      -4.368136      2.806163      7.189018
  C      -3.102898      2.291742      7.870015
  N      -1.920089      2.704860      7.075233
  C      -0.719989      1.868243      7.304390
  C      -0.893797      0.507424      6.664570
  C      -1.605468      4.139578      7.279793
  C      -1.195573      4.775768      5.964486
  N      -2.243993      4.500949      4.955297
  H       0.089646      0.002483      6.645380
  H      -1.563671     -0.131298      7.274804
  H       0.125932      2.384529      6.828236
  H      -0.502433      1.775582      8.383708
  H      -1.024587      5.858350      6.087126
  H      -0.262447      4.331559      5.589344
  H      -2.500445      4.637488      7.675426
  H      -0.814946      4.259525      8.038287
  H      -5.236261      2.383847      7.718520
  H      -4.447409      3.905409      7.297151
  H      -3.146126      1.195586      7.882751
  H      -3.019927      2.658112      8.909495
  C      -3.501969     -6.950337      3.498159
  C      -2.781004     -5.659801      3.788082
  O      -1.760040     -5.625397      4.465019
  C      -3.372020     -4.381375      3.261768
  C      -4.446972     -4.347270      2.360192
  C      -4.986416     -3.132689      1.943530
  C      -4.470874     -1.951321      2.456894
  F      -5.026555     -0.797344      2.047326
  C      -3.390634     -1.934891      3.369486
  C      -2.887693     -0.702556      3.972803
  O      -3.582078      0.341273      3.985413
  C      -1.520428     -0.590102      4.589863
  C      -2.847636     -3.178730      3.733498
  C      -5.804544     12.120667      2.392278
  C      -4.805164     10.991455      2.450402
  O      -3.767815     11.018950      1.799442
  C      -5.099946      9.820588      3.347482
  C      -6.267841      9.733572      4.124957
  C      -6.495677      8.627311      4.937631
  C      -5.549512      7.610582      4.970147
  F      -5.811497      6.551061      5.775789
  C      -4.364708      7.649351      4.213353
  C      -3.298372      6.604292      4.199982
  O      -2.324102      6.715408      3.462381
  C      -3.427970      5.366775      5.080916
  C      -4.172097      8.780114      3.405210
  C      -7.849713     -5.440348      4.250173
  C      -6.940815     -4.410807      4.877758
  O      -5.919964     -4.744680      5.471991
  C      -7.298856     -2.962419      4.736874
  C      -8.403637     -2.526377      3.984661
  C      -8.666188     -1.167958      3.838228
  C      -7.813021     -0.248997      4.439111
  F      -8.101495      1.063754      4.274246
  C      -6.703021     -0.632708      5.208175
  C      -5.714297      0.295760      5.855604
  O      -4.968272     -0.134445      6.726254
  C      -5.604610      1.747141      5.366065
  C      -6.479204     -2.008605      5.345807
  H      -2.962706     -7.780142      3.966178
  H      -4.528064     -6.902402      3.895503
  H      -3.577321     -7.126206      2.414055
  H      -4.877316     -5.274008      1.980447
  H      -5.816254     -3.084578      1.238290
  H      -0.787978     -0.666646      3.756258
  H      -1.314912     -1.452398      5.246286
  H      -2.023895     -3.239898      4.444981
  H      -5.961481     12.555039      3.391413
  H      -6.783210     11.758015      2.041036
  H      -5.435315     12.893494      1.710520
  H      -7.009702     10.531972      4.100600
  H      -7.394474      8.538068      5.547994
  H      -3.587793      5.666767      6.124499
  H      -4.333749      4.806591      4.798021
  H      -3.264180      8.843175      2.803601
  H      -8.880218     -5.343048      4.623298
  H      -7.470885     -6.442485      4.476606
  H      -7.889357     -5.302733      3.158001
  H      -9.066252     -3.245556      3.502796
  H      -9.520736     -0.807278      3.265468
  H      -6.498829      2.288482      5.732193
  H      -5.696312      1.743708      4.270439
  H      -5.622335     -2.339697      5.933856
  N      -2.263443      2.610496      3.079360
  N      -2.416174      3.432165      2.031543
  H      -1.838276      4.718896      4.034572
  H      -3.384186      3.658427      1.784631
  H      -1.857847      3.177197      1.213827
91
Coordinates from ORCA-job orca E -6562.692430140250
  N      -1.391587      0.668150      5.314520
  Mo     -2.628153      2.157145      4.771418
  N      -4.350703      2.417830      5.783959
  C      -4.333783      2.833506      7.185753
  C      -3.072983      2.316983      7.871599
  N      -1.892477      2.713063      7.070492
  C      -0.697643      1.872487      7.302677
  C      -0.877104      0.509775      6.670131
  C      -1.574958      4.144787      7.269785
  C      -1.158709      4.770124      5.958282
  N      -2.202307      4.492182      4.945747
  H       0.101884     -0.003354      6.659456
  H      -1.556002     -0.120072      7.279047
  H       0.150838      2.382752      6.824644
  H      -0.481030      1.783058      8.382311
  H      -0.985602      5.852739      6.076446
  H      -0.225104      4.321869      5.589515
  H      -2.470521      4.647445      7.658571
  H      -0.786685      4.267226      8.030355
  H      -5.205492      2.426405      7.720671
  H      -4.403526      3.936164      7.279284
  H      -3.123257      1.222097      7.898176
  H      -2.985153      2.695477      8.906305
  C      -3.458163     -6.965621      3.569171
  C      -2.740254     -5.672902      3.853433
  O      -1.712189     -5.633814      4.519136
  C      -3.337726     -4.400936      3.321165
  C      -4.418306     -4.378476      2.425787
  C      -4.966329     -3.170402      2.003629
  C      -4.454731     -1.983200      2.506660
  F      -5.017195     -0.835067      2.090024
  C      -3.368219     -1.955334      3.411633
  C      -2.865905     -0.716290      4.001283
  O      -3.570242      0.318152      4.022633
  C      -1.489329     -0.587938      4.594287
  C      -2.816124     -3.193246      3.781129
  C      -5.900099     12.062196      2.414345
  C      -4.867882     10.963453      2.477955
  O      -3.836956     11.012476      1.818120
  C      -5.137056      9.780954      3.367851
  C      -6.301052      9.666117      4.147832
  C      -6.504004      8.552354      4.956949
  C      -5.536994      7.555713      4.982720
  F      -5.772188      6.486475      5.784296
  C      -4.357253      7.621182      4.220504
  C      -3.275521      6.593520      4.198838
  O      -2.293456      6.732353      3.477639
  C      -3.388749      5.350893      5.074007
  C      -4.189240      8.758370      3.416526
  C      -7.933113     -5.344673      4.106349
  C      -7.012081     -4.350445      4.771287
  O      -5.994575     -4.719596      5.350674
  C      -7.348761     -2.892753      4.673639
  C      -8.453264     -2.421425      3.942802
  C      -8.696317     -1.056251      3.831307
  C      -7.824050     -0.164817      4.444740
  F      -8.091533      1.156599      4.312640
  C      -6.713968     -0.582994      5.194556
  C      -5.708496      0.320003      5.850881
  O      -4.966739     -0.129990      6.715360
  C      -5.579956      1.773447      5.370444
  C      -6.509380     -1.965570      5.298566
  H      -2.914466     -7.793098      4.035919
  H      -4.482414     -6.918331      3.972432
  H      -3.538674     -7.143108      2.485769
  H      -4.845172     -5.310001      2.054151
  H      -5.799776     -3.131450      1.302211
  H      -0.773225     -0.651005      3.745509
  H      -1.258292     -1.448729      5.244007
  H      -1.987477     -3.245832      4.487281
  H      -6.069704     12.500183      3.410209
  H      -6.866731     11.665521      2.068060
  H      -5.555733     12.840677      1.726054
  H      -7.059136     10.449159      4.129570
  H      -7.398669      8.442627      5.569815
  H      -3.550870      5.640873      6.120796
  H      -4.290586      4.784833      4.785612
  H      -3.284119      8.842251      2.813647
  H      -8.961404     -5.251856      4.486304
  H      -7.564183     -6.358788      4.292120
  H      -7.974006     -5.163243      3.020770
  H      -9.131141     -3.118374      3.449925
  H      -9.550328     -0.669125      3.275404
  H      -6.467719      2.324180      5.739340
  H      -5.673706      1.775650      4.274783
  H      -5.653312     -2.323528      5.871707
  N      -2.274008      2.553541      3.064003
  N      -2.457093      3.323532      1.979222
  H      -1.794341      4.734836      4.004699
  H      -3.432100      3.540522      1.753795
  H      -1.927068      3.042983      1.151056
91
Coordinates from ORCA-job orca E -6562.693074130619
  N      -1.396860      0.678782      5.305946
  Mo     -2.639495      2.166383      4.766706
  N      -4.363088      2.419029      5.779651
  C      -4.347930      2.837689      7.181698
  C      -3.089211      2.321090      7.871346
  N      -1.905688      2.713480      7.073059
  C      -0.714641      1.868457      7.306879
  C      -0.894428      0.510333      6.665034
  C      -1.581759      4.143792      7.270291
  C      -1.161762      4.765795      5.957868
  N      -2.206037      4.488675      4.945062
  H       0.083056     -0.005708      6.659118
  H      -1.580033     -0.120720      7.265124
  H       0.138029      2.378357      6.836035
  H      -0.503704      1.772266      8.387072
  H      -0.987107      5.848307      6.074231
  H      -0.229054      4.314760      5.590304
  H      -2.475777      4.650957      7.656842
  H      -0.794081      4.264480      8.031732
  H      -5.221437      2.433054      7.715595
  H      -4.416230      3.940438      7.271936
  H      -3.141341      1.226353      7.899231
  H      -3.004167      2.700706      8.905954
  C      -3.451051     -6.961569      3.567750
  C      -2.735578     -5.666997      3.850485
  O      -1.710542     -5.624670      4.520666
  C      -3.335774     -4.396186      3.318123
  C      -4.412899     -4.375696      2.418713
  C      -4.960355     -3.168359      1.993045
  C      -4.452110     -1.980293      2.497354
  F      -5.010510     -0.832480      2.073990
  C      -3.369627     -1.950492      3.406844
  C      -2.870940     -0.709598      3.996219
  O      -3.582275      0.319466      4.026800
  C      -1.488608     -0.571480      4.574917
  C      -2.817744     -3.187309      3.779759
  C      -5.878099     12.073539      2.422169
  C      -4.856897     10.963849      2.472463
  O      -3.829231     11.006738      1.807175
  C      -5.125915      9.785347      3.367730
  C      -6.285320      9.678710      4.155721
  C      -6.488947      8.567973      4.968811
  C      -5.526679      7.566670      4.991305
  F      -5.762946      6.499554      5.795210
  C      -4.351020      7.624646      4.222360
  C      -3.274351      6.592205      4.198722
  O      -2.295208      6.723240      3.471875
  C      -3.390980      5.351737      5.076516
  C      -4.182637      8.758396      3.413503
  C      -7.921879     -5.361022      4.131418
  C      -7.000801     -4.360574      4.787192
  O      -5.979907     -4.723594      5.364406
  C      -7.340611     -2.904306      4.681277
  C      -8.445490     -2.439271      3.946823
  C      -8.693025     -1.075275      3.830277
  C      -7.825187     -0.178981      4.443160
  F      -8.097336      1.141152      4.307971
  C      -6.715338     -0.591017      5.196340
  C      -5.715739      0.317949      5.852946
  O      -4.976564     -0.126150      6.722571
  C      -5.590841      1.769988      5.367925
  C      -6.505412     -1.972328      5.304418
  H      -2.906684     -7.787200      4.037000
  H      -4.475914     -6.915203      3.969294
  H      -3.529525     -7.141514      2.484666
  H      -4.836324     -5.307963      2.045004
  H      -5.789625     -3.130828      1.286612
  H      -0.783012     -0.616712      3.716317
  H      -1.238577     -1.435828      5.212335
  H      -1.990787     -3.237969      4.488037
  H      -6.031988     12.510670      3.420985
  H      -6.852787     11.688696      2.085329
  H      -5.532618     12.850049      1.732207
  H      -7.039540     10.465539      4.140017
  H      -7.380501      8.463948      5.587196
  H      -3.546886      5.646405      6.122960
  H      -4.296032      4.788314      4.794048
  H      -3.280915      8.836392      2.804737
  H      -8.948957     -5.267797      4.514565
  H      -7.550283     -6.373192      4.322325
  H      -7.967310     -5.186667      3.044843
  H      -9.120497     -3.140237      3.455714
  H      -9.547487     -0.692932      3.271770
  H      -6.479854      2.319294      5.735893
  H      -5.684279      1.769517      4.272238
  H      -5.649078     -2.325328      5.880198
  N      -2.298311      2.558434      3.056682
  N      -2.474826      3.315005      1.962813
  H      -1.803699      4.723330      4.011884
  H      -3.448856      3.512384      1.716592
  H      -1.920627      3.036386      1.150188
91
Coordinates from ORCA-job orca E -6562.693881596633
  N      -1.423405      0.712015      5.279515
  Mo     -2.694781      2.195724      4.781121
  N      -4.416875      2.409866      5.809141
  C      -4.397165      2.810327      7.219900
  C      -3.134311      2.288585      7.898935
  N      -1.953166      2.695969      7.102469
  C      -0.759731      1.848945      7.319577
  C      -0.933497      0.507716      6.640426
  C      -1.626844      4.125859      7.310321
  C      -1.203165      4.756451      5.998363
  N      -2.246926      4.486472      4.979724
  H       0.044670     -0.006952      6.629005
  H      -1.622949     -0.139218      7.219219
  H       0.093189      2.371451      6.863253
  H      -0.551242      1.726935      8.397651
  H      -1.028558      5.838462      6.118092
  H      -0.270563      4.305483      5.630463
  H      -2.519585      4.632315      7.700566
  H      -0.839283      4.239954      8.072949
  H      -5.268344      2.396703      7.750863
  H      -4.467699      3.910642      7.323686
  H      -3.183025      1.192766      7.910739
  H      -3.049083      2.653134      8.938948
  C      -3.433209     -6.933747      3.481719
  C      -2.726246     -5.634916      3.769704
  O      -1.691582     -5.590857      4.425045
  C      -3.338974     -4.362882      3.253063
  C      -4.418721     -4.340584      2.357260
  C      -4.976468     -3.132051      1.946484
  C      -4.475540     -1.946002      2.462927
  F      -5.042480     -0.796399      2.054417
  C      -3.391348     -1.918043      3.369820
  C      -2.904511     -0.678596      3.973620
  O      -3.636540      0.334056      4.043217
  C      -1.506575     -0.518962      4.513569
  C      -2.828073     -3.154436      3.726184
  C      -5.744510     12.110458      2.349273
  C      -4.748711     10.979113      2.423163
  O      -3.720478     10.984743      1.757492
  C      -5.051167      9.818647      3.331330
  C      -6.217160      9.749816      4.113573
  C      -6.452188      8.654366      4.938774
  C      -5.514972      7.629886      4.978593
  F      -5.782875      6.579443      5.793932
  C      -4.332469      7.650829      4.217563
  C      -3.277541      6.595839      4.213714
  O      -2.298435      6.691547      3.480387
  C      -3.423912      5.365535      5.102102
  C      -4.132479      8.770526      3.396020
  C      -7.817459     -5.443673      4.225178
  C      -6.912096     -4.411423      4.853695
  O      -5.884953     -4.741677      5.439038
  C      -7.289256     -2.965891      4.736989
  C      -8.407642     -2.533409      4.002916
  C      -8.690814     -1.176675      3.881102
  C      -7.844092     -0.255758      4.487937
  F      -8.152746      1.055859      4.350422
  C      -6.721631     -0.636372      5.239537
  C      -5.742600      0.296922      5.893631
  O      -4.997931     -0.129779      6.766869
  C      -5.640803      1.748487      5.404807
  C      -6.476903     -2.010585      5.353485
  H      -2.875506     -7.759061      3.935850
  H      -4.453352     -6.901441      3.895330
  H      -3.522957     -7.103960      2.397916
  H      -4.836803     -5.271806      1.975029
  H      -5.807492     -3.092874      1.242111
  H      -0.830280     -0.515882      3.630813
  H      -1.210380     -1.394900      5.113261
  H      -1.999037     -3.205698      4.432224
  H      -5.889609     12.567500      3.340218
  H      -6.727949     11.744301      2.016083
  H      -5.378873     12.866784      1.647370
  H      -6.952054     10.554374      4.083437
  H      -7.349643      8.579263      5.552946
  H      -3.575741      5.674978      6.143849
  H      -4.335446      4.812884      4.823457
  H      -3.225869      8.820114      2.791302
  H      -8.842807     -5.364985      4.616637
  H      -7.422730     -6.443985      4.431532
  H      -7.877222     -5.291165      3.136076
  H      -9.066091     -3.254002      3.517752
  H      -9.556945     -0.819138      3.324029
  H      -6.532342      2.286027      5.782311
  H      -5.741136      1.749611      4.309963
  H      -5.610190     -2.339226      5.928402
  N      -2.400081      2.604899      3.069056
  N      -2.578872      3.351053      1.971796
  H      -1.843346      4.711985      4.069292
  H      -3.553361      3.519811      1.706188
  H      -1.998362      3.076839      1.176406
91
Coordinates from ORCA-job orca E -6562.694578046358
  N      -1.428751      0.727219      5.262673
  Mo     -2.717201      2.201351      4.778763
  N      -4.435775      2.412245      5.813164
  C      -4.412693      2.823646      7.220920
  C      -3.150715      2.303516      7.902099
  N      -1.969082      2.698666      7.101117
  C      -0.782494      1.842322      7.319125
  C      -0.960013      0.506944      6.628212
  C      -1.632176      4.126726      7.300101
  C      -1.205875      4.748320      5.985076
  N      -2.252041      4.478100      4.968030
  H       0.013761     -0.015835      6.624696
  H      -1.662173     -0.138197      7.193340
  H       0.076702      2.361866      6.871431
  H      -0.581005      1.711196      8.397360
  H      -1.028151      5.830316      6.099133
  H      -0.275490      4.291961      5.618547
  H      -2.521833      4.641055      7.687148
  H      -0.843909      4.240637      8.062112
  H      -5.284893      2.417957      7.756080
  H      -4.478768      3.925161      7.314441
  H      -3.203914      1.208432      7.922324
  H      -3.062783      2.675646      8.939258
  C      -3.379581     -6.940902      3.508170
  C      -2.683967     -5.633423      3.784496
  O      -1.645927     -5.575349      4.433317
  C      -3.319162     -4.369401      3.275474
  C      -4.405247     -4.360534      2.387261
  C      -4.977099     -3.158674      1.975953
  C      -4.484169     -1.966343      2.485298
  F      -5.058961     -0.822809      2.070362
  C      -3.394347     -1.924985      3.384603
  C      -2.913549     -0.677845      3.978056
  O      -3.662143      0.319973      4.070455
  C      -1.502704     -0.492267      4.478536
  C      -2.817895     -3.154455      3.742777
  C      -5.710521     12.135122      2.382759
  C      -4.738059     10.981980      2.420249
  O      -3.715380     10.982673      1.746080
  C      -5.035582      9.825726      3.335476
  C      -6.188121      9.769632      4.138593
  C      -6.420111      8.677140      4.968620
  C      -5.492294      7.643783      4.993707
  F      -5.756536      6.594880      5.812065
  C      -4.323101      7.652602      4.212851
  C      -3.280550      6.586853      4.195427
  O      -2.303466      6.675852      3.458421
  C      -3.425781      5.363431      5.093712
  C      -4.125920      8.769007      3.386084
  C      -7.810001     -5.443284      4.204742
  C      -6.912890     -4.411405      4.845804
  O      -5.886204     -4.741271      5.432305
  C      -7.288083     -2.965754      4.724179
  C      -8.398667     -2.533201      3.978100
  C      -8.681974     -1.176466      3.855309
  C      -7.843479     -0.255952      4.474123
  F      -8.149150      1.056362      4.334626
  C      -6.730608     -0.636775      5.238682
  C      -5.761158      0.298614      5.902597
  O      -5.030767     -0.122873      6.790230
  C      -5.659926      1.749512      5.411370
  C      -6.484043     -2.010657      5.351903
  H      -2.807896     -7.758524      3.958730
  H      -4.395525     -6.918460      3.932595
  H      -3.478835     -7.115738      2.426041
  H      -4.814274     -5.296838      2.007643
  H      -5.810328     -3.129566      1.273723
  H      -0.855712     -0.453431      3.575217
  H      -1.163959     -1.370522      5.051400
  H      -1.981400     -3.194722      4.440612
  H      -5.823696     12.582644      3.382385
  H      -6.708579     11.794352      2.067296
  H      -5.344236     12.892473      1.682295
  H      -6.915368     10.581480      4.120410
  H      -7.307746      8.611212      5.597872
  H      -3.566298      5.681502      6.134877
  H      -4.342268      4.812961      4.827407
  H      -3.229263      8.809203      2.766114
  H      -8.838120     -5.369953      4.589788
  H      -7.413542     -6.443377      4.408752
  H      -7.863247     -5.285397      3.116050
  H      -9.051162     -3.253799      3.485025
  H      -9.541758     -0.818777      3.288656
  H      -6.552144      2.288369      5.786078
  H      -5.758544      1.747207      4.316355
  H      -5.623261     -2.339316      5.935518
  N      -2.461181      2.586088      3.056172
  N      -2.667914      3.292423      1.939054
  H      -1.850240      4.716497      4.048077
  H      -3.648308      3.425925      1.675832
  H      -2.081699      3.023578      1.146217
91
Coordinates from ORCA-job orca E -6562.695185601317
  N      -1.432339      0.748712      5.240097
  Mo     -2.745155      2.210732      4.780582
  N      -4.461198      2.413274      5.821599
  C      -4.433050      2.830830      7.228282
  C      -3.171608      2.309025      7.908846
  N      -1.990262      2.696155      7.104122
  C      -0.807768      1.833192      7.319366
  C      -0.984286      0.507167      6.609447
  C      -1.645039      4.122433      7.298277
  C      -1.213261      4.737618      5.982422
  N      -2.260622      4.470850      4.964706
  H      -0.013559     -0.021025      6.610720
  H      -1.696918     -0.141218      7.157400
  H       0.056135      2.354227      6.882751
  H      -0.613291      1.688771      8.397009
  H      -1.031634      5.819141      6.093623
  H      -0.285063      4.275470      5.617975
  H      -2.532507      4.643123      7.682102
  H      -0.857088      4.234809      8.060925
  H      -5.306151      2.432101      7.766877
  H      -4.493550      3.933305      7.315159
  H      -3.228971      1.214530      7.932732
  H      -3.080240      2.684499      8.944531
  C      -3.320635     -6.941715      3.525665
  C      -2.633712     -5.626578      3.786540
  O      -1.588762     -5.555358      4.422803
  C      -3.290813     -4.370969      3.285195
  C      -4.384370     -4.375747      2.406349
  C      -4.973267     -3.180941      1.998136
  C      -4.490147     -1.982792      2.502792
  F      -5.079176     -0.845525      2.089860
  C      -3.393462     -1.928062      3.392547
  C      -2.922484     -0.674156      3.980366
  O      -3.689820      0.305191      4.100942
  C      -1.498990     -0.458265      4.436117
  C      -2.799623     -3.149743      3.747318
  C      -5.662523     12.157001      2.393714
  C      -4.705788     10.990518      2.418023
  O      -3.692841     10.976605      1.729482
  C      -5.006809      9.838454      3.337538
  C      -6.151338      9.796301      4.152986
  C      -6.387168      8.707439      4.986807
  C      -5.470493      7.664127      5.003992
  F      -5.737798      6.617671      5.824226
  C      -4.309540      7.659324      4.211353
  C      -3.280259      6.582187      4.187510
  O      -2.308944      6.656489      3.441119
  C      -3.429500      5.364794      5.093936
  C      -4.108476      8.771792      3.380134
  C      -7.798685     -5.448824      4.187083
  C      -6.907781     -4.416232      4.835727
  O      -5.877517     -4.744319      5.417154
  C      -7.288067     -2.971445      4.718018
  C      -8.397688     -2.540717      3.969301
  C      -8.686841     -1.184698      3.851114
  C      -7.855198     -0.263259      4.477773
  F      -8.164842      1.048808      4.343105
  C      -6.744534     -0.642320      5.245697
  C      -5.783398      0.296407      5.916417
  O      -5.058556     -0.121769      6.810114
  C      -5.685368      1.747304      5.423540
  C      -6.491088     -2.015417      5.353599
  H      -2.734387     -7.752031      3.970622
  H      -4.330352     -6.926816      3.965396
  H      -3.434419     -7.122173      2.445949
  H      -4.784788     -5.317117      2.029986
  H      -5.811305     -3.162126      1.301319
  H      -0.887610     -0.379402      3.511456
  H      -1.113181     -1.337481      4.976751
  H      -1.955980     -3.178769      4.437026
  H      -5.753644     12.607294      3.394410
  H      -6.670095     11.830303      2.094185
  H      -5.296393     12.908386      1.686751
  H      -6.869698     10.616188      4.141413
  H      -7.269198      8.652005      5.624848
  H      -3.559088      5.689608      6.134861
  H      -4.351377      4.818972      4.837061
  H      -3.217899      8.801358      2.750918
  H      -8.826761     -5.384117      4.573745
  H      -7.396282     -6.447966      4.384007
  H      -7.854231     -5.283871      3.099531
  H      -9.044727     -3.262389      3.470630
  H      -9.545761     -0.828402      3.282325
  H      -6.578080      2.285890      5.798130
  H      -5.784341      1.742676      4.328766
  H      -5.631121     -2.342888      5.938930
  N      -2.535045      2.575587      3.048288
  N      -2.772833      3.244409      1.916119
  H      -1.858061      4.718283      4.034235
  H      -3.759215      3.339636      1.658683
  H      -2.183300      2.980929      1.124128
91
Coordinates from ORCA-job orca E -6562.695930080081
  N      -1.433538      0.779714      5.201368
  Mo     -2.784172      2.224728      4.780340
  N      -4.502498      2.411226      5.824497
  C      -4.465608      2.825657      7.234605
  C      -3.202938      2.298531      7.909810
  N      -2.023009      2.686750      7.102520
  C      -0.837010      1.825987      7.310312
  C      -1.000340      0.513693      6.573227
  C      -1.675594      4.112788      7.296556
  C      -1.237104      4.726252      5.982076
  N      -2.286219      4.466207      4.964262
  H      -0.027905     -0.011201      6.572810
  H      -1.715630     -0.148298      7.101273
  H       0.026697      2.357623      6.886440
  H      -0.648132      1.665209      8.386219
  H      -1.052446      5.807032      6.094440
  H      -0.311053      4.259256      5.618818
  H      -2.562533      4.635793      7.679048
  H      -0.888095      4.223105      8.060029
  H      -5.338637      2.430618      7.775510
  H      -4.520030      3.928612      7.321345
  H      -3.261999      1.204092      7.929388
  H      -3.107432      2.670901      8.946162
  C      -3.242713     -6.941927      3.545731
  C      -2.564777     -5.617723      3.781856
  O      -1.505759     -5.530033      4.392283
  C      -3.248519     -4.373967      3.288126
  C      -4.354406     -4.397554      2.425465
  C      -4.968270     -3.212764      2.024073
  C      -4.497579     -2.007041      2.521739
  F      -5.112681     -0.878579      2.121329
  C      -3.389125     -1.934206      3.394760
  C      -2.932579     -0.672322      3.977670
  O      -3.720959      0.283517      4.129276
  C      -1.497511     -0.418773      4.381775
  C      -2.768813     -3.144390      3.740707
  C      -5.569525     12.204165      2.403936
  C      -4.631373     11.022828      2.429252
  O      -3.630099     10.982793      1.724859
  C      -4.953814      9.873009      3.344609
  C      -6.097901      9.849463      4.161368
  C      -6.353449      8.762601      4.992224
  C      -5.456220      7.702532      5.005449
  F      -5.741934      6.657501      5.820730
  C      -4.296452      7.679064      4.211411
  C      -3.287676      6.584044      4.184726
  O      -2.324916      6.634581      3.424990
  C      -3.447685      5.372032      5.098499
  C      -4.075905      8.789398      3.382108
  C      -7.781492     -5.474768      4.189203
  C      -6.895342     -4.435547      4.833694
  O      -5.857094     -4.755858      5.405601
  C      -7.289900     -2.993808      4.721368
  C      -8.404771     -2.572094      3.975423
  C      -8.707225     -1.218585      3.860463
  C      -7.883342     -0.290781      4.488091
  F      -8.206024      1.018670      4.358230
  C      -6.767926     -0.660763      5.253575
  C      -5.815108      0.286054      5.925975
  O      -5.085989     -0.128305      6.818083
  C      -5.725237      1.737521      5.431126
  C      -6.500963     -2.031717      5.358353
  H      -2.636349     -7.742982      3.980416
  H      -4.241465     -6.934415      4.011038
  H      -3.381866     -7.131240      2.470461
  H      -4.746191     -5.345954      2.057413
  H      -5.817161     -3.208483      1.340282
  H      -0.929062     -0.299485      3.435672
  H      -1.060788     -1.294915      4.888267
  H      -1.915362     -3.157680      4.418802
  H      -5.645716     12.661437      3.402517
  H      -6.584826     11.893223      2.112913
  H      -5.195917     12.945489      1.690230
  H      -6.801052     10.682601      4.153524
  H      -7.236231      8.721665      5.630326
  H      -3.564979      5.701151      6.139896
  H      -4.375683      4.833899      4.848380
  H      -3.186153      8.804320      2.751169
  H      -8.806839     -5.418934      4.584556
  H      -7.368965     -6.470648      4.381860
  H      -7.847651     -5.309474      3.102235
  H      -9.044762     -3.299447      3.475718
  H      -9.570244     -0.869125      3.293640
  H      -6.619310      2.273446      5.806821
  H      -5.824757      1.730443      4.337059
  H      -5.637107     -2.353100      5.941149
  N      -2.626112      2.579125      3.038471
  N      -2.898779      3.226694      1.903753
  H      -1.889445      4.714280      4.024414
  H      -3.890407      3.275989      1.651618
  H      -2.303447      2.974837      1.112319
91
Coordinates from ORCA-job orca E -6562.696723492810
  N      -1.434549      0.808323      5.160778
  Mo     -2.816935      2.238700      4.774872
  N      -4.536324      2.416812      5.819042
  C      -4.494362      2.828867      7.230505
  C      -3.234986      2.290529      7.904155
  N      -2.053947      2.675341      7.096939
  C      -0.867902      1.812419      7.299069
  C      -1.021964      0.514755      6.535196
  C      -1.702265      4.100114      7.295989
  C      -1.253570      4.713429      5.985740
  N      -2.301726      4.461525      4.965077
  H      -0.050939     -0.012622      6.536094
  H      -1.745201     -0.156290      7.040776
  H      -0.001605      2.351501      6.890286
  H      -0.687360      1.634264      8.373326
  H      -1.064759      5.793113      6.100851
  H      -0.329015      4.241518      5.625466
  H      -2.588642      4.625971      7.675928
  H      -0.916969      4.205605      8.062609
  H      -5.370438      2.440713      7.771080
  H      -4.539228      3.932556      7.316946
  H      -3.300300      1.196314      7.920218
  H      -3.136326      2.659915      8.941238
  C      -3.182680     -6.940641      3.572122
  C      -2.511364     -5.609729      3.787434
  O      -1.442085     -5.508918      4.377725
  C      -3.212896     -4.376765      3.293078
  C      -4.327221     -4.418284      2.442267
  C      -4.961270     -3.243504      2.042695
  C      -4.502882     -2.030363      2.533225
  F      -5.139600     -0.910903      2.139899
  C      -3.385393     -1.939860      3.392593
  C      -2.942426     -0.669395      3.969467
  O      -3.749421      0.262963      4.153118
  C      -1.498949     -0.380332      4.325080
  C      -2.743107     -3.139133      3.734645
  C      -5.496876     12.241166      2.423920
  C      -4.574870     11.047246      2.443411
  O      -3.575633     10.995733      1.736859
  C      -4.912068      9.897787      3.354076
  C      -6.056323      9.885142      4.170701
  C      -6.325976      8.798412      4.997446
  C      -5.441959      7.727402      5.006943
  F      -5.739993      6.682306      5.817398
  C      -4.282732      7.692702      4.212322
  C      -3.289216      6.584783      4.181986
  O      -2.328584      6.622513      3.418773
  C      -3.457187      5.376105      5.100220
  C      -4.048000      8.803003      3.386862
  C      -7.756311     -5.491931      4.199278
  C      -6.877549     -4.444390      4.840145
  O      -5.837060     -4.755868      5.413112
  C      -7.286645     -3.006332      4.729208
  C      -8.405110     -2.595677      3.982749
  C      -8.719982     -1.245161      3.865935
  C      -7.904812     -0.309255      4.492676
  F      -8.238735      0.997190      4.360653
  C      -6.786465     -0.667947      5.259360
  C      -5.841953      0.288287      5.931173
  O      -5.116490     -0.116994      6.830400
  C      -5.757760      1.738229      5.429347
  C      -6.506925     -2.036346      5.366186
  H      -2.563454     -7.734078      4.002682
  H      -4.173857     -6.935470      4.054041
  H      -3.338672     -7.139846      2.500898
  H      -4.711004     -5.373363      2.083168
  H      -5.817916     -3.253581      1.368740
  H      -0.973838     -0.223595      3.360337
  H      -1.015955     -1.251826      4.796216
  H      -1.882947     -3.137373      4.404357
  H      -5.564751     12.696338      3.424014
  H      -6.516925     11.945005      2.133801
  H      -5.114724     12.979769      1.711874
  H      -6.749227     10.726924      4.166459
  H      -7.209716      8.766393      5.634715
  H      -3.568583      5.705412      6.142241
  H      -4.388568      4.843624      4.850588
  H      -3.158435      8.809093      2.755563
  H      -8.780837     -5.443845      4.597994
  H      -7.334767     -6.483929      4.392568
  H      -7.827414     -5.329457      3.112246
  H      -9.037461     -3.329849      3.483238
  H      -9.585706     -0.904157      3.298087
  H      -6.652917      2.273732      5.803310
  H      -5.856051      1.725476      4.335569
  H      -5.640417     -2.349943      5.949266
  N      -2.707665      2.578803      3.025208
  N      -3.004101      3.206394      1.885407
  H      -1.903982      4.707091      4.023207
  H      -3.997532      3.216198      1.633952
  H      -2.401656      2.958707      1.097696
91
Coordinates from ORCA-job orca E -6562.696627611305
  N      -1.422115      0.837183      5.090448
  Mo     -2.843613      2.258655      4.754779
  N      -4.568925      2.434857      5.785289
  C      -4.522276      2.821708      7.203607
  C      -3.270594      2.253759      7.871049
  N      -2.085232      2.643880      7.070628
  C      -0.893031      1.785996      7.262306
  C      -1.024228      0.510710      6.464973
  C      -1.730113      4.066565      7.296766
  C      -1.268766      4.695734      5.999018
  N      -2.318787      4.463454      4.979504
  H      -0.050766     -0.012533      6.461029
  H      -1.749420     -0.178962      6.943317
  H      -0.028680      2.342619      6.873446
  H      -0.721651      1.586261      8.333791
  H      -1.072492      5.772368      6.130116
  H      -0.346812      4.221568      5.635482
  H      -2.614835      4.590080      7.682239
  H      -0.946570      4.155164      8.067600
  H      -5.404408      2.436348      7.736221
  H      -4.552270      3.924145      7.307475
  H      -3.346069      1.159159      7.869109
  H      -3.168997      2.606867      8.913424
  C      -3.135012     -6.945208      3.637349
  C      -2.456870     -5.612399      3.814233
  O      -1.377042     -5.500904      4.383485
  C      -3.165099     -4.392355      3.300496
  C      -4.289088     -4.457526      2.464194
  C      -4.944093     -3.296640      2.058638
  C      -4.497834     -2.072910      2.533303
  F      -5.162452     -0.965690      2.148930
  C      -3.368491     -1.958941      3.373679
  C      -2.942406     -0.675189      3.939242
  O      -3.766657      0.229873      4.153655
  C      -1.495708     -0.348098      4.246981
  C      -2.701204     -3.143661      3.717556
  C      -5.435454     12.277172      2.446462
  C      -4.515540     11.082299      2.482669
  O      -3.514458     11.020601      1.779445
  C      -4.874003      9.930032      3.381663
  C      -6.028127      9.921080      4.183538
  C      -6.316837      8.832180      5.001202
  C      -5.441726      7.754067      5.015311
  F      -5.756673      6.708169      5.818022
  C      -4.273270      7.714551      4.232815
  C      -3.288653      6.597998      4.205100
  O      -2.330535      6.625309      3.438360
  C      -3.466508      5.386219      5.118911
  C      -4.019671      8.827584      3.416918
  C      -7.742915     -5.507923      4.253990
  C      -6.869850     -4.444408      4.875342
  O      -5.829773     -4.740819      5.457132
  C      -7.293670     -3.011511      4.748313
  C      -8.414743     -2.622040      3.995404
  C      -8.741123     -1.276563      3.857165
  C      -7.934721     -0.323981      4.469268
  F      -8.281268      0.976263      4.314537
  C      -6.813060     -0.660467      5.242739
  C      -5.873793      0.309711      5.905353
  O      -5.152473     -0.083294      6.813127
  C      -5.789359      1.757163      5.393119
  C      -6.522836     -2.024952      5.371474
  H      -2.513530     -7.732163      4.076777
  H      -4.119375     -6.921269      4.133582
  H      -3.309108     -7.168620      2.573493
  H      -4.667759     -5.421890      2.125525
  H      -5.812004     -3.327279      1.399900
  H      -1.015130     -0.162037      3.264881
  H      -0.970765     -1.210546      4.688662
  H      -1.834833     -3.121200      4.379177
  H      -5.516217     12.736267      3.443447
  H      -6.452093     11.980880      2.143384
  H      -5.043203     13.012590      1.736565
  H      -6.714788     10.768021      4.176566
  H      -7.209076      8.805177      5.626838
  H      -3.577697      5.702820      6.163330
  H      -4.399039      4.861758      4.856725
  H      -3.123157      8.829632      2.795493
  H      -8.767581     -5.458345      4.652776
  H      -7.315054     -6.493742      4.464454
  H      -7.815304     -5.365796      3.164392
  H      -9.039192     -3.369963      3.506442
  H      -9.609098     -0.951770      3.283141
  H      -6.684328      2.294580      5.763452
  H      -5.881936      1.739269      4.299110
  H      -5.654787     -2.323578      5.960483
  N      -2.774981      2.606297      2.998493
  N      -3.067393      3.277676      1.878252
  H      -1.935387      4.684862      4.078839
  H      -4.055261      3.261437      1.602018
  H      -2.441179      3.031812      1.107177
91
Coordinates from ORCA-job orca E -6562.698201236977
  N      -1.446973      0.858042      5.088284
  Mo     -2.876391      2.269935      4.775383
  N      -4.592788      2.426227      5.824254
  C      -4.545209      2.814974      7.242158
  C      -3.289736      2.252222      7.903811
  N      -2.108779      2.641170      7.097561
  C      -0.927187      1.765873      7.280989
  C      -1.075180      0.500750      6.461620
  C      -1.747438      4.062080      7.323174
  C      -1.285341      4.690640      6.023898
  N      -2.331066      4.461619      4.993563
  H      -0.111154     -0.039216      6.462208
  H      -1.818165     -0.181778      6.921958
  H      -0.053229      2.316487      6.905450
  H      -0.762334      1.546074      8.349857
  H      -1.087282      5.767043      6.152754
  H      -0.363353      4.214309      5.663272
  H      -2.631599      4.588766      7.705459
  H      -0.966277      4.149304      8.096478
  H      -5.424359      2.427162      7.778070
  H      -4.578790      3.916886      7.344632
  H      -3.365188      1.158183      7.901140
  H      -3.184032      2.603314      8.946607
  C      -3.115573     -6.924764      3.578100
  C      -2.452942     -5.585641      3.771583
  O      -1.376328     -5.469717      4.345903
  C      -3.170154     -4.364955      3.269264
  C      -4.288433     -4.428176      2.425139
  C      -4.946696     -3.266344      2.026737
  C      -4.510435     -2.044594      2.516194
  F      -5.173375     -0.937217      2.130487
  C      -3.386927     -1.931776      3.364174
  C      -2.968834     -0.649772      3.939960
  O      -3.804216      0.241847      4.183914
  C      -1.517229     -0.303577      4.215917
  C      -2.717173     -3.117120      3.702044
  C      -5.371019     12.286780      2.409910
  C      -4.472210     11.075630      2.437401
  O      -3.462653     11.008795      1.746941
  C      -4.838042      9.933722      3.346497
  C      -5.990983      9.941116      4.150492
  C      -6.288306      8.860049      4.975265
  C      -5.422748      7.774299      4.995437
  F      -5.746812      6.735627      5.804002
  C      -4.255580      7.719170      4.213023
  C      -3.282296      6.593358      4.193635
  O      -2.317506      6.608170      3.434689
  C      -3.475638      5.392693      5.117332
  C      -3.992671      8.824613      3.389616
  C      -7.681103     -5.536413      4.270234
  C      -6.821721     -4.464229      4.896715
  O      -5.781934     -4.749729      5.483920
  C      -7.259860     -3.036205      4.772692
  C      -8.382523     -2.653743      4.017750
  C      -8.722173     -1.310575      3.886985
  C      -7.927299     -0.353974      4.508406
  F      -8.283925      0.944868      4.361566
  C      -6.806571     -0.684784      5.283976
  C      -5.882222      0.292195      5.953690
  O      -5.166478     -0.092256      6.869083
  C      -5.809653      1.738227      5.438254
  C      -6.501968     -2.046054      5.404614
  H      -2.486843     -7.708771      4.012278
  H      -4.102206     -6.919818      4.068627
  H      -3.281010     -7.138464      2.511130
  H      -4.657252     -5.390809      2.071213
  H      -5.807582     -3.294424      1.358728
  H      -1.070503     -0.081447      3.225023
  H      -0.961038     -1.165800      4.616757
  H      -1.852924     -3.096405      4.366381
  H      -5.442498     12.741434      3.410065
  H      -6.392646     12.009993      2.106926
  H      -4.966802     13.019452      1.703952
  H      -6.669845     10.794179      4.138194
  H      -7.179852      8.844331      5.602210
  H      -3.590872      5.723980      6.157076
  H      -4.411356      4.873086      4.857941
  H      -3.096657      8.814592      2.767581
  H      -8.707196     -5.500483      4.666500
  H      -7.242606     -6.517828      4.479076
  H      -7.752836     -5.391728      3.180905
  H      -8.998644     -3.404478      3.522806
  H      -9.591556     -0.991074      3.312224
  H      -6.707988      2.269429      5.809547
  H      -5.905347      1.716992      4.344034
  H      -5.632632     -2.338567      5.994726
  N      -2.844013      2.608613      3.022721
  N      -3.167725      3.230547      1.886383
  H      -1.914799      4.701825      4.061170
  H      -4.160230      3.189598      1.633196
  H      -2.553383      2.997695      1.102621
91
Coordinates from ORCA-job orca E -6562.698755566399
  N      -1.443786      0.877664      5.065344
  Mo     -2.893170      2.275246      4.780832
  N      -4.598351      2.425203      5.845629
  C      -4.542200      2.818390      7.261737
  C      -3.283768      2.254232      7.915302
  N      -2.108665      2.636067      7.097701
  C      -0.932163      1.750921      7.272256
  C      -1.089654      0.495984      6.436677
  C      -1.738400      4.055082      7.319707
  C      -1.279616      4.679180      6.017448
  N      -2.330046      4.452508      4.990292
  H      -0.133056     -0.056989      6.438028
  H      -1.845217     -0.181591      6.883649
  H      -0.053437      2.299460      6.904948
  H      -0.770002      1.516972      8.338524
  H      -1.077271      5.755121      6.142220
  H      -0.361134      4.198574      5.653705
  H      -2.618716      4.587092      7.703603
  H      -0.954364      4.139917      8.090285
  H      -5.419200      2.436200      7.805010
  H      -4.571144      3.920960      7.359371
  H      -3.363298      1.160788      7.916303
  H      -3.168271      2.607599      8.956338
  C      -3.039267     -6.925767      3.621885
  C      -2.388860     -5.578137      3.795610
  O      -1.306317     -5.445382      4.354890
  C      -3.132644     -4.369589      3.303764
  C      -4.263722     -4.451732      2.478485
  C      -4.944111     -3.300885      2.085846
  C      -4.516152     -2.071444      2.562991
  F      -5.198702     -0.974086      2.182890
  C      -3.380817     -1.940108      3.391538
  C      -2.970644     -0.649187      3.953619
  O      -3.818317      0.220615      4.231114
  C      -1.516205     -0.268279      4.174300
  C      -2.689838     -3.114048      3.724515
  C      -5.364042     12.280943      2.409357
  C      -4.473484     11.063548      2.425588
  O      -3.470053     10.991920      1.726743
  C      -4.832553      9.927049      3.344106
  C      -5.974712      9.943217      4.163251
  C      -6.266318      8.866854      4.996192
  C      -5.405687      7.777182      5.009487
  F      -5.724008      6.743114      5.826245
  C      -4.249251      7.713362      4.212040
  C      -3.282400      6.582563      4.185374
  O      -2.323377      6.590592      3.419085
  C      -3.471393      5.388209      5.117679
  C      -3.991847      8.814140      3.380720
  C      -7.705655     -5.505012      4.187130
  C      -6.848029     -4.447049      4.839793
  O      -5.807120     -4.745667      5.418819
  C      -7.281302     -3.015589      4.736747
  C      -8.401465     -2.618982      3.985165
  C      -8.738148     -1.273256      3.874114
  C      -7.942541     -0.327785      4.511302
  F      -8.294843      0.974505      4.382692
  C      -6.824926     -0.672682      5.284677
  C      -5.900418      0.294027      5.968372
  O      -5.194381     -0.099506      6.887326
  C      -5.819682      1.742822      5.460967
  C      -6.522897     -2.036420      5.385606
  H      -2.394827     -7.699753      4.050881
  H      -4.018009     -6.927971      4.128640
  H      -3.219483     -7.148289      2.559166
  H      -4.623640     -5.420715      2.132781
  H      -5.814270     -3.343427      1.430730
  H      -1.122158     -0.012900      3.169216
  H      -0.917528     -1.121217      4.531659
  H      -1.814179     -3.077844      4.373263
  H      -5.419266     12.736708      3.410118
  H      -6.391326     12.010690      2.120257
  H      -4.964183     13.010445      1.697674
  H      -6.649616     10.799452      4.156519
  H      -7.149557      8.857977      5.634887
  H      -3.576991      5.725916      6.156758
  H      -4.411101      4.870594      4.869003
  H      -3.103884      8.797371      2.747408
  H      -8.732445     -5.478478      4.582121
  H      -7.267290     -6.490819      4.374470
  H      -7.775396     -5.335472      3.101226
  H      -9.018366     -3.360656      3.477654
  H      -9.605612     -0.943383      3.302340
  H      -6.714818      2.277176      5.836042
  H      -5.918363      1.726625      4.366922
  H      -5.655421     -2.339313      5.973105
  N      -2.911668      2.590862      3.026047
  N      -3.255559      3.180078      1.878320
  H      -1.912822      4.692826      4.055651
  H      -4.247307      3.107488      1.629731
  H      -2.636760      2.952642      1.096586
91
Coordinates from ORCA-job orca E -6562.693886291787
  N      -1.404934      0.869210      4.996511
  Mo     -2.873803      2.269267      4.764606
  N      -4.537619      2.426664      5.868491
  C      -4.463574      2.804969      7.281955
  C      -3.192420      2.232589      7.897027
  N      -2.039521      2.617890      7.046469
  C      -0.867578      1.722682      7.195780
  C      -1.046199      0.475405      6.360059
  C      -1.654604      4.030776      7.281109
  C      -1.223183      4.666721      5.975076
  N      -2.293285      4.452388      4.969084
  H      -0.097263     -0.092019      6.359066
  H      -1.809616     -0.189897      6.813053
  H       0.011148      2.272928      6.830415
  H      -0.696338      1.474313      8.258117
  H      -1.006846      5.739297      6.103701
  H      -0.315713      4.187134      5.582112
  H      -2.524679      4.565235      7.684966
  H      -0.859246      4.098506      8.040156
  H      -5.329474      2.421453      7.842389
  H      -4.487686      3.906511      7.391622
  H      -3.275170      1.139418      7.892744
  H      -3.046538      2.576001      8.937497
  C      -2.951328     -6.962473      3.876859
  C      -2.305786     -5.605328      3.976845
  O      -1.210223     -5.442172      4.501466
  C      -3.079103     -4.424278      3.466361
  C      -4.241149     -4.551818      2.689627
  C      -4.953787     -3.426830      2.282812
  C      -4.522676     -2.174429      2.694727
  F      -5.241914     -1.100340      2.317880
  C      -3.359221     -2.000167      3.471183
  C      -2.948833     -0.684703      3.971908
  O      -3.799768      0.168070      4.273579
  C      -1.500908     -0.273840      4.112501
  C      -2.637834     -3.149251      3.821517
  C      -5.515036     12.222714      2.426928
  C      -4.590958     11.030265      2.444831
  O      -3.596267     10.977600      1.731957
  C      -4.910946      9.892822      3.375761
  C      -6.038223      9.891375      4.215011
  C      -6.291862      8.814003      5.058582
  C      -5.411409      7.740217      5.059989
  F      -5.696471      6.711352      5.896938
  C      -4.268106      7.692952      4.240508
  C      -3.274850      6.581195      4.193840
  O      -2.337995      6.603945      3.401683
  C      -3.431232      5.382442      5.120443
  C      -4.048741      8.795785      3.401770
  C      -7.851596     -5.364136      3.911034
  C      -6.972648     -4.364618      4.624861
  O      -5.947740     -4.721760      5.199815
  C      -7.364170     -2.917660      4.580781
  C      -8.464360     -2.460429      3.833684
  C      -8.763235     -1.103233      3.771891
  C      -7.949752     -0.203385      4.450633
  F      -8.268478      1.111582      4.364398
  C      -6.850483     -0.607678      5.222464
  C      -5.905537      0.306622      5.949618
  O      -5.221316     -0.137232      6.861796
  C      -5.771040      1.763759      5.476508
  C      -6.588107     -1.983652      5.275303
  H      -2.291325     -7.714226      4.321186
  H      -3.917622     -6.949194      4.408599
  H      -3.156751     -7.226973      2.828319
  H      -4.599604     -5.537944      2.394566
  H      -5.850878     -3.505972      1.668464
  H      -1.180049     -0.021904      3.079177
  H      -0.861439     -1.111420      4.440637
  H      -1.738022     -3.074810      4.434898
  H      -5.575216     12.685322      3.423965
  H      -6.536498     11.918225      2.150809
  H      -5.143201     12.956252      1.704473
  H      -6.729033     10.734505      4.216556
  H      -7.161349      8.792695      5.715678
  H      -3.527428      5.714783      6.162432
  H      -4.374503      4.865362      4.884652
  H      -3.171717      8.791638      2.752888
  H      -8.884440     -5.326273      4.287805
  H      -7.445443     -6.370738      4.055653
  H      -7.894093     -5.138017      2.833836
  H      -9.096315     -3.162630      3.289489
  H      -9.615364     -0.729288      3.203973
  H      -6.655946      2.309650      5.859462
  H      -5.875249      1.771826      4.382351
  H      -5.735308     -2.328721      5.861085
  N      -2.941034      2.599153      3.021676
  N      -3.253080      3.259729      1.894557
  H      -1.904718      4.686688      4.119364
  H      -4.239920      3.210183      1.623296
  H      -2.620125      3.032624      1.123970
91
Coordinates from ORCA-job orca E -6562.699642277515
  N      -1.433359      0.897448      5.009288
  Mo     -2.903595      2.289343      4.768659
  N      -4.599779      2.425928      5.842147
  C      -4.543815      2.798291      7.262301
  C      -3.283908      2.221141      7.900370
  N      -2.112711      2.609811      7.078051
  C      -0.942404      1.713438      7.239143
  C      -1.105461      0.478952      6.376401
  C      -1.734772      4.023150      7.324083
  C      -1.276348      4.665418      6.030508
  N      -2.327338      4.457971      4.998977
  H      -0.157682     -0.089381      6.381070
  H      -1.878216     -0.194558      6.800059
  H      -0.056698      2.264745      6.893401
  H      -0.790840      1.453090      8.300891
  H      -1.067184      5.738188      6.169889
  H      -0.360499      4.186785      5.657104
  H      -2.613148      4.553366      7.715020
  H      -0.951879      4.090924      8.097003
  H      -5.419559      2.409631      7.803060
  H      -4.570719      3.899159      7.376122
  H      -3.367798      1.127783      7.887591
  H      -3.158949      2.559483      8.945184
  C      -3.031004     -6.921659      3.686318
  C      -2.377687     -5.573220      3.845861
  O      -1.304986     -5.434321      4.422429
  C      -3.107574     -4.371244      3.318190
  C      -4.226342     -4.465870      2.477074
  C      -4.904248     -3.321795      2.060915
  C      -4.487196     -2.085674      2.531109
  F      -5.172764     -0.993787      2.139045
  C      -3.362412     -1.942404      3.370650
  C      -2.967300     -0.643202      3.924893
  O      -3.825798      0.204625      4.229476
  C      -1.516348     -0.232806      4.102093
  C      -2.670578     -3.109027      3.725517
  C      -5.365280     12.280545      2.406729
  C      -4.464885     11.070640      2.439317
  O      -3.458279     10.999892      1.745003
  C      -4.825319      9.935622      3.358917
  C      -5.971201      9.950622      4.172775
  C      -6.263176      8.875206      5.006711
  C      -5.400781      7.787001      5.024934
  F      -5.720391      6.756504      5.846060
  C      -4.240653      7.723794      4.232063
  C      -3.269817      6.595076      4.208151
  O      -2.312130      6.602568      3.440215
  C      -3.463566      5.397041      5.132738
  C      -3.982484      8.824441      3.400916
  C      -7.718081     -5.509817      4.236161
  C      -6.869597     -4.443533      4.887454
  O      -5.843635     -4.735229      5.495379
  C      -7.295288     -3.012945      4.751899
  C      -8.397760     -2.624084      3.970624
  C      -8.726235     -1.279150      3.831358
  C      -7.940579     -0.326388      4.470181
  F      -8.286104      0.974324      4.313194
  C      -6.840926     -0.663200      5.272277
  C      -5.927443      0.306872      5.966260
  O      -5.243637     -0.083262      6.903041
  C      -5.823025      1.750759      5.448810
  C      -6.546926     -2.026157      5.400202
  H      -2.401029     -7.689273      4.147051
  H      -4.021648     -6.908839      4.168867
  H      -3.187641     -7.165442      2.624445
  H      -4.579892     -5.440028      2.139609
  H      -5.766612     -3.375078      1.396323
  H      -1.174527      0.051195      3.085577
  H      -0.881981     -1.077413      4.417570
  H      -1.804489     -3.060791      4.386845
  H      -5.433806     12.742119      3.403814
  H      -6.387619     11.999160      2.110280
  H      -4.965180     13.008457      1.693613
  H      -6.647882     10.805317      4.161600
  H      -7.148446      8.866064      5.642620
  H      -3.571867      5.727574      6.173657
  H      -4.405567      4.886789      4.878189
  H      -3.091708      8.808064      2.771428
  H      -8.754079     -5.471168      4.605091
  H      -7.289185     -6.493968      4.451872
  H      -7.760021     -5.359938      3.145894
  H      -9.007510     -3.370774      3.461791
  H      -9.580348     -0.955480      3.236337
  H      -6.717019      2.293968      5.813643
  H      -5.912492      1.731540      4.353934
  H      -5.693562     -2.321649      6.011816
  N      -2.953259      2.624424      3.021157
  N      -3.293968      3.242165      1.886385
  H      -1.906824      4.717725      4.088848
  H      -4.282077      3.159168      1.626973
  H      -2.664564      3.034507      1.107621
91
Coordinates from ORCA-job orca E -6562.700029240567
  N      -1.447987      0.926493      4.972542
  Mo     -2.941805      2.304493      4.775366
  N      -4.631992      2.423543      5.860731
  C      -4.567650      2.783329      7.284575
  C      -3.304226      2.198508      7.907705
  N      -2.137969      2.591346      7.079321
  C      -0.969027      1.689029      7.224339
  C      -1.134736      0.474452      6.333467
  C      -1.753638      4.001675      7.333983
  C      -1.293710      4.650002      6.044528
  N      -2.346821      4.456113      5.010126
  H      -0.192181     -0.102431      6.331864
  H      -1.916379     -0.201107      6.737523
  H      -0.080903      2.244216      6.891540
  H      -0.820513      1.406508      8.280644
  H      -1.079619      5.720899      6.190452
  H      -0.380867      4.168648      5.667333
  H      -2.629027      4.533367      7.729699
  H      -0.969328      4.060656      8.106181
  H      -5.440347      2.390630      7.826830
  H      -4.592366      3.883279      7.407469
  H      -3.390623      1.105247      7.885601
  H      -3.169478      2.527135      8.954261
  C      -2.952727     -6.916598      3.683876
  C      -2.324359     -5.555994      3.842504
  O      -1.247254     -5.399027      4.406202
  C      -3.080844     -4.365929      3.324917
  C      -4.205194     -4.477988      2.493577
  C      -4.903507     -3.344350      2.081751
  C      -4.500948     -2.101858      2.547797
  F      -5.201806     -1.018675      2.157422
  C      -3.371207     -1.941407      3.376658
  C      -2.988464     -0.634625      3.924409
  O      -3.856225      0.190384      4.261993
  C      -1.540154     -0.189826      4.049162
  C      -2.658942     -3.096472      3.727292
  C      -5.294979     12.300779      2.388173
  C      -4.412213     11.078004      2.421654
  O      -3.408097     10.991063      1.725612
  C      -4.785233      9.951774      3.347218
  C      -5.930827      9.983641      4.161132
  C      -6.234954      8.915611      5.000291
  C      -5.384405      7.818247      5.024501
  F      -5.716170      6.793995      5.848419
  C      -4.224946      7.738590      4.232528
  C      -3.267586      6.599353      4.215247
  O      -2.310067      6.590597      3.446728
  C      -3.475254      5.407230      5.144817
  C      -3.954685      8.831745      3.395178
  C      -7.688306     -5.518961      4.232309
  C      -6.847410     -4.446359      4.883233
  O      -5.819253     -4.730128      5.491182
  C      -7.287784     -3.019742      4.754960
  C      -8.392164     -2.637290      3.972997
  C      -8.733325     -1.294776      3.840424
  C      -7.958238     -0.338366      4.486885
  F      -8.314906      0.960346      4.336703
  C      -6.858185     -0.669487      5.290414
  C      -5.954283      0.305700      5.989211
  O      -5.278023     -0.077394      6.934410
  C      -5.854777      1.748067      5.469219
  C      -6.551496     -2.029921      5.411931
  H      -2.303572     -7.673283      4.136034
  H      -3.939045     -6.925479      4.174651
  H      -3.113719     -7.160039      2.622609
  H      -4.545980     -5.457510      2.158597
  H      -5.769331     -3.411104      1.422868
  H      -1.252221      0.125327      3.025575
  H      -0.870310     -1.023219      4.317890
  H      -1.786267     -3.032699      4.378582
  H      -5.352609     12.766531      3.384092
  H      -6.322529     12.033967      2.096485
  H      -4.886848     13.020393      1.671187
  H      -6.598191     10.845602      4.145350
  H      -7.120772      8.919035      5.635483
  H      -3.577153      5.742289      6.184752
  H      -4.422911      4.906276      4.893227
  H      -3.064342      8.802227      2.765577
  H      -8.724088     -5.488394      4.602700
  H      -7.251404     -6.499773      4.446987
  H      -7.732960     -5.369034      3.142159
  H      -8.993156     -3.387014      3.458297
  H      -9.588749     -0.975871      3.244725
  H      -6.749598      2.290641      5.833713
  H      -5.942568      1.727078      4.374428
  H      -5.696186     -2.320404      6.023207
  N      -3.042182      2.633441      3.029329
  N      -3.406308      3.231324      1.893359
  H      -1.915681      4.708810      4.091618
  H      -4.392211      3.115898      1.637912
  H      -2.771617      3.044261      1.113706
91
Coordinates from ORCA-job orca E -6562.700437090995
  N      -1.452999      0.952271      4.924823
  Mo     -2.971623      2.315988      4.778786
  N      -4.650022      2.414463      5.882353
  C      -4.575414      2.759827      7.309431
  C      -3.305169      2.169452      7.910329
  N      -2.148433      2.568971      7.069917
  C      -0.980395      1.660904      7.195778
  C      -1.150602      0.467796      6.277627
  C      -1.757201      3.975702      7.334294
  C      -1.302268      4.634499      6.049022
  N      -2.361175      4.457076      5.015834
  H      -0.213777     -0.118442      6.269114
  H      -1.941451     -0.208095      6.663726
  H      -0.090494      2.220742      6.875931
  H      -0.833818      1.355082      8.245721
  H      -1.082780      5.702952      6.204457
  H      -0.393939      4.152868      5.661128
  H      -2.627957      4.507506      7.740578
  H      -0.968040      4.023823      8.102071
  H      -5.442009      2.360142      7.855508
  H      -4.599848      3.858655      7.443454
  H      -3.392028      1.076337      7.878861
  H      -3.154591      2.487547      8.957779
  C      -2.866867     -6.915797      3.729281
  C      -2.262668     -5.542691      3.875145
  O      -1.183218     -5.363356      4.427664
  C      -3.044315     -4.368832      3.357689
  C      -4.174655     -4.504759      2.538174
  C      -4.893277     -3.385045      2.122493
  C      -4.504397     -2.132870      2.574024
  F      -5.221752     -1.060954      2.181229
  C      -3.369831     -1.949281      3.389827
  C      -2.999953     -0.631551      3.922491
  O      -3.874179      0.169491      4.296726
  C      -1.559071     -0.150632      3.987705
  C      -2.636525     -3.089322      3.743852
  C      -5.256575     12.310725      2.371869
  C      -4.385019     11.079964      2.407631
  O      -3.390266     10.976268      1.700597
  C      -4.762241      9.963260      3.343153
  C      -5.901894     10.010895      4.164909
  C      -6.210025      8.950712      5.012561
  C      -5.369482      7.845658      5.037829
  F      -5.705254      6.828835      5.869277
  C      -4.216505      7.750515      4.238662
  C      -3.270737      6.602525      4.221203
  O      -2.316798      6.581420      3.448073
  C      -3.482340      5.417300      5.158914
  C      -3.941959      8.835961      3.392553
  C      -7.698556     -5.509433      4.194717
  C      -6.860612     -4.440185      4.854948
  O      -5.832660     -4.726065      5.462312
  C      -7.302541     -3.013370      4.735421
  C      -8.401605     -2.625428      3.948345
  C      -8.743621     -1.282183      3.825042
  C      -7.974699     -0.330537      4.486023
  F      -8.332281      0.969413      4.346007
  C      -6.880507     -0.667791      5.294601
  C      -5.982458      0.302572      6.006730
  O      -5.317683     -0.083721      6.958932
  C      -5.875049      1.744225      5.489404
  C      -6.573153     -2.028711      5.407089
  H      -2.201103     -7.656953      4.183025
  H      -3.850573     -6.941510      4.224100
  H      -3.027550     -7.169074      2.670246
  H      -4.504059     -5.492205      2.215233
  H      -5.763722     -3.470402      1.471838
  H      -1.333234      0.192012      2.957591
  H      -0.854480     -0.970855      4.205363
  H      -1.757720     -3.004396      4.384439
  H      -5.300085     12.785207      3.364436
  H      -6.289388     12.051661      2.092184
  H      -4.848371     13.020279      1.644976
  H      -6.561267     10.878958      4.148024
  H      -7.091479      8.965655      5.653629
  H      -3.572063      5.759146      6.197837
  H      -4.436268      4.923478      4.917788
  H      -3.056641      8.794000      2.756609
  H      -8.736129     -5.480539      4.560035
  H      -7.262470     -6.491313      4.405993
  H      -7.737661     -5.353546      3.105126
  H      -8.997593     -3.371028      3.421959
  H      -9.594920     -0.959267      3.225610
  H      -6.768677      2.289995      5.853478
  H      -5.960358      1.725922      4.394611
  H      -5.721573     -2.322251      6.022039
  N      -3.121731      2.648613      3.038142
  N      -3.501214      3.241337      1.906322
  H      -1.932336      4.713006      4.099264
  H      -4.482311      3.097757      1.647148
  H      -2.856665      3.088285      1.127440
91
Coordinates from ORCA-job orca E -6562.700693677471
  N      -1.440236      0.957853      4.897775
  Mo     -2.971333      2.318192      4.791576
  N      -4.634990      2.408885      5.911735
  C      -4.552937      2.740308      7.339965
  C      -3.277727      2.143019      7.920058
  N      -2.130924      2.546269      7.066950
  C      -0.964218      1.632942      7.177322
  C      -1.139417      0.454802      6.243655
  C      -1.732870      3.948171      7.343606
  C      -1.280148      4.618863      6.065846
  N      -2.341918      4.459280      5.033017
  H      -0.207421     -0.139311      6.230479
  H      -1.937008     -0.219104      6.620422
  H      -0.073380      2.196352      6.866254
  H      -0.818563      1.310769      8.222365
  H      -1.054447      5.684084      6.234148
  H      -0.375533      4.138777      5.667156
  H      -2.599433      4.479758      7.759594
  H      -0.940225      3.984119      8.108381
  H      -5.414383      2.334013      7.888612
  H      -4.576437      3.838119      7.486074
  H      -3.365951      1.050224      7.882226
  H      -3.109636      2.452540      8.967293
  C      -2.785918     -6.925006      3.759490
  C      -2.206565     -5.542183      3.912996
  O      -1.126093     -5.348057      4.458662
  C      -3.006981     -4.379827      3.398988
  C      -4.145321     -4.533124      2.593741
  C      -4.880117     -3.424029      2.178191
  C      -4.497007     -2.164684      2.614286
  F      -5.229422     -1.100581      2.226689
  C      -3.355578     -1.964359      3.414856
  C      -2.991683     -0.637616      3.931797
  O      -3.865383      0.148730      4.334437
  C      -1.559393     -0.134975      3.952447
  C      -2.606752     -3.093414      3.770458
  C      -5.315288     12.261077      2.319408
  C      -4.433635     11.037821      2.364459
  O      -3.448576     10.928871      1.644820
  C      -4.787173      9.936569      3.327240
  C      -5.913790      9.991620      4.166670
  C      -6.200428      8.945047      5.038265
  C      -5.352437      7.845833      5.069113
  F      -5.665986      6.843437      5.926556
  C      -4.212088      7.743696      4.252906
  C      -3.259952      6.601208      4.238621
  O      -2.315142      6.575810      3.454386
  C      -3.458102      5.422400      5.187618
  C      -3.958591      8.815936      3.383619
  C      -7.768169     -5.449940      4.115931
  C      -6.922910     -4.398269      4.794351
  O      -5.902827     -4.702354      5.406109
  C      -7.350274     -2.965591      4.691570
  C      -8.438716     -2.555237      3.901097
  C      -8.766032     -1.206991      3.793954
  C      -7.993146     -0.272244      4.474048
  F      -8.337845      1.033186      4.350274
  C      -6.908619     -0.632166      5.285938
  C      -6.005866      0.318400      6.018042
  O      -5.357637     -0.085337      6.974590
  C      -5.869134      1.760612      5.510643
  C      -6.616623     -1.997812      5.382643
  H      -2.108160     -7.655532      4.212729
  H      -3.771480     -6.973322      4.248785
  H      -2.936053     -7.175491      2.698060
  H      -4.469118     -5.526408      2.283189
  H      -5.757979     -3.523151      1.539486
  H      -1.380616      0.224734      2.918570
  H      -0.833652     -0.946794      4.131570
  H      -1.721117     -2.993533      4.399419
  H      -5.347486     12.754107      3.303387
  H      -6.349997     11.988087      2.061093
  H      -4.924215     12.959722      1.572822
  H      -6.579020     10.855008      4.144599
  H      -7.070742      8.965615      5.694234
  H      -3.533103      5.771623      6.225574
  H      -4.416322      4.929152      4.962597
  H      -3.083523      8.768079      2.734106
  H      -8.809068     -5.411427      4.470457
  H      -7.346276     -6.439378      4.320629
  H      -7.793234     -5.281624      3.027753
  H      -9.037921     -3.286597      3.358539
  H      -9.609311     -0.867449      3.192364
  H      -6.755666      2.318454      5.874976
  H      -5.950987      1.751906      4.415515
  H      -5.773179     -2.306897      6.001195
  N      -3.152517      2.662396      3.057582
  N      -3.530613      3.258831      1.928263
  H      -1.912318      4.726481      4.129645
  H      -4.507839      3.107497      1.660772
  H      -2.877055      3.135786      1.151787
91
Coordinates from ORCA-job orca E -6562.700777721137
  N      -1.452198      0.957492      4.916275
  Mo     -2.981052      2.319559      4.805436
  N      -4.650348      2.419481      5.916696
  C      -4.571510      2.760398      7.343936
  C      -3.304148      2.156106      7.935298
  N      -2.150580      2.545435      7.084800
  C      -0.991172      1.622315      7.202706
  C      -1.168314      0.447123      6.263836
  C      -1.744061      3.945958      7.359104
  C      -1.281045      4.610026      6.081290
  N      -2.339089      4.453116      5.044503
  H      -0.241595     -0.155147      6.256454
  H      -1.974573     -0.221407      6.631487
  H      -0.093318      2.179177      6.900108
  H      -0.856745      1.297352      8.248234
  H      -1.051248      5.674656      6.247614
  H      -0.376994      4.124249      5.688495
  H      -2.609220      4.484249      7.769080
  H      -0.954747      3.979668      8.127651
  H      -5.439287      2.365104      7.890899
  H      -4.586115      3.859114      7.481964
  H      -3.400731      1.064043      7.904383
  H      -3.138312      2.471311      8.981350
  C      -2.737150     -6.923578      3.642754
  C      -2.184957     -5.535536      3.845356
  O      -1.118215     -5.339833      4.416892
  C      -2.998249     -4.370566      3.357175
  C      -4.132023     -4.517464      2.544437
  C      -4.872682     -3.406055      2.144975
  C      -4.499564     -2.151704      2.603553
  F      -5.233553     -1.085259      2.225179
  C      -3.363138     -1.957213      3.412922
  C      -3.004480     -0.634610      3.944876
  O      -3.879247      0.147885      4.357368
  C      -1.571917     -0.128037      3.963279
  C      -2.609848     -3.087958      3.754629
  C      -5.297646     12.246949      2.290990
  C      -4.424518     11.017591      2.333281
  O      -3.447869     10.897584      1.603992
  C      -4.774889      9.924718      3.306709
  C      -5.893043      9.991819      4.156487
  C      -6.177301      8.953074      5.038099
  C      -5.335076      7.849502      5.068451
  F      -5.645225      6.854645      5.935606
  C      -4.203001      7.735449      4.242189
  C      -3.257691      6.587467      4.229133
  O      -2.313919      6.554128      3.443952
  C      -3.451789      5.420436      5.193898
  C      -3.951573      8.800070      3.363000
  C      -7.758233     -5.458285      4.184483
  C      -6.926029     -4.395200      4.861214
  O      -5.907094     -4.686014      5.480639
  C      -7.354402     -2.965213      4.733540
  C      -8.436591     -2.566143      3.929073
  C      -8.766245     -1.219805      3.805161
  C      -8.001812     -0.276285      4.482735
  F      -8.348379      1.027017      4.343585
  C      -6.923286     -0.625291      5.307085
  C      -6.030220      0.333593      6.039246
  O      -5.387679     -0.062827      7.002358
  C      -5.886069      1.770940      5.518627
  C      -6.627919     -1.988518      5.419211
  H      -2.054602     -7.654616      4.087880
  H      -3.730527     -7.004975      4.110608
  H      -2.862435     -7.146207      2.571950
  H      -4.446228     -5.507012      2.212870
  H      -5.745510     -3.499820      1.498661
  H      -1.397290      0.242381      2.932692
  H      -0.843895     -0.939702      4.132324
  H      -1.726067     -2.993345      4.387059
  H      -5.314955     12.745833      3.272257
  H      -6.337290     11.980194      2.045993
  H      -4.909971     12.938431      1.535987
  H      -6.553488     10.858925      4.135126
  H      -7.041044      8.983263      5.702332
  H      -3.518283      5.782068      6.228403
  H      -4.412269      4.926511      4.980754
  H      -3.082711      8.743353      2.705907
  H      -8.802998     -5.421453      4.527535
  H      -7.333434     -6.443292      4.404102
  H      -7.772677     -5.301764      3.094295
  H      -9.029717     -3.304910      3.389851
  H      -9.605428     -0.888590      3.193302
  H      -6.771081      2.334714      5.876947
  H      -5.965557      1.753057      4.423290
  H      -5.789484     -2.289474      6.048459
  N      -3.159901      2.657430      3.068620
  N      -3.528072      3.244083      1.931935
  H      -1.909095      4.723507      4.141954
  H      -4.499244      3.081042      1.649873
  H      -2.860720      3.134780      1.165402
91
Coordinates from ORCA-job orca E -6562.700925604861
  N      -1.433971      0.942822      4.950445
  Mo     -2.956723      2.312753      4.833237
  N      -4.626891      2.420587      5.942279
  C      -4.549399      2.756970      7.370839
  C      -3.281743      2.153094      7.962539
  N      -2.127771      2.543745      7.112488
  C      -0.967164      1.623124      7.232790
  C      -1.141711      0.442970      6.300298
  C      -1.722354      3.944663      7.388005
  C      -1.255685      4.608717      6.110937
  N      -2.311352      4.452212      5.072817
  H      -0.211584     -0.154030      6.293639
  H      -1.942875     -0.228636      6.673392
  H      -0.071073      2.181327      6.927344
  H      -0.831843      1.303110      8.279688
  H      -1.025762      5.673158      6.278866
  H      -0.350468      4.123367      5.720415
  H      -2.588436      4.482750      7.795834
  H      -0.934827      3.978494      8.158561
  H      -5.417085      2.358116      7.915592
  H      -4.565885      3.855018      7.512672
  H      -3.377017      1.060777      7.931455
  H      -3.115984      2.468129      9.008638
  C      -2.681684     -6.928224      3.544692
  C      -2.155600     -5.538033      3.796423
  O      -1.096496     -5.343679      4.382546
  C      -2.987707     -4.370979      3.346413
  C      -4.134084     -4.511969      2.550410
  C      -4.885564     -3.398551      2.177980
  C      -4.507683     -2.148336      2.643493
  F      -5.249768     -1.080052      2.286937
  C      -3.360169     -1.959486      3.439075
  C      -2.992313     -0.639957      3.971543
  O      -3.861010      0.152159      4.376363
  C      -1.555621     -0.148997      4.004289
  C      -2.599700     -3.092511      3.757346
  C      -5.374907     12.168428      2.209436
  C      -4.483460     10.953129      2.270688
  O      -3.514149     10.829121      1.532304
  C      -4.810835      9.875815      3.269169
  C      -5.921264      9.946851      4.128645
  C      -6.184382      8.923018      5.033791
  C      -5.329129      7.829940      5.077208
  F      -5.617795      6.850476      5.968857
  C      -4.203823      7.712389      4.241804
  C      -3.245061      6.575237      4.242096
  O      -2.306967      6.538768      3.450298
  C      -3.425168      5.417393      5.220516
  C      -3.973584      8.762230      3.339359
  C      -7.829319     -5.402702      4.134867
  C      -6.982385     -4.356254      4.819016
  O      -5.960824     -4.664009      5.425721
  C      -7.398646     -2.920690      4.713545
  C      -8.484355     -2.500788      3.924841
  C      -8.801683     -1.149716      3.821264
  C      -8.020791     -0.222482      4.502395
  F      -8.355027      1.085865      4.382727
  C      -6.937706     -0.592506      5.311493
  C      -6.026031      0.348112      6.044388
  O      -5.388021     -0.062096      7.004653
  C      -5.868485      1.788952      5.536454
  C      -6.655536     -1.959987      5.404226
  H      -1.989248     -7.660853      3.971591
  H      -3.677389     -7.044979      3.999925
  H      -2.792863     -7.117208      2.465850
  H      -4.449517     -5.498196      2.210286
  H      -5.768672     -3.487390      1.545094
  H      -1.361481      0.210352      2.973186
  H      -0.840090     -0.967789      4.190704
  H      -1.706195     -3.004041      4.376809
  H      -5.390366     12.688581      3.179571
  H      -6.412806     11.881234      1.980507
  H      -5.004511     12.848519      1.435642
  H      -6.591945     10.805748      4.096827
  H      -7.041250      8.956876      5.706716
  H      -3.483581      5.789776      6.251588
  H      -4.385832      4.917854      5.021362
  H      -3.110466      8.702851      2.674947
  H      -8.871596     -5.359552      4.484677
  H      -7.412915     -6.394459      4.339755
  H      -7.848684     -5.232757      3.046761
  H      -9.089817     -3.226807      3.381940
  H      -9.643478     -0.802423      3.222007
  H      -6.748152      2.358201      5.898634
  H      -5.947093      1.781638      4.440710
  H      -5.813909     -2.277417      6.020966
  N      -3.120532      2.661979      3.095583
  N      -3.477586      3.252596      1.958468
  H      -1.883731      4.721971      4.169239
  H      -4.448530      3.101023      1.670189
  H      -2.806332      3.150815      1.194542
91
Coordinates from ORCA-job orca E -6562.701007453107
  N      -1.413222      0.938808      4.981959
  Mo     -2.933989      2.312336      4.868555
  N      -4.604277      2.425760      5.975668
  C      -4.528230      2.756469      7.405213
  C      -3.263829      2.145261      7.997114
  N      -2.107719      2.534750      7.149382
  C      -0.948938      1.611514      7.267408
  C      -1.123567      0.434606      6.330775
  C      -1.699348      3.933446      7.433143
  C      -1.223255      4.599393      6.161207
  N      -2.273967      4.450581      5.117644
  H      -0.193929     -0.163169      6.323209
  H      -1.925569     -0.238095      6.700064
  H      -0.051611      2.169609      6.965500
  H      -0.815942      1.287654      8.313407
  H      -0.989438      5.662235      6.334202
  H      -0.317706      4.111501      5.774821
  H      -2.565866      4.473213      7.837343
  H      -0.916186      3.961598      8.208447
  H      -5.398031      2.357547      7.946641
  H      -4.541717      3.854069      7.551769
  H      -3.362832      1.053222      7.963059
  H      -3.098023      2.456758      9.044175
  C      -2.627435     -6.916645      3.433029
  C      -2.129951     -5.529211      3.749168
  O      -1.072623     -5.341396      4.340772
  C      -2.970088     -4.358728      3.324778
  C      -4.125179     -4.492986      2.540169
  C      -4.885186     -3.377602      2.192827
  C      -4.505206     -2.132454      2.669613
  F      -5.254288     -1.062875      2.333158
  C      -3.348895     -1.949898      3.454911
  C      -2.977270     -0.635346      3.995941
  O      -3.842948      0.158515      4.403662
  C      -1.537757     -0.151334      4.034580
  C      -2.581334     -3.084869      3.748407
  C      -5.465068     12.056714      2.097391
  C      -4.553931     10.857626      2.182269
  O      -3.586490     10.731598      1.441713
  C      -4.850602      9.806247      3.217393
  C      -5.950408      9.886371      4.089479
  C      -6.185417      8.886937      5.028953
  C      -5.312856      7.808735      5.093322
  F      -5.573118      6.853893      6.019712
  C      -4.197156      7.682747      4.245902
  C      -3.222207      6.559361      4.266102
  O      -2.289726      6.516442      3.468134
  C      -3.387735      5.415519      5.262459
  C      -3.994952      8.708273      3.309605
  C      -7.903591     -5.336155      4.083221
  C      -7.041011     -4.310234      4.778590
  O      -6.023044     -4.639920      5.379851
  C      -7.444107     -2.868708      4.700153
  C      -8.532018     -2.425898      3.927469
  C      -8.835520     -1.070112      3.845655
  C      -8.038077     -0.161121      4.531716
  F      -8.356664      1.152842      4.431774
  C      -6.952834     -0.554013      5.326773
  C      -6.025691      0.368280      6.063334
  O      -5.389427     -0.056573      7.018220
  C      -5.852440      1.811269      5.564602
  C      -6.684873     -1.925757      5.398708
  H      -1.926299     -7.653779      3.837351
  H      -3.626338     -7.072510      3.869476
  H      -2.721307     -7.060882      2.345516
  H      -4.443024     -5.475798      2.192577
  H      -5.777219     -3.461268      1.571904
  H      -1.335056      0.207399      3.004966
  H      -0.827681     -0.973869      4.225165
  H      -1.683563     -3.004328      4.362492
  H      -5.480247     12.602374      3.053460
  H      -6.500044     11.746436      1.886413
  H      -5.113050     12.721714      1.302208
  H      -6.634884     10.733525      4.041147
  H      -7.033207      8.928888      5.712805
  H      -3.436461      5.801104      6.289120
  H      -4.349495      4.911331      5.079449
  H      -3.139867      8.641960      2.635557
  H      -8.943610     -5.286524      4.438910
  H      -7.497567     -6.335652      4.270546
  H      -7.926232     -5.148958      2.998049
  H      -9.149525     -3.137689      3.379291
  H      -9.678558     -0.705260      3.258687
  H      -6.725349      2.387439      5.931462
  H      -5.932205      1.812476      4.468608
  H      -5.841880     -2.261659      6.003633
  N      -3.096462      2.668995      3.131019
  N      -3.445060      3.255274      1.990291
  H      -1.835491      4.710240      4.212360
  H      -4.416576      3.114210      1.699336
  H      -2.772328      3.151473      1.228094
91
Coordinates from ORCA-job orca E -6562.701075991328
  N      -1.391671      0.942464      4.994032
  Mo     -2.912730      2.321113      4.895184
  N      -4.585730      2.430786      5.998833
  C      -4.512648      2.746945      7.432468
  C      -3.251118      2.126363      8.020503
  N      -2.090832      2.518354      7.177947
  C      -0.936301      1.588655      7.290568
  C      -1.111113      0.423270      6.339754
  C      -1.674375      3.912338      7.474820
  C      -1.188374      4.585542      6.209659
  N      -2.237065      4.453602      5.162373
  H      -0.183279     -0.177410      6.330550
  H      -1.917004     -0.250948      6.697652
  H      -0.035118      2.146276      6.999736
  H      -0.810217      1.252415      8.333500
  H      -0.948113      5.645192      6.393427
  H      -0.284800      4.094533      5.822642
  H      -2.539446      4.454847      7.878503
  H      -0.895058      3.928583      8.254171
  H      -5.384183      2.343273      7.967385
  H      -4.524387      3.843055      7.590256
  H      -3.353651      1.034875      7.976725
  H      -3.085525      2.427930      9.070330
  C      -2.591665     -6.899057      3.363367
  C      -2.114664     -5.513551      3.717467
  O      -1.067716     -5.329482      4.328573
  C      -2.961981     -4.341787      3.311638
  C      -4.125452     -4.472336      2.538687
  C      -4.889452     -3.355146      2.206149
  C      -4.504131     -2.112428      2.684662
  F      -5.254250     -1.041068      2.356439
  C      -3.340085     -1.933521      3.460312
  C      -2.964563     -0.621609      4.003237
  O      -3.826755      0.172226      4.417234
  C      -1.523355     -0.140475      4.038861
  C      -2.569856     -3.070201      3.739010
  C      -5.558351     11.944557      1.999156
  C      -4.633757     10.757055      2.099078
  O      -3.684532     10.615512      1.337999
  C      -4.893197      9.737691      3.175516
  C      -5.973854      9.834101      4.069641
  C      -6.174701      8.864353      5.047398
  C      -5.287078      7.799636      5.127689
  F      -5.513875      6.873532      6.091199
  C      -4.189106      7.658766      4.259780
  C      -3.201322      6.547339      4.294904
  O      -2.273415      6.499040      3.491687
  C      -3.347736      5.422129      5.314096
  C      -4.021039      8.654370      3.285287
  C      -7.979131     -5.286999      4.069537
  C      -7.097251     -4.275137      4.761377
  O      -6.087784     -4.622083      5.367060
  C      -7.477953     -2.827205      4.684474
  C      -8.553096     -2.365696      3.904944
  C      -8.834890     -1.005091      3.824169
  C      -8.028974     -0.110754      4.519347
  F      -8.323324      1.208782      4.419420
  C      -6.957621     -0.522430      5.323002
  C      -6.024816      0.385984      6.068980
  O      -5.400813     -0.047549      7.027892
  C      -5.836234      1.829621      5.576973
  C      -6.710389     -1.898113      5.392842
  H      -1.886754     -7.636502      3.760462
  H      -3.594577     -7.080862      3.779690
  H      -2.666574     -7.017392      2.271205
  H      -4.448021     -5.453382      2.190471
  H      -5.788972     -3.435676      1.595730
  H      -1.321890      0.224864      3.011590
  H      -0.814574     -0.965900      4.222278
  H      -1.668375     -2.995148      4.348026
  H      -5.555416     12.519364      2.938165
  H      -6.595094     11.618774      1.823598
  H      -5.232398     12.587553      1.175297
  H      -6.670203     10.670689      4.008587
  H      -7.007074      8.919300      5.749005
  H      -3.374306      5.826655      6.334366
  H      -4.313846      4.916242      5.160715
  H      -3.180598      8.575842      2.594362
  H      -9.018613     -5.215008      4.422939
  H      -7.593269     -6.293460      4.261851
  H      -7.996116     -5.104081      2.983506
  H      -9.176920     -3.066580      3.349952
  H      -9.667045     -0.625588      3.231004
  H      -6.706669      2.411743      5.940224
  H      -5.908097      1.836203      4.480329
  H      -5.877520     -2.249163      6.003051
  N      -3.074745      2.695809      3.159778
  N      -3.409983      3.282944      2.019069
  H      -1.798381      4.721080      4.261035
  H      -4.375222      3.141133      1.709308
  H      -2.720742      3.210774      1.268416
91
Coordinates from ORCA-job orca E -6562.701117436675
  N      -1.385107      0.946404      5.006524
  Mo     -2.906097      2.327597      4.915057
  N      -4.581523      2.435365      6.016416
  C      -4.509580      2.745224      7.452153
  C      -3.252815      2.115449      8.039450
  N      -2.088869      2.506932      7.201614
  C      -0.938689      1.570475      7.311534
  C      -1.115401      0.414112      6.349871
  C      -1.667227      3.897508      7.506727
  C      -1.173399      4.573880      6.246340
  N      -2.219038      4.454403      5.194017
  H      -0.191001     -0.191998      6.340403
  H      -1.927131     -0.258013      6.698368
  H      -0.033303      2.125662      7.029360
  H      -0.818779      1.224788      8.352126
  H      -0.927017      5.631088      6.436079
  H      -0.271748      4.078408      5.860360
  H      -2.531742      4.442631      7.908617
  H      -0.891349      3.905718      8.289433
  H      -5.384065      2.343895      7.983718
  H      -4.515448      3.840787      7.614496
  H      -3.360063      1.024653      7.989547
  H      -3.088353      2.410677      9.091232
  C      -2.559789     -6.879942      3.304901
  C      -2.093974     -5.495515      3.677967
  O      -1.050162     -5.312499      4.294861
  C      -2.948394     -4.324306      3.285679
  C      -4.115669     -4.453650      2.518163
  C      -4.885084     -3.336505      2.197968
  C      -4.501267     -2.095612      2.682604
  F      -5.254431     -1.024771      2.361410
  C      -3.334673     -1.918009      3.455162
  C      -2.960139     -0.609657      4.006521
  O      -3.822616      0.182531      4.427306
  C      -1.517813     -0.128920      4.042636
  C      -2.559750     -3.054388      3.721387
  C      -5.592927     11.874784      1.924381
  C      -4.655184     10.699786      2.047103
  O      -3.710947     10.548253      1.281747
  C      -4.903113      9.698567      3.143116
  C      -5.978697      9.805836      4.042049
  C      -6.168437      8.853049      5.038629
  C      -5.275304      7.794070      5.132215
  F      -5.491575      6.884441      6.113692
  C      -4.182476      7.642624      4.259746
  C      -3.189967      6.536012      4.307559
  O      -2.258952      6.485407      3.507872
  C      -3.326664      5.427656      5.345911
  C      -4.024918      8.621657      3.266925
  C      -8.009966     -5.260816      4.054709
  C      -7.122683     -4.257165      4.751845
  O      -6.101751     -4.609683      5.334527
  C      -7.500170     -2.807807      4.689456
  C      -8.584461     -2.338320      3.927475
  C      -8.865270     -0.976715      3.861299
  C      -8.048203     -0.089186      4.552183
  F      -8.345117      1.231325      4.470091
  C      -6.965704     -0.509242      5.337231
  C      -6.023050      0.391420      6.080452
  O      -5.389561     -0.050648      7.029151
  C      -5.833086      1.836500      5.594233
  C      -6.720983     -1.885823      5.394165
  H      -1.849001     -7.616747      3.692598
  H      -3.561168     -7.077579      3.716847
  H      -2.632231     -6.982900      2.210953
  H      -4.436167     -5.433043      2.163364
  H      -5.787210     -3.415532      1.591194
  H      -1.316162      0.243723      3.018263
  H      -0.809427     -0.956276      4.219817
  H      -1.655464     -2.981214      4.326629
  H      -5.595062     12.468536      2.851535
  H      -6.626381     11.534403      1.757012
  H      -5.275248     12.504294      1.087000
  H      -6.679634     10.637721      3.970282
  H      -6.996424      8.916911      5.744653
  H      -3.339005      5.849775      6.359470
  H      -4.295952      4.922029      5.213499
  H      -3.188576      8.534739      2.572032
  H      -9.045430     -5.196970      4.421123
  H      -7.619489     -6.269032      4.227285
  H      -8.040032     -5.061552      2.971783
  H      -9.217518     -3.033875      3.376339
  H      -9.705707     -0.591511      3.283700
  H      -6.701877      2.418452      5.961966
  H      -5.907202      1.847465      4.498067
  H      -5.881162     -2.243852      5.990768
  N      -3.067017      2.713294      3.181534
  N      -3.390925      3.304153      2.041379
  H      -1.776603      4.721468      4.298489
  H      -4.353192      3.166634      1.720733
  H      -2.692965      3.241357      1.298028
91
Coordinates from ORCA-job orca E -6562.701165747451
  N      -1.381600      0.952029      5.008926
  Mo     -2.897911      2.338168      4.919140
  N      -4.577632      2.442882      6.015653
  C      -4.508133      2.744857      7.453603
  C      -3.255932      2.107685      8.041930
  N      -2.086835      2.499484      7.212650
  C      -0.942125      1.556515      7.320658
  C      -1.121622      0.408221      6.349652
  C      -1.659546      3.886196      7.524442
  C      -1.159728      4.565635      6.267619
  N      -2.204680      4.457920      5.213373
  H      -0.200515     -0.202964      6.339367
  H      -1.938711     -0.261324      6.690348
  H      -0.032361      2.108238      7.045788
  H      -0.827695      1.202372      8.359057
  H      -0.907206      5.620417      6.462415
  H      -0.261161      4.065439      5.880491
  H      -2.522894      4.433845      7.925970
  H      -0.885665      3.887349      8.309037
  H      -5.386069      2.345330      7.980831
  H      -4.509535      3.839709      7.620988
  H      -3.366796      1.017819      7.984331
  H      -3.096312      2.395937      9.096539
  C      -2.589932     -6.863836      3.306617
  C      -2.108168     -5.479876      3.660632
  O      -1.056634     -5.299425      4.265084
  C      -2.959779     -4.306006      3.270382
  C      -4.131109     -4.431463      2.508293
  C      -4.897645     -3.311313      2.191248
  C      -4.507039     -2.071371      2.673064
  F      -5.258882     -0.998362      2.355781
  C      -3.336682     -1.897844      3.441084
  C      -2.957594     -0.592269      3.994385
  O      -3.818879      0.201244      4.415393
  C      -1.513839     -0.114992      4.034876
  C      -2.565673     -3.037353      3.704963
  C      -5.620913     11.838186      1.898316
  C      -4.677768     10.668209      2.027595
  O      -3.736949     10.513146      1.258773
  C      -4.914652      9.677652      3.135620
  C      -5.987202      9.787918      4.037793
  C      -6.167413      8.844093      5.044689
  C      -5.267981      7.791130      5.145219
  F      -5.475819      6.889817      6.136201
  C      -4.177296      7.637692      4.270529
  C      -3.177659      6.538015      4.325971
  O      -2.249533      6.485295      3.522953
  C      -3.308448      5.436142      5.371784
  C      -4.029369      8.607558      3.267260
  C      -8.014530     -5.267109      4.084297
  C      -7.123058     -4.260351      4.771811
  O      -6.109629     -4.612633      5.367604
  C      -7.490417     -2.809621      4.689534
  C      -8.565208     -2.342605      3.912630
  C      -8.839747     -0.980612      3.831470
  C      -8.026610     -0.090329      4.523555
  F      -8.320130      1.230017      4.428571
  C      -6.952225     -0.507692      5.321724
  C      -6.014578      0.394733      6.069733
  O      -5.379672     -0.049622      7.016474
  C      -5.825992      1.841328      5.588023
  C      -6.713377     -1.884645      5.392310
  H      -1.876833     -7.602545      3.686413
  H      -3.584248     -7.051462      3.739503
  H      -2.684547     -6.974288      2.215113
  H      -4.455890     -5.409513      2.153601
  H      -5.802357     -3.386949      1.587881
  H      -1.310174      0.265693      3.014074
  H      -0.807049     -0.944933      4.206352
  H      -1.657673     -2.967068      4.305203
  H      -5.624042     12.439135      2.820909
  H      -6.653233     11.492259      1.735276
  H      -5.307788     12.462670      1.055470
  H      -6.693617     10.614597      3.960115
  H      -6.993115      8.910266      5.753175
  H      -3.307173      5.867264      6.381962
  H      -4.280802      4.933064      5.254753
  H      -3.195318      8.518580      2.569889
  H      -9.051368     -5.189705      4.444220
  H      -7.633229     -6.275770      4.273883
  H      -8.037384     -5.083650      2.998439
  H      -9.196647     -3.040668      3.362866
  H      -9.673255     -0.597335      3.242685
  H      -6.697767      2.420787      5.952764
  H      -5.895022      1.853949      4.491719
  H      -5.880977     -2.241417      6.000074
  N      -3.054692      2.728510      3.186439
  N      -3.374525      3.316288      2.044451
  H      -1.763474      4.742138      4.318769
  H      -4.333273      3.174904      1.715377
  H      -2.668732      3.265851      1.307690
91
Coordinates from ORCA-job orca E -6562.701207967429
  N      -1.367794      0.956728      5.018373
  Mo     -2.879878      2.347651      4.933008
  N      -4.560826      2.449601      6.027996
  C      -4.493301      2.740788      7.467800
  C      -3.245211      2.094830      8.055197
  N      -2.073244      2.489343      7.232958
  C      -0.932151      1.542143      7.335420
  C      -1.113727      0.402057      6.355368
  C      -1.643638      3.872147      7.555779
  C      -1.135320      4.556636      6.305893
  N      -2.176339      4.462385      5.246740
  H      -0.195451     -0.213278      6.342778
  H      -1.934897     -0.265920      6.689331
  H      -0.019891      2.092988      7.066848
  H      -0.820721      1.178918      8.371005
  H      -0.876483      5.608476      6.508001
  H      -0.238863      4.052470      5.918889
  H      -2.507442      4.420457      7.955523
  H      -0.873714      3.865991      8.344340
  H      -5.374488      2.342003      7.990393
  H      -4.490388      3.834515      7.643062
  H      -3.359280      1.005924      7.988976
  H      -3.088719      2.374699      9.112708
  C      -2.617463     -6.846054      3.304005
  C      -2.120597     -5.465140      3.648530
  O      -1.067216     -5.291365      4.251748
  C      -2.963900     -4.286258      3.256122
  C      -4.135686     -4.405027      2.493494
  C      -4.896133     -3.280644      2.177490
  C      -4.500225     -2.043239      2.661453
  F      -5.247112     -0.966804      2.344799
  C      -3.328738     -1.876078      3.429465
  C      -2.944734     -0.574406      3.987834
  O      -3.804481      0.221060      4.408928
  C      -1.499414     -0.103082      4.036344
  C      -2.563477     -3.020023      3.691703
  C      -5.693168     11.749844      1.834221
  C      -4.731439     10.597317      1.981876
  O      -3.796032     10.437726      1.207384
  C      -4.943643      9.629269      3.114444
  C      -6.007039      9.747243      4.026385
  C      -6.164961      8.823603      5.055480
  C      -5.253286      7.782447      5.167630
  F      -5.439256      6.901773      6.181379
  C      -4.171374      7.621540      4.283311
  C      -3.160219      6.532654      4.348722
  O      -2.234868      6.479206      3.542659
  C      -3.277405      5.442699      5.408156
  C      -4.045133      8.571919      3.258653
  C      -8.041520     -5.238946      4.061548
  C      -7.141809     -4.240720      4.750760
  O      -6.133998     -4.603080      5.350168
  C      -7.499960     -2.787321      4.675435
  C      -8.573697     -2.310674      3.902947
  C      -8.839694     -0.946725      3.827319
  C      -8.019997     -0.064009      4.521314
  F      -8.305479      1.258383      4.429752
  C      -6.946020     -0.490961      5.315376
  C      -6.000433      0.402165      6.065029
  O      -5.365591     -0.051264      7.007541
  C      -5.809360      1.852146      5.595019
  C      -6.715470     -1.869704      5.379561
  H      -1.908745     -7.589785      3.682230
  H      -3.610354     -7.021725      3.745635
  H      -2.721827     -6.960452      2.213854
  H      -4.465132     -5.380875      2.137158
  H      -5.800825     -3.350797      1.573416
  H      -1.290765      0.283523      3.018841
  H      -0.796034     -0.936272      4.205372
  H      -1.654969     -2.955178      4.291839
  H      -5.701153     12.370732      2.743460
  H      -6.720724     11.383990      1.684618
  H      -5.394979     12.360813      0.976171
  H      -6.723525     10.564257      3.939281
  H      -6.982636      8.896778      5.772543
  H      -3.261365      5.887714      6.412559
  H      -4.251461      4.939001      5.310871
  H      -3.218160      8.476981      2.553702
  H      -9.077163     -5.155935      4.423752
  H      -7.666844     -6.250855      4.247096
  H      -8.065057     -5.051529      2.976452
  H      -9.210530     -3.002561      3.351601
  H      -9.671567     -0.556077      3.241075
  H      -6.680738      2.430098      5.962980
  H      -5.877966      1.872375      4.498659
  H      -5.883582     -2.234301      5.983390
  N      -3.034645      2.746215      3.202923
  N      -3.347280      3.332432      2.058179
  H      -1.727554      4.747356      4.355517
  H      -4.306351      3.200213      1.726552
  H      -2.639175      3.278102      1.324015
91
Coordinates from ORCA-job orca E -6562.701261618053
  N      -1.336041      0.966412      5.048264
  Mo     -2.837381      2.370297      4.976236
  N      -4.522656      2.467362      6.067199
  C      -4.460077      2.731382      7.512352
  C      -3.221656      2.063759      8.096487
  N      -2.041739      2.463440      7.290037
  C      -0.910239      1.504875      7.379927
  C      -1.096833      0.385597      6.376809
  C      -1.603725      3.836848      7.637554
  C      -1.074795      4.532660      6.402853
  N      -2.107883      4.473288      5.334076
  H      -0.185675     -0.239943      6.358866
  H      -1.928020     -0.278605      6.693563
  H       0.008794      2.052562      7.128025
  H      -0.808126      1.119590      8.408480
  H      -0.798846      5.576563      6.622694
  H      -0.184902      4.017675      6.014608
  H      -2.466926      4.388245      8.034250
  H      -0.842301      3.812564      8.434308
  H      -5.349166      2.334225      8.023283
  H      -4.446531      3.821699      7.707540
  H      -3.344156      0.977296      8.009822
  H      -3.071569      2.323324      9.160374
  C      -2.652039     -6.797185      3.245916
  C      -2.140533     -5.423227      3.596787
  O      -1.075162     -5.261708      4.182096
  C      -2.977032     -4.234878      3.218793
  C      -4.157425     -4.338438      2.466906
  C      -4.911307     -3.205323      2.167404
  C      -4.501066     -1.974636      2.656436
  F      -5.243852     -0.890962      2.355824
  C      -3.320041     -1.822154      3.413384
  C      -2.920465     -0.530165      3.981572
  O      -3.773446      0.272890      4.403303
  C      -1.470384     -0.077036      4.048207
  C      -2.562070     -2.975071      3.658993
  C      -5.865903     11.504478      1.662838
  C      -4.864863     10.392515      1.853755
  O      -3.946486     10.212540      1.063450
  C      -5.014517      9.492412      3.050376
  C      -6.052013      9.639733      3.987500
  C      -6.153988      8.776276      5.074214
  C      -5.213839      7.764691      5.217649
  F      -5.345679      6.944154      6.288831
  C      -4.156305      7.575895      4.309496
  C      -3.118823      6.513548      4.402731
  O      -2.205539      6.447900      3.584058
  C      -3.200016      5.461761      5.502573
  C      -4.085076      8.467395      3.228133
  C      -8.106316     -5.160157      4.001798
  C      -7.194798     -4.183789      4.706503
  O      -6.193255     -4.568255      5.302797
  C      -7.529376     -2.724177      4.645960
  C      -8.597479     -2.223103      3.881190
  C      -8.840927     -0.854332      3.818849
  C      -8.005505      0.008671      4.518998
  F      -8.268878      1.336055      4.436237
  C      -6.936535     -0.442765      5.306395
  C      -5.973336      0.426582      6.062277
  O      -5.338131     -0.050284      6.993036
  C      -5.772160      1.882952      5.619231
  C      -6.728040     -1.825687      5.355589
  H      -1.938999     -7.549299      3.598651
  H      -3.635186     -6.972358      3.709773
  H      -2.784029     -6.897839      2.157545
  H      -4.498962     -5.308657      2.106845
  H      -5.822878     -3.263117      1.572399
  H      -1.248401      0.322272      3.038586
  H      -0.778210     -0.920312      4.211753
  H      -1.646551     -2.922502      4.249567
  H      -5.878574     12.177311      2.534143
  H      -6.883269     11.097001      1.555455
  H      -5.605274     12.073662      0.764693
  H      -6.791893     10.432473      3.875066
  H      -6.949772      8.874206      5.812659
  H      -3.140739      5.948955      6.486447
  H      -4.178423      4.959544      5.463130
  H      -3.278170      8.349884      2.503575
  H      -9.140658     -5.071195      4.366404
  H      -7.743445     -6.179220      4.171141
  H      -8.128420     -4.955110      2.919930
  H      -9.246303     -2.899056      3.324004
  H      -9.666621     -0.444620      3.236897
  H      -6.642068      2.459268      5.992769
  H      -5.837074      1.921520      4.522718
  H      -5.899815     -2.209891      5.952176
  N      -2.981156      2.795635      3.252939
  N      -3.271462      3.383246      2.104491
  H      -1.651133      4.762587      4.450868
  H      -4.228987      3.273720      1.761231
  H      -2.553377      3.328920      1.380562
91
Coordinates from ORCA-job orca E -6562.701322135143
  N      -1.303346      0.976573      5.081018
  Mo     -2.795571      2.391748      5.019485
  N      -4.486423      2.487459      6.105596
  C      -4.429636      2.728093      7.555220
  C      -3.201310      2.040706      8.138260
  N      -2.012819      2.441086      7.345768
  C      -0.891201      1.470936      7.426461
  C      -1.081389      0.371537      6.401989
  C      -1.564665      3.805577      7.713297
  C      -1.014045      4.508253      6.492091
  N      -2.039642      4.481202      5.415640
  H      -0.177815     -0.264667      6.380634
  H      -1.923103     -0.287820      6.701045
  H       0.035102      2.014099      7.191994
  H      -0.800668      1.065602      8.448370
  H      -0.721328      5.544230      6.727438
  H      -0.130892      3.981891      6.103571
  H      -2.426744      4.362210      8.104854
  H      -0.812335      3.765617      8.518336
  H      -5.326576      2.333654      8.054647
  H      -4.406101      3.815052      7.767534
  H      -3.332965      0.956694      8.035778
  H      -3.057029      2.284098      9.206853
  C      -2.672540     -6.751425      3.189948
  C      -2.150881     -5.384312      3.552213
  O      -1.085251     -5.235329      4.140278
  C      -2.981064     -4.187062      3.188213
  C      -4.164831     -4.275481      2.439556
  C      -4.910155     -3.133983      2.151376
  C      -4.489146     -1.910514      2.648877
  F      -5.223455     -0.819054      2.356654
  C      -3.305750     -1.773126      3.405255
  C      -2.893564     -0.490208      3.984190
  O      -3.740655      0.319316      4.407929
  C      -1.439810     -0.051423      4.064626
  C      -2.555525     -2.934178      3.637794
  C      -6.041682     11.236713      1.509196
  C      -5.010558     10.158109      1.729247
  O      -4.125069      9.940136      0.911360
  C      -5.089619      9.338320      2.988495
  C      -6.090304      9.528056      3.957557
  C      -6.129392      8.735546      5.100856
  C      -5.164205      7.751542      5.268422
  F      -5.232799      7.002607      6.396382
  C      -4.141272      7.523019      4.330417
  C      -3.081880      6.484937      4.446097
  O      -2.180157      6.405794      3.616011
  C      -3.121874      5.479450      5.590383
  C      -4.132274      8.344308      3.192623
  C      -8.173266     -5.063967      3.919642
  C      -7.244326     -4.111233      4.633665
  O      -6.242942     -4.518443      5.215175
  C      -7.563729     -2.647167      4.605199
  C      -8.635521     -2.119957      3.863445
  C      -8.863122     -0.747463      3.829075
  C      -8.008120      0.093276      4.532898
  F      -8.258070      1.424670      4.477347
  C      -6.935524     -0.384667      5.299298
  C      -5.952777      0.458265      6.060281
  O      -5.309930     -0.046089      6.971191
  C      -5.738761      1.919946      5.643563
  C      -6.743589     -1.770833      5.320946
  H      -1.961366     -7.511516      3.529072
  H      -3.652773     -6.924724      3.661216
  H      -2.815313     -6.840576      2.102110
  H      -4.515734     -5.239999      2.073323
  H      -5.823615     -3.179360      1.558192
  H      -1.208995      0.361976      3.062747
  H      -0.755485     -0.902425      4.219742
  H      -1.637692     -2.893718      4.225624
  H      -6.035942     11.965417      2.334190
  H      -7.053033     10.802586      1.469646
  H      -5.829734     11.750462      0.565902
  H      -6.850715     10.298028      3.825536
  H      -6.894814      8.868274      5.865498
  H      -3.015285      6.013018      6.546624
  H      -4.102692      4.981813      5.614886
  H      -3.353659      8.194237      2.443500
  H      -9.202049     -4.973689      4.299498
  H      -7.817800     -6.089620      4.062951
  H      -8.207279     -4.835640      2.842803
  H      -9.299235     -2.777855      3.302184
  H      -9.690967     -0.317510      3.265050
  H      -6.605288      2.497054      6.023502
  H      -5.800659      1.977140      4.547547
  H      -5.912624     -2.175531      5.899889
  N      -2.929267      2.837177      3.301462
  N      -3.199330      3.415752      2.146321
  H      -1.574415      4.777133      4.538118
  H      -4.153595      3.319542      1.791177
  H      -2.469656      3.365887      1.434242
91
Coordinates from ORCA-job orca E -6562.701354335838
  N      -1.277439      0.991180      5.105610
  Mo     -2.759517      2.419239      5.062386
  N      -4.454795      2.517062      6.145113
  C      -4.403397      2.730942      7.599185
  C      -3.186290      2.019978      8.178531
  N      -1.988674      2.416967      7.398190
  C      -0.880192      1.431031      7.466750
  C      -1.076317      0.356780      6.416837
  C      -1.523783      3.769362      7.787999
  C      -0.947955      4.478015      6.581805
  N      -1.966086      4.491607      5.499227
  H      -0.182942     -0.293387      6.390168
  H      -1.930850     -0.295467      6.694853
  H       0.055220      1.966845      7.252969
  H      -0.804094      1.001916      8.480079
  H      -0.633681      5.503246      6.836055
  H      -0.074332      3.937660      6.191017
  H      -2.381893      4.334742      8.175532
  H      -0.781177      3.709238      8.601021
  H      -5.308373      2.339134      8.086038
  H      -4.368906      3.813484      7.831791
  H      -3.330534      0.939121      8.059816
  H      -3.045050      2.245949      9.251234
  C      -2.707589     -6.698986      3.135676
  C      -2.178765     -5.338370      3.511760
  O      -1.114875     -5.201716      4.105805
  C      -3.002381     -4.131907      3.161609
  C      -4.188165     -4.204211      2.414409
  C      -4.923349     -3.053849      2.135229
  C      -4.490528     -1.837861      2.640620
  F      -5.214106     -0.737045      2.355606
  C      -3.306413     -1.717012      3.398472
  C      -2.880537     -0.442599      3.985986
  O      -3.719195      0.373140      4.417282
  C      -1.422863     -0.018232      4.071664
  C      -2.565556     -2.886336      3.620683
  C      -6.218603     10.940245      1.372353
  C      -5.168931      9.883798      1.611571
  O      -4.332274      9.605865      0.760977
  C      -5.170774      9.159242      2.930022
  C      -6.127616      9.404061      3.930646
  C      -6.096259      8.697879      5.129401
  C      -5.104784      7.744667      5.320965
  F      -5.099994      7.084079      6.504487
  C      -4.122823      7.465170      4.353751
  C      -3.039196      6.456325      4.493440
  O      -2.152405      6.359062      3.649508
  C      -3.031763      5.505082      5.684487
  C      -4.184518      8.199609      3.159702
  C      -8.206988     -4.969088      3.846524
  C      -7.274944     -4.034760      4.580223
  O      -6.280715     -4.458547      5.162074
  C      -7.578386     -2.567108      4.565576
  C      -8.639736     -2.019602      3.823346
  C      -8.850830     -0.644248      3.802806
  C      -7.989272      0.179136      4.519304
  F      -8.222491      1.513864      4.475789
  C      -6.927778     -0.319227      5.287452
  C      -5.938664      0.502956      6.062576
  O      -5.302780     -0.021419      6.967067
  C      -5.709631      1.968116      5.668271
  C      -6.752889     -1.707917      5.295670
  H      -1.999704     -7.466294      3.465210
  H      -3.687075     -6.870762      3.609086
  H      -2.855140     -6.777906      2.047849
  H      -4.549240     -5.162984      2.042959
  H      -5.837608     -3.086481      1.542457
  H      -1.190703      0.413228      3.077698
  H      -0.744831     -0.877019      4.210119
  H      -1.646784     -2.857992      4.207738
  H      -6.172551     11.727643      2.139792
  H      -7.226735     10.499751      1.422479
  H      -6.064613     11.383587      0.383189
  H      -6.908379     10.149821      3.779920
  H      -6.825407      8.875743      5.919880
  H      -2.867052      6.087835      6.603938
  H      -4.013380      5.019388      5.783475
  H      -3.438845      8.008000      2.386890
  H      -9.237013     -4.875748      4.222358
  H      -7.860757     -5.999591      3.976981
  H      -8.233527     -4.724850      2.772963
  H      -9.308644     -2.663597      3.252201
  H      -9.670467     -0.198294      3.239176
  H      -6.573487      2.547757      6.050480
  H      -5.764450      2.041249      4.572797
  H      -5.930713     -2.127731      5.876441
  N      -2.885434      2.886570      3.350079
  N      -3.135687      3.452898      2.187489
  H      -1.493884      4.787124      4.625943
  H      -4.086608      3.369615      1.821197
  H      -2.393764      3.407402      1.488329
91
Coordinates from ORCA-job orca E -6562.701424576697
  N      -1.293351      0.990400      5.100472
  Mo     -2.780184      2.414045      5.066069
  N      -4.469136      2.515216      6.158859
  C      -4.409410      2.732154      7.612442
  C      -3.187048      2.024866      8.185981
  N      -1.994698      2.419152      7.394302
  C      -0.884016      1.434281      7.459393
  C      -1.083161      0.358224      6.412193
  C      -1.526381      3.772841      7.777990
  C      -0.958833      4.479639      6.565966
  N      -1.984661      4.489805      5.491054
  H      -0.188446     -0.289952      6.381455
  H      -1.934028     -0.296455      6.695438
  H       0.049270      1.971338      7.240528
  H      -0.802698      1.007421      8.473258
  H      -0.645211      5.505808      6.817581
  H      -0.085979      3.941525      6.170684
  H      -2.381731      4.338833      8.170773
  H      -0.778347      3.715343      8.586088
  H      -5.310078      2.337694      8.104611
  H      -4.377293      3.815093      7.843665
  H      -3.331637      0.943260      8.073291
  H      -3.036659      2.255711      9.256063
  C      -2.709211     -6.704432      3.115678
  C      -2.191228     -5.344736      3.509705
  O      -1.135199     -5.209180      4.117760
  C      -3.015591     -4.137582      3.161961
  C      -4.193637     -4.207524      2.402880
  C      -4.927988     -3.056942      2.121298
  C      -4.500832     -1.843147      2.636677
  F      -5.220432     -0.739896      2.349069
  C      -3.324997     -1.725283      3.406781
  C      -2.902904     -0.450624      3.997457
  O      -3.740618      0.361173      4.438612
  C      -1.446493     -0.020169      4.069208
  C      -2.584129     -2.893913      3.631496
  C      -6.158331     10.998798      1.381615
  C      -5.141420      9.907737      1.606954
  O      -4.314579      9.613605      0.752145
  C      -5.160402      9.173184      2.919693
  C      -6.120602      9.421254      3.916442
  C      -6.101988      8.709161      5.112069
  C      -5.117659      7.748797      5.305760
  F      -5.123619      7.081074      6.484817
  C      -4.132275      7.467076      4.342995
  C      -3.053095      6.455218      4.486833
  O      -2.164025      6.355181      3.645781
  C      -3.046718      5.505445      5.680798
  C      -4.183072      8.204705      3.150559
  C      -8.149296     -4.987619      3.846840
  C      -7.231743     -4.045133      4.588227
  O      -6.234587     -4.458612      5.172216
  C      -7.552688     -2.581112      4.576860
  C      -8.615359     -2.042364      3.829943
  C      -8.841111     -0.669286      3.812939
  C      -7.991832      0.160775      4.536445
  F      -8.237469      1.493441      4.497537
  C      -6.930024     -0.328923      5.309077
  C      -5.952634      0.501425      6.089579
  O      -5.319589     -0.016314      6.999771
  C      -5.726859      1.966038      5.689763
  C      -6.741095     -1.715829      5.315261
  H      -2.005522     -7.471903      3.453577
  H      -3.696757     -6.880744      3.569830
  H      -2.836220     -6.778716      2.024897
  H      -4.550160     -5.165422      2.024538
  H      -5.836008     -3.088375      1.518996
  H      -1.227927      0.414375      3.073285
  H      -0.762809     -0.876135      4.198247
  H      -1.671463     -2.866020      4.228012
  H      -6.079088     11.777609      2.155022
  H      -7.179949     10.591652      1.437120
  H      -5.996973     11.443964      0.394522
  H      -6.893720     10.174781      3.765087
  H      -6.834576      8.888353      5.899046
  H      -2.875023      6.088092      6.599033
  H      -4.029065      5.022357      5.783346
  H      -3.433998      8.011071      2.381595
  H      -9.182443     -4.905301      4.216641
  H      -7.793130     -6.014717      3.977267
  H      -8.172226     -4.741667      2.773519
  H      -9.274736     -2.691746      3.253850
  H      -9.662981     -0.229958      3.247320
  H      -6.589208      2.545977      6.075236
  H      -5.786429      2.037487      4.594727
  H      -5.918429     -2.127156      5.901383
  N      -2.912647      2.878550      3.352208
  N      -3.174224      3.440361      2.189899
  H      -1.523473      4.783935      4.610780
  H      -4.127657      3.348662      1.831815
  H      -2.437014      3.394181      1.485658
91
Coordinates from ORCA-job orca E -6562.701457759427
  N      -1.291026      0.990797      5.111096
  Mo     -2.775078      2.418091      5.077394
  N      -4.463352      2.525689      6.170151
  C      -4.403122      2.742220      7.624092
  C      -3.184555      2.029168      8.198365
  N      -1.990067      2.417609      7.407373
  C      -0.884237      1.426758      7.472018
  C      -1.086877      0.354267      6.421980
  C      -1.515041      3.768394      7.792587
  C      -0.944116      4.472987      6.580854
  N      -1.969729      4.489111      5.505991
  H      -0.195107     -0.298046      6.391010
  H      -1.941129     -0.297288      6.702097
  H       0.052152      1.959667      7.256172
  H      -0.806747      0.997005      8.484948
  H      -0.625699      5.497434      6.833644
  H      -0.073403      3.931155      6.185843
  H      -2.367874      4.338894      8.184819
  H      -0.768167      3.706204      8.601303
  H      -5.305476      2.350960      8.115675
  H      -4.366679      3.824997      7.855882
  H      -3.334230      0.948341      8.085767
  H      -3.033533      2.259764      9.268450
  C      -2.731374     -6.691374      3.089310
  C      -2.209402     -5.336422      3.493883
  O      -1.153562     -5.208774      4.104091
  C      -3.026513     -4.123965      3.148346
  C      -4.202035     -4.185762      2.384723
  C      -4.932654     -3.031530      2.108149
  C      -4.503373     -1.822296      2.632504
  F      -5.220010     -0.715199      2.352039
  C      -3.328657     -1.712501      3.405400
  C      -2.905022     -0.442388      4.003652
  O      -3.740524      0.369289      4.449508
  C      -1.447368     -0.016498      4.076753
  C      -2.592372     -2.884523      3.626510
  C      -6.187640     10.942983      1.356232
  C      -5.169685      9.853517      1.584856
  O      -4.350063      9.549418      0.726601
  C      -5.176989      9.134487      2.906334
  C      -6.132341      9.389124      3.906050
  C      -6.103083      8.691065      5.109767
  C      -5.112378      7.738465      5.308862
  F      -5.108469      7.082895      6.494592
  C      -4.131434      7.450774      4.343288
  C      -3.045851      6.446870      4.492777
  O      -2.162858      6.340112      3.645992
  C      -3.028679      5.508616      5.696417
  C      -4.192755      8.174354      3.142763
  C      -8.138146     -4.971935      3.838824
  C      -7.225258     -4.031163      4.588309
  O      -6.234039     -4.446474      5.180919
  C      -7.544202     -2.566660      4.574772
  C      -8.602200     -2.026921      3.821934
  C      -8.827668     -0.653820      3.804369
  C      -7.982924      0.175342      4.534036
  F      -8.228474      1.508156      4.495865
  C      -6.924493     -0.315291      5.311124
  C      -5.951849      0.514488      6.098168
  O      -5.325860     -0.003368      7.013092
  C      -5.722902      1.979875      5.700850
  C      -6.735661     -1.702210      5.317430
  H      -2.032835     -7.463854      3.426508
  H      -3.722112     -6.866153      3.537021
  H      -2.852681     -6.758609      1.997327
  H      -4.559842     -5.140401      1.999344
  H      -5.839464     -3.057122      1.503774
  H      -1.227126      0.420023      3.082069
  H      -0.766348     -0.875033      4.203360
  H      -1.681797     -2.862716      4.226541
  H      -6.100459     11.728721      2.122029
  H      -7.209474     10.538212      1.423950
  H      -6.033605     11.378222      0.363614
  H      -6.910658     10.136409      3.750434
  H      -6.832671      8.874812      5.898495
  H      -2.845157      6.101262      6.606166
  H      -4.010502      5.028730      5.815386
  H      -3.448016      7.974715      2.371214
  H      -9.174155     -4.888319      4.200256
  H      -7.784613     -5.999674      3.971329
  H      -8.152095     -4.725210      2.765540
  H      -9.258539     -2.675886      3.241953
  H      -9.646568     -0.213966      3.234862
  H      -6.583695      2.560537      6.088810
  H      -5.783205      2.054274      4.606142
  H      -5.916319     -2.113789      5.907968
  N      -2.902520      2.884273      3.362979
  N      -3.161648      3.442199      2.198258
  H      -1.507061      4.785727      4.627199
  H      -4.114764      3.350877      1.839257
  H      -2.423111      3.392067      1.495727
91
Coordinates from ORCA-job orca E -6562.701485539465
  N      -1.286391      0.992974      5.125848
  Mo     -2.767929      2.424003      5.094744
  N      -4.452963      2.537351      6.190657
  C      -4.391126      2.749421      7.645171
  C      -3.175107      2.030320      8.216862
  N      -1.979574      2.416364      7.427018
  C      -0.877455      1.421217      7.488082
  C      -1.083941      0.352624      6.435207
  C      -1.499141      3.763808      7.815541
  C      -0.925060      4.467189      6.604693
  N      -1.949988      4.490595      5.529654
  H      -0.193724     -0.301767      6.401667
  H      -1.939489     -0.297685      6.714082
  H       0.060801      1.951566      7.273755
  H      -0.801067      0.987793      8.499520
  H      -0.601474      5.489593      6.859379
  H      -0.056709      3.921552      6.209581
  H      -2.349774      4.338253      8.207335
  H      -0.753827      3.696075      8.625133
  H      -5.294170      2.358730      8.136019
  H      -4.351406      3.831456      7.880679
  H      -3.328907      0.950481      8.101381
  H      -3.023243      2.257937      9.287571
  C      -2.775940     -6.671716      3.058990
  C      -2.240590     -5.324001      3.469817
  O      -1.182245     -5.209118      4.078371
  C      -3.046107     -4.102910      3.129049
  C      -4.219715     -4.151387      2.361451
  C      -4.944181     -2.991106      2.093922
  C      -4.509842     -1.789248      2.631086
  F      -5.222196     -0.676039      2.363413
  C      -3.334726     -1.692594      3.405236
  C      -2.906394     -0.429515      4.013295
  O      -3.738091      0.382281      4.464856
  C      -1.447190     -0.011068      4.088228
  C      -2.605660     -2.870315      3.618785
  C      -6.231118     10.856359      1.315460
  C      -5.211152      9.770347      1.551741
  O      -4.402290      9.449387      0.689466
  C      -5.201649      9.076920      2.886910
  C      -6.151621      9.341391      3.889094
  C      -6.107876      8.665437      5.104958
  C      -5.107593      7.725143      5.313963
  F      -5.089042      7.091346      6.511216
  C      -4.131193      7.428639      4.346233
  C      -3.035954      6.436719      4.505133
  O      -2.152881      6.329710      3.658331
  C      -3.005240      5.514315      5.720882
  C      -4.206859      8.130358      3.133578
  C      -8.118724     -4.947462      3.817180
  C      -7.214163     -4.010748      4.582019
  O      -6.232415     -4.430080      5.187329
  C      -7.529667     -2.545427      4.567373
  C      -8.579828     -2.003070      3.805568
  C      -8.803950     -0.629766      3.787833
  C      -7.965946      0.196963      4.527703
  F      -8.209696      1.530156      4.490240
  C      -6.914215     -0.296247      5.312605
  C      -5.949247      0.531784      6.110890
  O      -5.331288      0.011759      7.029969
  C      -5.715011      1.998495      5.718913
  C      -6.726250     -1.683258      5.318170
  H      -2.085796     -7.452638      3.394098
  H      -3.769249     -6.838599      3.504088
  H      -2.895644     -6.732561      1.966368
  H      -4.580507     -5.100557      1.965530
  H      -5.850285     -3.007062      1.488206
  H      -1.223817      0.425938      3.094457
  H      -0.770608     -0.873438      4.213158
  H      -1.696209     -2.858341      4.220846
  H      -6.133874     11.653450      2.068560
  H      -7.252929     10.454860      1.400464
  H      -6.087062     11.275359      0.314452
  H      -6.937999     10.078528      3.725641
  H      -6.833991      8.856636      5.895134
  H      -2.806585      6.120587      6.618933
  H      -3.985644      5.038393      5.861515
  H      -3.466735      7.922150      2.359969
  H      -9.159285     -4.863588      4.165222
  H      -7.768708     -5.976316      3.950391
  H      -8.118217     -4.696641      2.744784
  H      -9.230907     -2.650521      3.218071
  H      -9.616973     -0.188174      3.211318
  H      -6.573381      2.580139      6.110667
  H      -5.775458      2.078728      4.624668
  H      -5.912280     -2.096201      5.915103
  N      -2.890021      2.891176      3.379785
  N      -3.149442      3.439524      2.210427
  H      -1.484795      4.783648      4.651362
  H      -4.104207      3.351140      1.855181
  H      -2.412883      3.377357      1.506876
91
Coordinates from ORCA-job orca E -6562.701522149140
  N      -1.261316      1.001316      5.163171
  Mo     -2.735414      2.442370      5.133508
  N      -4.421791      2.565197      6.226416
  C      -4.363934      2.765712      7.682921
  C      -3.158499      2.030213      8.255306
  N      -1.955220      2.409749      7.475608
  C      -0.864704      1.402217      7.533086
  C      -1.075954      0.346719      6.468036
  C      -1.462558      3.749017      7.874899
  C      -0.872965      4.451347      6.670631
  N      -1.891132      4.495480      5.590781
  H      -0.192221     -0.316381      6.433525
  H      -1.939849     -0.297446      6.734955
  H       0.080802      1.924304      7.330526
  H      -0.799441      0.957078      8.540189
  H      -0.536919      5.467832      6.932951
  H      -0.010102      3.895629      6.277438
  H      -2.309552      4.332247      8.262024
  H      -0.724718      3.667950      8.690046
  H      -5.272878      2.379715      8.166694
  H      -4.314730      3.845551      7.926915
  H      -3.322730      0.953034      8.130846
  H      -3.011223      2.248926      9.328677
  C      -2.844325     -6.624347      3.000397
  C      -2.288062     -5.291057      3.429848
  O      -1.230904     -5.200983      4.044721
  C      -3.069453     -4.053347      3.094756
  C      -4.234579     -4.074939      2.313030
  C      -4.940040     -2.901327      2.053291
  C      -4.496257     -1.713657      2.613719
  F      -5.188899     -0.586867      2.352006
  C      -3.327953     -1.643728      3.401365
  C      -2.889691     -0.394598      4.029123
  O      -3.715046      0.419505      4.488269
  C      -1.426811      0.007597      4.115302
  C      -2.617202     -2.834035      3.606295
  C      -6.372239     10.592960      1.213979
  C      -5.338620      9.524929      1.471957
  O      -4.562130      9.157004      0.598770
  C      -5.271234      8.911927      2.844347
  C      -6.194004      9.215648      3.860582
  C      -6.098990      8.610572      5.110434
  C      -5.074231      7.701873      5.339381
  F      -5.003434      7.139516      6.569737
  C      -4.122488      7.369627      4.358678
  C      -3.003367      6.408308      4.537093
  O      -2.132544      6.286872      3.679573
  C      -2.936711      5.529282      5.782960
  C      -4.249702      8.000062      3.111650
  C      -8.131932     -4.860213      3.744240
  C      -7.223367     -3.941187      4.526048
  O      -6.244558     -4.376198      5.125075
  C      -7.532065     -2.474204      4.536628
  C      -8.582086     -1.915232      3.786766
  C      -8.800278     -0.540786      3.790297
  C      -7.956523      0.270393      4.540617
  F      -8.193903      1.605356      4.524802
  C      -6.904461     -0.239990      5.314369
  C      -5.934084      0.572307      6.122059
  O      -5.325931      0.040149      7.040655
  C      -5.687620      2.041784      5.745591
  C      -6.722504     -1.627648      5.298497
  H      -2.171129     -7.421080      3.332821
  H      -3.844414     -6.778468      3.435087
  H      -2.955105     -6.670596      1.906079
  H      -4.601597     -5.013130      1.897252
  H      -5.838398     -2.896611      1.436026
  H      -1.191943      0.449582      3.126590
  H      -0.760469     -0.863193      4.237338
  H      -1.713770     -2.842542      4.217446
  H      -6.251555     11.428004      1.921380
  H      -7.388956     10.194532      1.355320
  H      -6.265103     10.958973      0.187910
  H      -7.000013      9.927620      3.681663
  H      -6.803787      8.833335      5.911572
  H      -2.700704      6.170636      6.648095
  H      -3.912200      5.064315      5.978256
  H      -3.530318      7.761384      2.327437
  H      -9.171709     -4.780592      4.095653
  H      -7.784822     -5.892547      3.856505
  H      -8.132602     -4.588125      2.677082
  H      -9.236781     -2.550802      3.190436
  H      -9.612497     -0.086789      3.222395
  H      -6.541367      2.626092      6.143301
  H      -5.745712      2.134950      4.652296
  H      -5.907723     -2.053012      5.885456
  N      -2.840720      2.915052      3.418352
  N      -3.090791      3.445040      2.239281
  H      -1.420615      4.789504      4.714883
  H      -4.044095      3.360475      1.879521
  H      -2.348726      3.374146      1.542623
91
Coordinates from ORCA-job orca E -6562.701546124053
  N      -1.233934      1.008231      5.219390
  Mo     -2.694143      2.466222      5.186966
  N      -4.383290      2.608205      6.273122
  C      -4.333056      2.797518      7.731608
  C      -3.144487      2.038441      8.308157
  N      -1.928802      2.404190      7.542552
  C      -0.856315      1.377831      7.598762
  C      -1.074359      0.337711      6.519570
  C      -1.417624      3.732503      7.953538
  C      -0.803980      4.429611      6.757811
  N      -1.810524      4.500941      5.669716
  H      -0.201054     -0.339196      6.486590
  H      -1.951199     -0.295093      6.770952
  H       0.099989      1.885828      7.411755
  H      -0.808337      0.919732      8.601042
  H      -0.449505      5.437651      7.028528
  H       0.050328      3.857631      6.369188
  H      -2.258448      4.329663      8.332967
  H      -0.690798      3.634159      8.776677
  H      -5.251689      2.422443      8.205738
  H      -4.268284      3.874652      7.983643
  H      -3.325204      0.965106      8.173865
  H      -3.004619      2.247074      9.384715
  C      -2.916947     -6.556846      2.895439
  C      -2.342019     -5.242104      3.356948
  O      -1.286620     -5.182179      3.978523
  C      -3.101933     -3.985434      3.044440
  C      -4.260244     -3.971903      2.252241
  C      -4.946021     -2.782333      2.013012
  C      -4.490226     -1.614585      2.604876
  F      -5.162317     -0.471648      2.360446
  C      -3.327957     -1.579840      3.404304
  C      -2.874437     -0.349989      4.057866
  O      -3.690294      0.470164      4.525329
  C      -1.406020      0.027027      4.159790
  C      -2.636631     -2.785051      3.587989
  C      -6.576975     10.195023      1.092152
  C      -5.524282      9.153828      1.380729
  O      -4.805196      8.703567      0.496989
  C      -5.364226      8.672428      2.797177
  C      -6.234687      9.051361      3.833920
  C      -6.058429      8.561165      5.124707
  C      -5.004571      7.691866      5.373650
  F      -4.850281      7.246200      6.643425
  C      -4.101308      7.290118      4.373380
  C      -2.955820      6.364594      4.571298
  O      -2.106978      6.214519      3.696559
  C      -2.839130      5.552344      5.857588
  C      -4.309840      7.805255      3.085085
  C      -8.141254     -4.735017      3.646543
  C      -7.234879     -3.837468      4.455733
  O      -6.267354     -4.291422      5.058938
  C      -7.534142     -2.369004      4.493011
  C      -8.576197     -1.789159      3.748077
  C      -8.785394     -0.413466      3.775141
  C      -7.939577      0.377795      4.544118
  F      -8.166286      1.714728      4.550688
  C      -6.895399     -0.154304      5.314047
  C      -5.923038      0.637558      6.139071
  O      -5.330604      0.089111      7.058279
  C      -5.654235      2.107785      5.779481
  C      -6.723179     -1.542477      5.275073
  H      -2.259623     -7.371313      3.216549
  H      -3.923384     -6.704779      3.317208
  H      -3.017473     -6.577116      1.799318
  H      -4.634935     -4.894394      1.809224
  H      -5.837615     -2.750464      1.386855
  H      -1.152576      0.472802      3.177618
  H      -0.756445     -0.856647      4.280746
  H      -1.737223     -2.820190      4.204191
  H      -6.416944     11.087950      1.716127
  H      -7.582149      9.812456      1.327956
  H      -6.533055     10.469431      0.033366
  H      -7.063932      9.732018      3.639629
  H      -6.721672      8.844441      5.942047
  H      -2.552045      6.241814      6.670105
  H      -3.805990      5.109897      6.128406
  H      -3.630281      7.508661      2.285293
  H      -9.183605     -4.658628      3.991082
  H      -7.799925     -5.771222      3.739216
  H      -8.131878     -4.439674      2.585654
  H      -9.231008     -2.409499      3.136046
  H      -9.590845      0.056291      3.210474
  H      -6.501049      2.699538      6.180720
  H      -5.705561      2.214413      4.687137
  H      -5.914015     -1.984008      5.857824
  N      -2.772651      2.941947      3.470646
  N      -3.006905      3.445537      2.278159
  H      -1.330411      4.785141      4.796512
  H      -3.958104      3.369560      1.911300
  H      -2.257342      3.358038      1.591791
91
Coordinates from ORCA-job orca E -6562.692841890770
  N      -1.232702      1.014809      5.204850
  Mo     -2.703307      2.462125      5.173880
  N      -4.391733      2.583594      6.262606
  C      -4.343017      2.766525      7.720604
  C      -3.144238      2.019179      8.291119
  N      -1.933514      2.405202      7.527941
  C      -0.847923      1.394802      7.580611
  C      -1.055794      0.349958      6.504382
  C      -1.440320      3.738985      7.941539
  C      -0.831629      4.444594      6.748414
  N      -1.835038      4.506850      5.656709
  H      -0.172537     -0.313546      6.468818
  H      -1.922215     -0.294904      6.761262
  H       0.100261      1.915983      7.388347
  H      -0.789075      0.938689      8.583229
  H      -0.487783      5.455976      7.019991
  H       0.028629      3.881177      6.360420
  H      -2.288704      4.324870      8.320910
  H      -0.713297      3.648067      8.765516
  H      -5.256755      2.378468      8.194052
  H      -4.290728      3.843172      7.977477
  H      -3.311608      0.944432      8.149770
  H      -3.007453      2.222247      9.369182
  C      -2.906437     -6.565985      2.904298
  C      -2.322876     -5.249228      3.349254
  O      -1.266447     -5.187393      3.968729
  C      -3.082277     -3.993543      3.031927
  C      -4.238666     -3.981786      2.236577
  C      -4.922581     -2.792528      1.991797
  C      -4.469894     -1.623589      2.583540
  F      -5.139743     -0.481232      2.330749
  C      -3.310294     -1.587016      3.387393
  C      -2.859015     -0.355386      4.039771
  O      -3.680138      0.460754      4.500853
  C      -1.394123      0.029857      4.146956
  C      -2.618263     -2.791819      3.573171
  C      -6.508575     10.291473      1.098366
  C      -5.452419      9.254722      1.389784
  O      -4.704222      8.835118      0.515178
  C      -5.327747      8.737158      2.796938
  C      -6.228122      9.084984      3.818815
  C      -6.084903      8.561029      5.100241
  C      -5.035221      7.688165      5.354473
  F      -4.913545      7.212401      6.617172
  C      -4.102574      7.316592      4.369400
  C      -2.960029      6.387283      4.572260
  O      -2.078174      6.275419      3.725356
  C      -2.870312      5.550113      5.842458
  C      -4.278675      7.865416      3.090171
  C      -8.183020     -4.778897      3.709259
  C      -7.262979     -3.877632      4.498528
  O      -6.283576     -4.329044      5.084636
  C      -7.558994     -2.408353      4.531074
  C      -8.609690     -1.831553      3.796199
  C      -8.813104     -0.454787      3.813517
  C      -7.953178      0.340259      4.562763
  F      -8.173698      1.677897      4.557870
  C      -6.902835     -0.188725      5.325615
  C      -5.918008      0.606812      6.132229
  O      -5.315808      0.064064      7.048633
  C      -5.657462      2.075948      5.765214
  C      -6.736191     -1.577814      5.296545
  H      -2.249982     -7.380176      3.227906
  H      -3.910558     -6.705844      3.334830
  H      -3.014910     -6.595174      1.809288
  H      -4.611042     -4.904783      1.792899
  H      -5.810696     -2.761194      1.360684
  H      -1.139560      0.473383      3.164098
  H      -0.739850     -0.849394      4.273470
  H      -1.719555     -2.825846      4.190180
  H      -6.380179     11.169331      1.749918
  H      -7.515220      9.890077      1.292845
  H      -6.436505     10.595258      0.049084
  H      -7.054284      9.768145      3.620203
  H      -6.770514      8.821354      5.906650
  H      -2.606226      6.223217      6.676202
  H      -3.841083      5.097797      6.081446
  H      -3.574463      7.595185      2.302356
  H      -9.219161     -4.702197      4.071865
  H      -7.839292     -5.814480      3.800150
  H      -8.192371     -4.487572      2.647266
  H      -9.273788     -2.454534      3.196955
  H      -9.623013      0.013019      3.253682
  H      -6.508500      2.665305      6.160583
  H      -5.705707      2.176853      4.671969
  H      -5.920353     -2.017756      5.871192
  N      -2.788233      2.935899      3.459079
  N      -3.032517      3.438857      2.268247
  H      -1.359271      4.852774      4.921151
  H      -3.980928      3.342369      1.899023
  H      -2.280847      3.374978      1.581551
91
Coordinates from ORCA-job orca E -6562.700396954025
  N      -1.239458      1.005180      5.211177
  Mo     -2.704229      2.458626      5.174895
  N      -4.393863      2.589928      6.260177
  C      -4.346043      2.778824      7.717379
  C      -3.149226      2.029172      8.291495
  N      -1.935865      2.407380      7.526710
  C      -0.854153      1.393092      7.584589
  C      -1.065478      0.344053      6.512667
  C      -1.437751      3.741888      7.934511
  C      -0.826135      4.442401      6.739604
  N      -1.829610      4.504002      5.647585
  H      -0.185462     -0.324000      6.481301
  H      -1.935516     -0.295438      6.771332
  H       0.096126      1.909284      7.390143
  H      -0.797507      0.941542      8.589548
  H      -0.478775      5.453501      7.007560
  H       0.031496      3.874727      6.352140
  H      -2.283806      4.330245      8.314149
  H      -0.709197      3.652713      8.757540
  H      -5.262192      2.398046      8.191806
  H      -4.288948      3.856092      7.969106
  H      -3.320934      0.954197      8.154301
  H      -3.012262      2.235013      9.368815
  C      -2.895661     -6.582723      2.924699
  C      -2.321008     -5.259652      3.364210
  O      -1.264630     -5.189461      3.982523
  C      -3.091836     -4.008220      3.052895
  C      -4.253823     -4.001099      2.265700
  C      -4.941295     -2.813399      2.022525
  C      -4.486337     -1.640970      2.605675
  F      -5.161017     -0.500982      2.353691
  C      -3.324023     -1.600036      3.405052
  C      -2.868203     -0.365381      4.051962
  O      -3.687569      0.456515      4.509845
  C      -1.402452      0.017474      4.157685
  C      -2.628685     -2.803639      3.588966
  C      -6.546218     10.281198      1.121132
  C      -5.483414      9.248443      1.401879
  O      -4.751283      8.822132      0.516753
  C      -5.337393      8.737963      2.809146
  C      -6.220082      9.095238      3.843240
  C      -6.058618      8.576497      5.124686
  C      -5.009025      7.699594      5.365818
  F      -4.869384      7.227002      6.628199
  C      -4.093680      7.319739      4.368643
  C      -2.954397      6.384549      4.560233
  O      -2.076782      6.272926      3.709508
  C      -2.859332      5.551736      5.832572
  C      -4.287484      7.862938      3.089912
  C      -8.150793     -4.760096      3.660916
  C      -7.242653     -3.857306      4.461345
  O      -6.263314     -4.304581      5.050592
  C      -7.547995     -2.390661      4.501776
  C      -8.596739     -1.813696      3.764379
  C      -8.807202     -0.438121      3.792571
  C      -7.954274      0.355709      4.551501
  F      -8.181835      1.691849      4.555565
  C      -6.906670     -0.173739      5.316926
  C      -5.927140      0.619090      6.132153
  O      -5.323014      0.070688      7.043980
  C      -5.660583      2.085337      5.764358
  C      -6.734602     -1.561756      5.279144
  H      -2.231372     -7.390793      3.247557
  H      -3.896943     -6.730451      3.358032
  H      -3.007212     -6.615464      1.830177
  H      -4.629393     -4.926274      1.829261
  H      -5.834151     -2.785096      1.397834
  H      -1.146016      0.458067      3.173899
  H      -0.750873     -0.863442      4.287709
  H      -1.726392     -2.834585      4.200927
  H      -6.411140     11.166246      1.760662
  H      -7.547605      9.877499      1.337102
  H      -6.493805     10.575697      0.067925
  H      -7.045673      9.781760      3.654386
  H      -6.729406      8.844305      5.941028
  H      -2.591522      6.225905      6.663737
  H      -3.831765      5.104073      6.075004
  H      -3.596579      7.586391      2.292326
  H      -9.189833     -4.692836      4.017135
  H      -7.799945     -5.793557      3.748695
  H      -8.155001     -4.463222      2.600335
  H      -9.255438     -2.435110      3.157407
  H      -9.617012      0.029906      3.232709
  H      -6.510227      2.678962      6.156027
  H      -5.706491      2.182856      4.670639
  H      -5.921849     -2.003330      5.857066
  N      -2.785865      2.920324      3.457062
  N      -3.031325      3.412145      2.263024
  H      -1.279369      4.862512      4.833650
  H      -3.984050      3.323087      1.903047
  H      -2.287416      3.338113      1.568863
91
Coordinates from ORCA-job orca E -6562.698631227559
  N      -1.230150      1.014625      5.216634
  Mo     -2.694308      2.466808      5.182295
  N      -4.380258      2.605821      6.267619
  C      -4.334245      2.794875      7.723702
  C      -3.145416      2.035822      8.296568
  N      -1.931086      2.409196      7.534982
  C      -0.852931      1.390131      7.592321
  C      -1.063793      0.347820      6.515720
  C      -1.429768      3.734038      7.959096
  C      -0.805555      4.433368      6.775488
  N      -1.795658      4.508567      5.668657
  H      -0.186110     -0.323787      6.484364
  H      -1.936664     -0.290031      6.768791
  H       0.100260      1.903391      7.404182
  H      -0.801442      0.933214      8.595245
  H      -0.454139      5.440403      7.053686
  H       0.053269      3.862084      6.395606
  H      -2.275851      4.325743      8.335805
  H      -0.709351      3.633633      8.787792
  H      -5.252494      2.417760      8.196396
  H      -4.271465      3.871783      7.977869
  H      -3.323736      0.962898      8.155663
  H      -3.007652      2.237817      9.374592
  C      -2.903571     -6.553085      2.907529
  C      -2.326653     -5.235969      3.359730
  O      -1.267663     -5.173143      3.974747
  C      -3.089805     -3.980562      3.048460
  C      -4.249023     -3.968792      2.257937
  C      -4.936019     -2.779766      2.019548
  C      -4.480246     -1.610820      2.609210
  F      -5.155823     -0.468806      2.367378
  C      -3.319159     -1.575065      3.409263
  C      -2.865670     -0.344434      4.062257
  O      -3.681421      0.476957      4.529376
  C      -1.399437      0.033514      4.161443
  C      -2.625584     -2.779148      3.590641
  C      -6.570421     10.207308      1.104885
  C      -5.494106      9.190888      1.394758
  O      -4.752845      8.770136      0.514504
  C      -5.343372      8.692303      2.805742
  C      -6.235185      9.039746      3.835454
  C      -6.068745      8.531608      5.120834
  C      -5.003999      7.675909      5.370415
  F      -4.862345      7.205430      6.633145
  C      -4.079278      7.307618      4.377884
  C      -2.923836      6.396065      4.579914
  O      -2.047837      6.287846      3.726577
  C      -2.828310      5.557036      5.851938
  C      -4.277532      7.839544      3.095282
  C      -8.156227     -4.730082      3.647396
  C      -7.246239     -3.833426      4.452762
  O      -6.274450     -4.287305      5.049171
  C      -7.543908     -2.364993      4.491303
  C      -8.587917     -1.783120      3.750583
  C      -8.797061     -0.407488      3.782367
  C      -7.947207      0.382531      4.548318
  F      -8.176033      1.719134      4.560556
  C      -6.899576     -0.151555      5.312691
  C      -5.921504      0.636610      6.134481
  O      -5.323181      0.083952      7.047243
  C      -5.647981      2.104376      5.770829
  C      -6.729281     -1.539972      5.271454
  H      -2.243154     -7.365754      3.226750
  H      -3.906982     -6.700151      3.335812
  H      -3.011042     -6.577295      1.811799
  H      -4.625704     -4.892588      1.818913
  H      -5.829389     -2.748655      1.395689
  H      -1.145508      0.477441      3.178316
  H      -0.750161     -0.850388      4.285033
  H      -1.725993     -2.813213      4.206952
  H      -6.446904     11.097380      1.741378
  H      -7.567323      9.792245      1.320804
  H      -6.519323     10.496570      0.050374
  H      -7.073054      9.709086      3.639693
  H      -6.748337      8.789967      5.933005
  H      -2.561993      6.232624      6.682791
  H      -3.799939      5.108483      6.094294
  H      -3.580774      7.568543      2.301146
  H      -9.196875     -4.654587      3.997416
  H      -7.813613     -5.766078      3.737683
  H      -8.152223     -4.434090      2.586615
  H      -9.247253     -2.401960      3.141785
  H      -9.606273      0.063056      3.223679
  H      -6.496684      2.699350      6.163274
  H      -5.692558      2.204945      4.677617
  H      -5.920478     -1.984093      5.852760
  N      -2.795415      2.904415      3.456393
  N      -3.078911      3.342978      2.247370
  H      -1.407091      4.750427      4.711375
  H      -4.037476      3.227449      1.911216
  H      -2.345477      3.262190      1.543103
91
Coordinates from ORCA-job orca E -6562.697092018058
  N      -1.232166      1.009542      5.220079
  Mo     -2.683247      2.483706      5.172661
  N      -4.382258      2.628264      6.248091
  C      -4.341382      2.819815      7.710543
  C      -3.161745      2.052930      8.301682
  N      -1.934352      2.409086      7.547448
  C      -0.868812      1.373813      7.609625
  C      -1.085615      0.336519      6.524298
  C      -1.419454      3.735741      7.964126
  C      -0.788006      4.435437      6.777892
  N      -1.779548      4.521564      5.670774
  H      -0.217773     -0.347748      6.498697
  H      -1.969190     -0.290423      6.767739
  H       0.092719      1.874340      7.430847
  H      -0.831364      0.913389      8.611516
  H      -0.430990      5.439761      7.058472
  H       0.067808      3.860970      6.396311
  H      -2.261261      4.333789      8.339479
  H      -0.699251      3.634494      8.793107
  H      -5.266930      2.454169      8.177608
  H      -4.271207      3.896730      7.960207
  H      -3.349135      0.980807      8.165674
  H      -3.031542      2.259162      9.379657
  C      -2.920606     -6.567059      2.905144
  C      -2.351466     -5.251122      3.370450
  O      -1.301002     -5.190036      3.999766
  C      -3.104913     -3.992968      3.044729
  C      -4.254830     -3.978016      2.241023
  C      -4.928235     -2.785066      1.985258
  C      -4.470780     -1.615596      2.571810
  F      -5.130153     -0.470335      2.305694
  C      -3.320461     -1.582555      3.387704
  C      -2.866658     -0.352045      4.043092
  O      -3.685773      0.476912      4.498207
  C      -1.396094      0.022846      4.162421
  C      -2.638088     -2.791096      3.584175
  C      -6.633274     10.147307      1.110425
  C      -5.553428      9.133904      1.397180
  O      -4.825123      8.702402      0.511259
  C      -5.374362      8.662303      2.814034
  C      -6.241964      9.035542      3.855437
  C      -6.047005      8.556561      5.147927
  C      -4.977775      7.704985      5.392915
  F      -4.811879      7.258634      6.661312
  C      -4.076442      7.311840      4.388722
  C      -2.914788      6.407884      4.587302
  O      -2.085040      6.242138      3.697715
  C      -2.804730      5.578053      5.864214
  C      -4.304274      7.812925      3.098634
  C      -8.149579     -4.728246      3.663212
  C      -7.238823     -3.823939      4.458864
  O      -6.262560     -4.271121      5.053343
  C      -7.542186     -2.356257      4.492305
  C      -8.584243     -1.778731      3.745177
  C      -8.790751     -0.402396      3.766656
  C      -7.941757      0.392067      4.529444
  F      -8.163757      1.729906      4.525398
  C      -6.900356     -0.137871      5.304171
  C      -5.921053      0.653972      6.121091
  O      -5.335470      0.109553      7.047092
  C      -5.653724      2.122316      5.755951
  C      -6.731732     -1.526841      5.272135
  H      -2.266515     -7.380781      3.234305
  H      -3.931594     -6.713749      3.315939
  H      -3.009480     -6.590276      1.807907
  H      -4.635837     -4.902116      1.806103
  H      -5.812712     -2.750491      1.349056
  H      -1.129234      0.466979      3.183029
  H      -0.750448     -0.862372      4.293818
  H      -1.748328     -2.829238      4.214137
  H      -6.499640     11.048359      1.728165
  H      -7.625781      9.735330      1.351300
  H      -6.601284     10.418624      0.050317
  H      -7.081914      9.703338      3.663562
  H      -6.707066      8.835125      5.969433
  H      -2.520046      6.256779      6.685482
  H      -3.776931      5.138761      6.124622
  H      -3.625611      7.523626      2.295146
  H      -9.188544     -4.654047      4.018466
  H      -7.802766     -5.762434      3.758001
  H      -8.152495     -4.438786      2.600585
  H      -9.242013     -2.400635      3.137766
  H      -9.596512      0.065771      3.201005
  H      -6.503194      2.717651      6.147315
  H      -5.700699      2.218662      4.662772
  H      -5.925596     -1.968457      5.858998
  N      -2.752033      2.941610      3.450477
  N      -2.990454      3.422101      2.250890
  H      -1.247789      4.616610      4.766055
  H      -3.944717      3.348870      1.891293
  H      -2.243835      3.343834      1.560248
91
Coordinates from ORCA-job orca E -6562.696599363826
  N      -1.252862      0.998435      5.214885
  Mo     -2.708032      2.474855      5.196582
  N      -4.391577      2.600291      6.305927
  C      -4.323730      2.778373      7.773279
  C      -3.122962      2.021552      8.342304
  N      -1.911214      2.394456      7.564239
  C      -0.836768      1.365630      7.601636
  C      -1.072084      0.324903      6.518976
  C      -1.398207      3.733408      7.959214
  C      -0.798152      4.434788      6.748635
  N      -1.814384      4.509627      5.664065
  H      -0.201175     -0.354007      6.473755
  H      -1.946327     -0.306952      6.781960
  H       0.116926      1.873216      7.401523
  H      -0.774160      0.905371      8.602138
  H      -0.439181      5.442985      7.011886
  H       0.052076      3.862141      6.352352
  H      -2.234951      4.326832      8.351044
  H      -0.656788      3.644026      8.770646
  H      -5.238607      2.403060      8.254484
  H      -4.257460      3.854041      8.028141
  H      -3.301076      0.947453      8.206080
  H      -2.975686      2.225750      9.418361
  C      -2.875095     -6.598988      2.920217
  C      -2.324587     -5.269409      3.371077
  O      -1.261436     -5.185397      3.975841
  C      -3.113778     -4.026186      3.069799
  C      -4.286286     -4.029798      2.298222
  C      -4.988294     -2.848170      2.064455
  C      -4.533518     -1.670473      2.637466
  F      -5.223500     -0.536435      2.398140
  C      -3.361009     -1.619113      3.420610
  C      -2.905916     -0.381789      4.062927
  O      -3.725276      0.440015      4.528672
  C      -1.433177      0.004977      4.157504
  C      -2.654850     -2.817195      3.599765
  C      -6.625357     10.140162      1.065417
  C      -5.567327      9.105375      1.356856
  O      -4.870668      8.630658      0.467768
  C      -5.375642      8.660832      2.780883
  C      -6.214093      9.080877      3.828233
  C      -6.009298      8.625215      5.127236
  C      -4.959841      7.749355      5.372880
  F      -4.783111      7.331841      6.649844
  C      -4.087041      7.308230      4.362197
  C      -2.945780      6.374807      4.557118
  O      -2.124613      6.185547      3.665003
  C      -2.821590      5.578363      5.851399
  C      -4.323989      7.789280      3.066045
  C      -8.116352     -4.688360      3.524261
  C      -7.215921     -3.803157      4.352280
  O      -6.237333     -4.260421      4.934655
  C      -7.531192     -2.340612      4.434462
  C      -8.579440     -1.747400      3.709438
  C      -8.799118     -0.375020      3.781183
  C      -7.956237      0.399561      4.570492
  F      -8.191840      1.733394      4.615969
  C      -6.907826     -0.146495      5.322319
  C      -5.933481      0.626742      6.161982
  O      -5.327663      0.056594      7.059213
  C      -5.672161      2.100825      5.826614
  C      -6.726268     -1.531386      5.240750
  H      -2.194234     -7.397071      3.233103
  H      -3.871750     -6.770746      3.354676
  H      -2.989683     -6.624362      1.826011
  H      -4.663088     -4.959330      1.872329
  H      -5.892193     -2.828672      1.455495
  H      -1.188289      0.447368      3.171381
  H      -0.779920     -0.875956      4.278757
  H      -1.747122     -2.840296      4.203924
  H      -6.455316     11.052730      1.655758
  H      -7.622956      9.761620      1.337210
  H      -6.607843     10.383418     -0.001933
  H      -7.039041      9.767206      3.635869
  H      -6.646558      8.940317      5.953506
  H      -2.514351      6.265425      6.657008
  H      -3.796059      5.157975      6.132980
  H      -3.668473      7.463248      2.257425
  H      -9.156993     -4.634364      3.877958
  H      -7.761182     -5.722230      3.586074
  H      -8.117836     -4.363898      2.471770
  H      -9.232916     -2.353524      3.081730
  H      -9.610910      0.105371      3.234784
  H      -6.515737      2.686049      6.242533
  H      -5.736593      2.219405      4.735658
  H      -5.914472     -1.985697      5.810112
  N      -2.779570      2.982300      3.492426
  N      -2.996647      3.541968      2.329321
  H      -1.334074      4.926998      4.855446
  H      -3.941982      3.482398      1.945214
  H      -2.240827      3.490527      1.646286
91
Coordinates from ORCA-job orca E -6562.700348699075
  N      -1.233075      1.017663      5.211043
  Mo     -2.689157      2.480603      5.151772
  N      -4.400853      2.599155      6.204659
  C      -4.380364      2.790123      7.661750
  C      -3.202080      2.031406      8.259208
  N      -1.971456      2.402117      7.521909
  C      -0.900910      1.378450      7.595091
  C      -1.097638      0.341712      6.509269
  C      -1.471717      3.728617      7.947670
  C      -0.832293      4.430724      6.768820
  N      -1.812811      4.512307      5.656204
  H      -0.224236     -0.335176      6.491923
  H      -1.980203     -0.290559      6.740253
  H       0.058186      1.887743      7.427007
  H      -0.871120      0.916835      8.596507
  H      -0.481809      5.436673      7.051117
  H       0.028463      3.858446      6.395268
  H      -2.320513      4.320761      8.316011
  H      -0.758191      3.630015      8.782718
  H      -5.308183      2.414621      8.117178
  H      -4.321871      3.867367      7.913645
  H      -3.378373      0.958298      8.115193
  H      -3.086486      2.233504      9.339533
  C      -2.961192     -6.546176      2.887136
  C      -2.365005     -5.239265      3.342794
  O      -1.340973     -5.195806      4.015760
  C      -3.084922     -3.970533      2.987421
  C      -4.204644     -3.940394      2.142239
  C      -4.853675     -2.739390      1.863746
  C      -4.406986     -1.577429      2.472802
  F      -5.043101     -0.423329      2.187150
  C      -3.286439     -1.560222      3.329565
  C      -2.843898     -0.336654      4.002739
  O      -3.672094      0.480792      4.447183
  C      -1.378810      0.039570      4.146895
  C      -2.622196     -2.775563      3.544371
  C      -6.532178     10.299429      1.136803
  C      -5.465932      9.270289      1.418482
  O      -4.728553      8.850594      0.534516
  C      -5.324346      8.753874      2.823917
  C      -6.209308      9.107764      3.857413
  C      -6.050032      8.585755      5.137844
  C      -5.000362      7.708942      5.378474
  F      -4.864466      7.230157      6.638936
  C      -4.082409      7.332873      4.381994
  C      -2.939528      6.400930      4.573044
  O      -2.058311      6.299156      3.725183
  C      -2.846963      5.556358      5.839760
  C      -4.273443      7.880124      3.104766
  C      -8.197984     -4.857453      3.898327
  C      -7.272290     -3.928355      4.646750
  O      -6.301765     -4.361041      5.261607
  C      -7.552941     -2.456100      4.603828
  C      -8.587853     -1.904465      3.828112
  C      -8.781723     -0.526885      3.784454
  C      -7.927168      0.295126      4.510641
  F      -8.144344      1.632131      4.450994
  C      -6.890227     -0.206747      5.308996
  C      -5.913932      0.613351      6.101792
  O      -5.328510      0.099974      7.045482
  C      -5.653175      2.071368      5.696628
  C      -6.733757     -1.597418      5.342259
  H      -2.342513     -7.372976      3.250572
  H      -3.987984     -6.651969      3.272204
  H      -3.020063     -6.587832      1.788732
  H      -4.580139     -4.859051      1.692061
  H      -5.713001     -2.692794      1.194777
  H      -1.101143      0.489053      3.173020
  H      -0.732818     -0.844352      4.282485
  H      -1.755028     -2.824659      4.204198
  H      -6.403833     11.184154      1.778772
  H      -7.532061      9.889715      1.348652
  H      -6.477716     10.596593      0.084526
  H      -7.034795      9.794349      3.668636
  H      -6.722542      8.850629      5.953752
  H      -2.587147      6.221667      6.680529
  H      -3.820716      5.104802      6.069469
  H      -3.580592      7.606854      2.307945
  H      -9.235226     -4.748856      4.249486
  H      -7.867655     -5.890954      4.045407
  H      -8.197134     -4.622098      2.822467
  H      -9.252069     -2.548050      3.251086
  H      -9.583767     -0.078891      3.197649
  H      -6.514301      2.666873      6.058287
  H      -5.680988      2.141137      4.599877
  H      -5.934169     -2.018116      5.953056
  N      -2.732196      2.957716      3.438065
  N      -2.955171      3.466434      2.249295
  H      -1.282178      4.816701      4.835448
  H      -3.903401      3.403349      1.872717
  H      -2.200432      3.399096      1.566388
91
Coordinates from ORCA-job orca E -6562.697955884949
  N      -1.240033      0.998840      5.228860
  Mo     -2.694838      2.458850      5.191702
  N      -4.371728      2.614384      6.285814
  C      -4.309481      2.825183      7.737969
  C      -3.120506      2.069580      8.311658
  N      -1.912162      2.421103      7.532439
  C      -0.843097      1.394295      7.593494
  C      -1.072611      0.343159      6.531593
  C      -1.394486      3.746979      7.929553
  C      -0.780616      4.425553      6.730084
  N      -1.786220      4.494709      5.639626
  H      -0.202358     -0.337921      6.500576
  H      -1.950476     -0.282366      6.796740
  H       0.113120      1.896661      7.391549
  H      -0.787622      0.948431      8.601061
  H      -0.419487      5.433657      6.991709
  H       0.069156      3.844233      6.345247
  H      -2.231180      4.350080      8.309864
  H      -0.662612      3.654075      8.748961
  H      -5.225891      2.464240      8.225849
  H      -4.234736      3.905613      7.972858
  H      -3.306716      0.996067      8.191722
  H      -2.970006      2.289842      9.384435
  C      -2.843581     -6.577205      2.933220
  C      -2.301200     -5.255649      3.413800
  O      -1.231379     -5.175525      4.007708
  C      -3.093265     -4.013270      3.122924
  C      -4.267540     -4.020040      2.355007
  C      -4.973772     -2.840792      2.123686
  C      -4.519071     -1.662458      2.695469
  F      -5.206922     -0.528700      2.452137
  C      -3.343821     -1.608347      3.472997
  C      -2.888670     -0.367349      4.105305
  O      -3.700202      0.457304      4.570194
  C      -1.422194      0.011595      4.185081
  C      -2.635042     -2.803658      3.652311
  C      -6.612490     10.195554      1.124122
  C      -5.533829      9.178130      1.401670
  O      -4.790277      8.771737      0.516549
  C      -5.373287      8.672098      2.808902
  C      -6.254201      9.019005      3.848148
  C      -6.075385      8.509031      5.131188
  C      -5.008870      7.652324      5.368904
  F      -4.858046      7.175142      6.627943
  C      -4.094876      7.284255      4.366508
  C      -2.933998      6.376953      4.556930
  O      -2.086099      6.244387      3.679039
  C      -2.817829      5.543901      5.831580
  C      -4.305768      7.817298      3.086443
  C      -8.147397     -4.653757      3.493748
  C      -7.223748     -3.775127      4.303935
  O      -6.233240     -4.238827      4.860664
  C      -7.537383     -2.312756      4.404051
  C      -8.599817     -1.714994      3.703011
  C      -8.820592     -0.343547      3.787532
  C      -7.966858      0.426376      4.569321
  F      -8.207702      1.759782      4.632363
  C      -6.903507     -0.125239      5.299771
  C      -5.917916      0.642097      6.133118
  O      -5.307609      0.064078      7.021884
  C      -5.646288      2.117925      5.800857
  C      -6.719801     -1.509393      5.203080
  H      -2.158122     -7.378063      3.228475
  H      -3.839196     -6.762974      3.364039
  H      -2.958345     -6.578880      1.837731
  H      -4.639335     -4.950205      1.924957
  H      -5.876931     -2.823078      1.513625
  H      -1.181239      0.448732      3.195889
  H      -0.771230     -0.871018      4.307708
  H      -1.723031     -2.822977      4.250700
  H      -6.488932     11.080539      1.767906
  H      -7.607868      9.776179      1.339478
  H      -6.565279     10.493916      0.072017
  H      -7.092775      9.690047      3.661690
  H      -6.746702      8.766428      5.950517
  H      -2.540503      6.222865      6.655771
  H      -3.785670      5.095124      6.090162
  H      -3.616384      7.548414      2.285233
  H      -9.178631     -4.599539      3.874291
  H      -7.793490     -5.688863      3.540103
  H      -8.175455     -4.322978      2.443830
  H      -9.262012     -2.317342      3.081050
  H      -9.642263      0.139286      3.258264
  H      -6.489917      2.707903      6.212783
  H      -5.704457      2.237436      4.710797
  H      -5.895927     -1.966034      5.752602
  N      -2.801391      2.882583      3.462872
  N      -3.088004      3.329128      2.258056
  H      -1.314480      4.656327      4.722072
  H      -4.053436      3.243810      1.932060
  H      -2.363837      3.240903      1.544969
91
Coordinates from ORCA-job orca E -6562.697596446980
  N      -1.261910      0.997392      5.218441
  Mo     -2.718988      2.466943      5.184277
  N      -4.391830      2.608086      6.296413
  C      -4.324378      2.813969      7.755908
  C      -3.129356      2.060560      8.331605
  N      -1.919182      2.418736      7.552688
  C      -0.844544      1.391623      7.597757
  C      -1.075728      0.342685      6.527434
  C      -1.405229      3.748354      7.954867
  C      -0.796803      4.441801      6.758008
  N      -1.802421      4.518364      5.661680
  H      -0.201541     -0.333282      6.488445
  H      -1.946641     -0.290503      6.798826
  H       0.108285      1.898782      7.392537
  H      -0.779370      0.939309      8.602118
  H      -0.437757      5.448636      7.027835
  H       0.054984      3.866992      6.367838
  H      -2.243143      4.344418      8.342929
  H      -0.670200      3.654201      8.771489
  H      -5.238720      2.449083      8.244785
  H      -4.254303      3.893904      7.994039
  H      -3.312067      0.986517      8.208610
  H      -2.980705      2.277532      9.405387
  C      -2.862858     -6.596382      2.899477
  C      -2.315699     -5.274056      3.373812
  O      -1.252901     -5.197324      3.980449
  C      -3.102319     -4.028528      3.078552
  C      -4.269422     -4.029600      2.299571
  C      -4.973101     -2.848391      2.069327
  C      -4.522325     -1.673465      2.651237
  F      -5.214434     -0.539127      2.418713
  C      -3.353872     -1.624876      3.439244
  C      -2.905073     -0.385961      4.082642
  O      -3.724572      0.438928      4.542396
  C      -1.437249     -0.000894      4.174667
  C      -2.647673     -2.821862      3.618319
  C      -6.592442     10.205033      1.098232
  C      -5.524800      9.178788      1.385529
  O      -4.808049      8.731059      0.498184
  C      -5.349780      8.706592      2.802636
  C      -6.208513      9.094165      3.846082
  C      -6.019553      8.611033      5.138140
  C      -4.965609      7.739992      5.380241
  F      -4.801865      7.292229      6.648556
  C      -4.073114      7.332850      4.373971
  C      -2.927048      6.408362      4.568788
  O      -2.080944      6.258057      3.692018
  C      -2.823547      5.582277      5.848665
  C      -4.292902      7.840167      3.085089
  C      -8.099400     -4.703372      3.544346
  C      -7.195502     -3.809301      4.359669
  O      -6.217937     -4.261289      4.947598
  C      -7.514953     -2.346871      4.431604
  C      -8.566441     -1.762421      3.703490
  C      -8.796470     -0.391532      3.770347
  C      -7.961967      0.391067      4.560486
  F      -8.210317      1.723256      4.604899
  C      -6.908741     -0.146403      5.314922
  C      -5.943325      0.633902      6.159572
  O      -5.324163      0.058133      7.043665
  C      -5.673758      2.109045      5.821541
  C      -6.715587     -1.530214      5.235545
  H      -2.186121     -7.399577      3.208176
  H      -3.863949     -6.771490      3.321083
  H      -2.966321     -6.606623      1.802952
  H      -4.640096     -4.957432      1.863670
  H      -5.872878     -2.827108      1.454323
  H      -1.190220      0.432587      3.184960
  H      -0.784747     -0.881800      4.304099
  H      -1.741473     -2.845211      4.225514
  H      -6.441865     11.107976      1.710100
  H      -7.589412      9.808909      1.347474
  H      -6.562741     10.469185      0.036345
  H      -7.037802      9.775673      3.656005
  H      -6.673237      8.900412      5.961043
  H      -2.538600      6.262500      6.668903
  H      -3.798284      5.149049      6.108245
  H      -3.621261      7.538773      2.280192
  H      -9.139173     -4.644272      3.900253
  H      -7.745184     -5.736839      3.617088
  H      -8.103734     -4.391296      2.488310
  H      -9.214937     -2.375074      3.077081
  H      -9.611297      0.081058      3.221554
  H      -6.515514      2.699005      6.237705
  H      -5.739550      2.225795      4.731684
  H      -5.901358     -1.977056      5.807192
  N      -2.828693      2.900373      3.456690
  N      -3.127526      3.346011      2.252632
  H      -1.411452      4.722746      4.698495
  H      -4.091677      3.239835      1.928901
  H      -2.404033      3.271984      1.537304
91
Coordinates from ORCA-job orca E -6562.696780794096
  N      -1.249371      1.016390      5.237143
  Mo     -2.703791      2.489026      5.188631
  N      -4.414090      2.588904      6.255976
  C      -4.386212      2.768271      7.719092
  C      -3.197204      2.013565      8.310580
  N      -1.970546      2.395288      7.565559
  C      -0.896955      1.371024      7.626019
  C      -1.103577      0.334238      6.536079
  C      -1.474159      3.732180      7.982868
  C      -0.847852      4.444952      6.792844
  N      -1.839091      4.519533      5.689543
  H      -0.230000     -0.341907      6.509812
  H      -1.983567     -0.300222      6.771827
  H       0.060384      1.881233      7.451393
  H      -0.858343      0.906939      8.625979
  H      -0.502012      5.453759      7.070653
  H       0.014548      3.880125      6.412012
  H      -2.323210      4.318588      8.357909
  H      -0.752167      3.641367      8.811740
  H      -5.310290      2.384386      8.176452
  H      -4.334186      3.843856      7.977324
  H      -3.367459      0.939007      8.163892
  H      -3.077636      2.212553      9.390871
  C      -3.029371     -6.517457      2.740635
  C      -2.425896     -5.230271      3.240379
  O      -1.402259     -5.213631      3.914851
  C      -3.129818     -3.946335      2.909806
  C      -4.246445     -3.887302      2.061942
  C      -4.886244     -2.675984      1.810576
  C      -4.431799     -1.532623      2.446950
  F      -5.065030     -0.368760      2.194960
  C      -3.310573     -1.543193      3.303620
  C      -2.862744     -0.334833      4.001775
  O      -3.693924      0.475473      4.454013
  C      -1.394599      0.040447      4.161945
  C      -2.657104     -2.768601      3.494351
  C      -6.501093     10.224660      1.033957
  C      -5.450073      9.187948      1.343168
  O      -4.720934      8.732284      0.470337
  C      -5.310474      8.713470      2.763522
  C      -6.187571      9.110934      3.787798
  C      -6.030787      8.627189      5.083204
  C      -4.991146      7.745276      5.348455
  F      -4.860456      7.302947      6.622720
  C      -4.080644      7.326214      4.361729
  C      -2.946200      6.388375      4.577536
  O      -2.079182      6.236098      3.722830
  C      -2.859943      5.574995      5.862428
  C      -4.269302      7.836288      3.068749
  C      -8.117178     -4.893597      3.940317
  C      -7.202718     -3.951513      4.686029
  O      -6.225499     -4.371657      5.299546
  C      -7.505949     -2.482956      4.644343
  C      -8.552990     -1.947677      3.873513
  C      -8.772738     -0.573668      3.836718
  C      -7.933884      0.261234      4.566848
  F      -8.175299      1.593613      4.514564
  C      -6.885252     -0.222954      5.357851
  C      -5.924854      0.612040      6.154480
  O      -5.316190      0.097277      7.082840
  C      -5.678328      2.075006      5.758215
  C      -6.700154     -1.610614      5.382121
  H      -2.424582     -7.361377      3.087697
  H      -4.062814     -6.620304      3.111290
  H      -3.075546     -6.527402      1.641522
  H      -4.628417     -4.792046      1.590267
  H      -5.745076     -2.607564      1.142947
  H      -1.115597      0.500185      3.192951
  H      -0.747386     -0.843741      4.289231
  H      -1.792816     -2.840149      4.155430
  H      -6.356589     11.126759      1.646353
  H      -7.505769      9.837176      1.263219
  H      -6.446763     10.487998     -0.027430
  H      -7.005508      9.801096      3.579657
  H      -6.698217      8.924728      5.891938
  H      -2.586004      6.250680      6.689553
  H      -3.839917      5.142420      6.103425
  H      -3.583572      7.528391      2.278284
  H      -9.154884     -4.797556      4.293368
  H      -7.773201     -5.922481      4.088433
  H      -8.121541     -4.660151      2.863895
  H      -9.206971     -2.601016      3.295618
  H      -9.584742     -0.138284      3.254159
  H      -6.532388      2.661745      6.148426
  H      -5.729376      2.164676      4.663101
  H      -5.890788     -2.017881      5.989183
  N      -2.724544      3.004981      3.488212
  N      -2.915918      3.574020      2.327600
  H      -1.279837      4.915929      4.927886
  H      -3.854178      3.520840      1.926745
  H      -2.148530      3.532385      1.657335
91
Coordinates from ORCA-job orca E -6562.700835606547
  N      -1.249972      1.006973      5.224986
  Mo     -2.706556      2.473633      5.178149
  N      -4.396726      2.593788      6.265407
  C      -4.351045      2.794371      7.723509
  C      -3.159157      2.044421      8.308576
  N      -1.941906      2.413319      7.546916
  C      -0.866433      1.391399      7.603784
  C      -1.082796      0.344706      6.529327
  C      -1.438870      3.744346      7.956639
  C      -0.820720      4.443031      6.764588
  N      -1.817033      4.517157      5.662315
  H      -0.207217     -0.329284      6.499324
  H      -1.957087     -0.289666      6.785404
  H       0.087545      1.901664      7.411416
  H      -0.813287      0.937111      8.607753
  H      -0.468857      5.451208      7.037674
  H       0.036775      3.872203      6.381234
  H      -2.283238      4.335875      8.336449
  H      -0.711328      3.652628      8.780405
  H      -5.269717      2.420602      8.198162
  H      -4.291186      3.873622      7.966739
  H      -3.334257      0.969810      8.176925
  H      -3.025838      2.256029      9.385209
  C      -2.919002     -6.565776      2.856610
  C      -2.345059     -5.254461      3.329625
  O      -1.307023     -5.201577      3.979949
  C      -3.095045     -3.993107      3.009185
  C      -4.234571     -3.970144      2.190524
  C      -4.908374     -2.775880      1.941139
  C      -4.460886     -1.612763      2.548108
  F      -5.123236     -0.465478      2.294235
  C      -3.319332     -1.588265      3.376491
  C      -2.874648     -0.361180      4.044269
  O      -3.700405      0.456507      4.496770
  C      -1.408202      0.018601      4.170386
  C      -2.636927     -2.797115      3.568640
  C      -6.556009     10.243932      1.095150
  C      -5.492302      9.214431      1.385123
  O      -4.768432      8.771840      0.501104
  C      -5.334810      8.727941      2.799488
  C      -6.203811      9.109170      3.836733
  C      -6.030998      8.613375      5.125946
  C      -4.983504      7.735418      5.371550
  F      -4.835105      7.279634      6.639021
  C      -4.080852      7.333386      4.371486
  C      -2.940040      6.400974      4.568153
  O      -2.074449      6.271609      3.707640
  C      -2.843945      5.570707      5.844671
  C      -4.284878      7.854493      3.085377
  C      -8.161087     -4.794461      3.739541
  C      -7.243321     -3.884549      4.520929
  O      -6.270497     -4.329711      5.122332
  C      -7.536571     -2.414644      4.531561
  C      -8.577483     -1.843308      3.778219
  C      -8.784637     -0.467129      3.788268
  C      -7.938186      0.333412      4.547172
  F      -8.164352      1.670023      4.538244
  C      -6.895546     -0.189252      5.324287
  C      -5.922763      0.610968      6.140837
  O      -5.324673      0.067937      7.059665
  C      -5.664998      2.081206      5.775851
  C      -6.724740     -1.578201      5.302272
  H      -2.278452     -7.385679      3.196964
  H      -3.938214     -6.701603      3.250238
  H      -2.989429     -6.588069      1.758161
  H      -4.606020     -4.889057      1.737388
  H      -5.784569     -2.735405      1.293958
  H      -1.143058      0.460790      3.189318
  H      -0.759462     -0.863945      4.303962
  H      -1.752775     -2.839447      4.206180
  H      -6.412145     11.142258      1.714780
  H      -7.555382      9.846120      1.331096
  H      -6.515150     10.516361      0.035634
  H      -7.027898      9.796264      3.643904
  H      -6.691900      8.898737      5.944443
  H      -2.571783      6.245036      6.674097
  H      -3.819085      5.129961      6.089567
  H      -3.604747      7.559376      2.285372
  H      -9.199669     -4.705024      4.092244
  H      -7.823582     -5.829952      3.852224
  H      -8.160232     -4.523054      2.672241
  H      -9.235286     -2.470177      3.176023
  H      -9.590586     -0.004042      3.218728
  H      -6.516762      2.669124      6.172311
  H      -5.717505      2.181439      4.682840
  H      -5.918767     -2.014258      5.893567
  N      -2.777657      2.931431      3.458571
  N      -3.039513      3.415792      2.265819
  H      -1.326256      4.807813      4.806077
  H      -3.996073      3.328703      1.915818
  H      -2.301339      3.348256      1.565148
91
Coordinates from ORCA-job orca E -6562.701069631377
  N      -1.291375      0.985137      5.240679
  Mo     -2.729693      2.468113      5.193243
  N      -4.417276      2.619682      6.277538
  C      -4.364399      2.832480      7.733184
  C      -3.180247      2.070699      8.320472
  N      -1.959410      2.413431      7.549936
  C      -0.899991      1.375219      7.612880
  C      -1.134277      0.325282      6.545941
  C      -1.431708      3.743363      7.939622
  C      -0.813283      4.426037      6.736335
  N      -1.821322      4.498807      5.650570
  H      -0.269563     -0.362675      6.518832
  H      -2.018685     -0.293665      6.805341
  H       0.061406      1.869059      7.415181
  H      -0.852248      0.927835      8.620216
  H      -0.448649      5.432989      6.997092
  H       0.033537      3.843216      6.347744
  H      -2.264109      4.349596      8.321718
  H      -0.697636      3.650579      8.757478
  H      -5.287159      2.476492      8.213706
  H      -4.287857      3.912495      7.965929
  H      -3.371961      0.996965      8.200291
  H      -3.039198      2.290357      9.394362
  C      -2.911425     -6.571924      2.814192
  C      -2.368326     -5.256645      3.313612
  O      -1.318180     -5.191589      3.942857
  C      -3.146682     -4.003843      3.024710
  C      -4.305592     -3.988009      2.233544
  C      -4.995911     -2.798618      2.005923
  C      -4.542496     -1.632437      2.602922
  F      -5.219454     -0.490812      2.365272
  C      -3.383510     -1.600540      3.406892
  C      -2.928723     -0.371392      4.067882
  O      -3.746382      0.454427      4.522426
  C      -1.459307     -0.001539      4.188165
  C      -2.689384     -2.805972      3.581270
  C      -6.562240     10.245659      1.103884
  C      -5.507958      9.203165      1.380886
  O      -4.804358      8.747406      0.487127
  C      -5.331947      8.723344      2.795202
  C      -6.174847      9.126958      3.845393
  C      -5.985329      8.638646      5.135068
  C      -4.946927      7.746412      5.367820
  F      -4.784904      7.292857      6.634484
  C      -4.070454      7.321662      4.354553
  C      -2.941866      6.373003      4.540700
  O      -2.100804      6.208898      3.662128
  C      -2.831662      5.566990      5.830396
  C      -4.290949      7.834857      3.068049
  C      -8.000434     -4.786717      3.676781
  C      -7.127589     -3.860148      4.489183
  O      -6.151837     -4.282260      5.102111
  C      -7.466364     -2.400690      4.516713
  C      -8.510793     -1.848374      3.754486
  C      -8.754684     -0.478375      3.778741
  C      -7.938956      0.334947      4.557762
  F      -8.200641      1.664966      4.560216
  C      -6.894766     -0.169597      5.344794
  C      -5.948256      0.645428      6.177497
  O      -5.350571      0.111494      7.102120
  C      -5.688451      2.109487      5.797551
  C      -6.689890     -1.553231      5.311310
  H      -2.245012     -7.381362      3.128909
  H      -3.922586     -6.748076      3.211263
  H      -2.990142     -6.569602      1.716067
  H      -4.679777     -4.908305      1.785271
  H      -5.888434     -2.763717      1.381063
  H      -1.192299      0.437519      3.206352
  H      -0.817590     -0.889081      4.322070
  H      -1.791435     -2.843873      4.199221
  H      -6.395943     11.145854      1.714169
  H      -7.562385      9.862611      1.360392
  H      -6.536985     10.510910      0.041964
  H      -6.991074      9.826043      3.662448
  H      -6.626334      8.940320      5.963448
  H      -2.538542      6.252597      6.642684
  H      -3.807915      5.141922      6.099605
  H      -3.630919      7.522826      2.257506
  H      -9.048238     -4.734765      4.009142
  H      -7.632738     -5.812656      3.782216
  H      -7.986354     -4.500121      2.613468
  H      -9.142100     -2.484841      3.134138
  H      -9.564454     -0.029635      3.203162
  H      -6.536449      2.705173      6.190107
  H      -5.742140      2.197725      4.703752
  H      -5.881241     -1.975987      5.908687
  N      -2.782294      2.927580      3.473297
  N      -3.020692      3.433030      2.285580
  H      -1.337639      4.724905      4.751615
  H      -3.971343      3.348906      1.918823
  H      -2.271893      3.379971      1.594777
91
Coordinates from ORCA-job orca E -6562.701531715160
  N      -1.264658      1.005917      5.236499
  Mo     -2.714083      2.472979      5.211637
  N      -4.392693      2.603737      6.306951
  C      -4.335016      2.796995      7.762271
  C      -3.142952      2.038465      8.329747
  N      -1.932555      2.406885      7.559064
  C      -0.860681      1.382559      7.606432
  C      -1.089083      0.339427      6.533733
  C      -1.419987      3.733095      7.968631
  C      -0.801842      4.425827      6.775642
  N      -1.802771      4.503923      5.682315
  H      -0.215748     -0.337115      6.494485
  H      -1.963327     -0.292814      6.795639
  H       0.093281      1.889986      7.406363
  H      -0.800264      0.927063      8.609486
  H      -0.440997      5.431631      7.046154
  H       0.048491      3.847461      6.387769
  H      -2.258820      4.330024      8.352908
  H      -0.689111      3.636000      8.788818
  H      -5.252048      2.426252      8.242967
  H      -4.265591      3.874650      8.010592
  H      -3.324187      0.965318      8.193322
  H      -2.998585      2.242989      9.406440
  C      -2.839784     -6.542272      2.825102
  C      -2.294135     -5.221146      3.304036
  O      -1.226406     -5.143569      3.901810
  C      -3.093029     -3.978670      3.031583
  C      -4.267889     -3.978231      2.264429
  C      -4.978875     -2.798319      2.052384
  C      -4.529214     -1.626755      2.642020
  F      -5.225546     -0.493970      2.419221
  C      -3.354393     -1.580092      3.421364
  C      -2.902365     -0.347749      4.074814
  O      -3.718798      0.471708      4.538753
  C      -1.435501      0.028371      4.179225
  C      -2.640348     -2.775617      3.579505
  C      -6.586852     10.113251      1.041441
  C      -5.512674      9.099784      1.348657
  O      -4.788378      8.645119      0.471121
  C      -5.340173      8.650181      2.773419
  C      -6.202348      9.052968      3.808151
  C      -6.016099      8.590711      5.107903
  C      -4.962714      7.723661      5.366297
  F      -4.801541      7.300965      6.643639
  C      -4.065728      7.301923      4.369076
  C      -2.918220      6.380701      4.579065
  O      -2.060740      6.231791      3.713659
  C      -2.819923      5.564707      5.863626
  C      -4.283429      7.789258      3.072004
  C      -8.132410     -4.698718      3.587653
  C      -7.219959     -3.808013      4.396823
  O      -6.231495     -4.261579      4.965560
  C      -7.537092     -2.345358      4.475780
  C      -8.594146     -1.758643      3.757879
  C      -8.817276     -0.386463      3.823107
  C      -7.968916      0.394935      4.599487
  F      -8.211042      1.728522      4.642812
  C      -6.911087     -0.144962      5.344966
  C      -5.932187      0.636527      6.172418
  O      -5.321279      0.075540      7.071900
  C      -5.663960      2.105536      5.817299
  C      -6.726842     -1.530074      5.270567
  H      -2.154168     -7.343886      3.117897
  H      -3.834790     -6.728098      3.257756
  H      -2.956518     -6.542429      1.730089
  H      -4.637575     -4.903298      1.822029
  H      -5.884630     -2.775050      1.446354
  H      -1.181069      0.473501      3.196661
  H      -0.787982     -0.856635      4.301878
  H      -1.728749     -2.801481      4.177936
  H      -6.447863     11.027031      1.639456
  H      -7.581332      9.712083      1.292001
  H      -6.554454     10.361442     -0.024293
  H      -7.031461      9.731007      3.605128
  H      -6.671124      8.893917      5.924704
  H      -2.536744      6.247966      6.682250
  H      -3.795114      5.131945      6.121605
  H      -3.607766      7.478961      2.273981
  H      -9.167776     -4.642892      3.956370
  H      -7.776129     -5.732158      3.650597
  H      -8.149557     -4.380714      2.533451
  H      -9.250498     -2.369959      3.138386
  H      -9.635126      0.088308      3.280863
  H      -6.509451      2.699209      6.217615
  H      -5.716335      2.210957      4.724619
  H      -5.907677     -1.979104      5.833267
  N      -2.803744      2.923506      3.490230
  N      -3.092154      3.391104      2.295294
  H      -1.314161      4.762735      4.804708
  H      -4.055794      3.302556      1.966047
  H      -2.367140      3.327526      1.580813
91
Coordinates from ORCA-job orca E -6562.698797956808
  N      -1.231346      1.026735      5.242099
  Mo     -2.691722      2.477123      5.216231
  N      -4.387588      2.583821      6.285448
  C      -4.346462      2.779967      7.740862
  C      -3.155125      2.030539      8.320947
  N      -1.941025      2.402971      7.557791
  C      -0.867288      1.380169      7.617171
  C      -1.077613      0.344596      6.533578
  C      -1.433698      3.728945      7.975996
  C      -0.811040      4.424914      6.785555
  N      -1.809161      4.499300      5.690155
  H      -0.203316     -0.331294      6.502019
  H      -1.955447     -0.290722      6.775420
  H       0.088887      1.890191      7.435261
  H      -0.822254      0.919355      8.618541
  H      -0.454713      5.431536      7.059244
  H       0.043907      3.849757      6.402989
  H      -2.276124      4.323903      8.355718
  H      -0.708360      3.631039      8.800786
  H      -5.265434      2.403704      8.213260
  H      -4.286926      3.858695      7.988731
  H      -3.329045      0.956574      8.186900
  H      -3.019011      2.239642      9.397896
  C      -2.866499     -6.505591      2.796702
  C      -2.284817     -5.196600      3.264029
  O      -1.252698     -5.147730      3.924357
  C      -3.040761     -3.936673      2.956855
  C      -4.182176     -3.912781      2.141373
  C      -4.866697     -2.721350      1.910006
  C      -4.428413     -1.563344      2.533399
  F      -5.102488     -0.419183      2.299349
  C      -3.283745     -1.539454      3.356873
  C      -2.847335     -0.320401      4.042317
  O      -3.673957      0.483545      4.512255
  C      -1.384052      0.065689      4.166804
  C      -2.590156     -2.744836      3.529801
  C      -6.558460     10.137481      1.041269
  C      -5.485887      9.123153      1.351745
  O      -4.750021      8.678502      0.478818
  C      -5.336287      8.652473      2.772443
  C      -6.214795      9.039579      3.799560
  C      -6.046748      8.561020      5.095851
  C      -4.994849      7.693514      5.358844
  F      -4.851312      7.255307      6.632820
  C      -4.082567      7.286038      4.369085
  C      -2.934732      6.366331      4.582914
  O      -2.071520      6.223247      3.722042
  C      -2.834559      5.551221      5.869143
  C      -4.281807      7.790670      3.075638
  C      -8.300925     -4.769899      3.800616
  C      -7.350963     -3.879140      4.565329
  O      -6.383592     -4.346199      5.159299
  C      -7.604774     -2.401371      4.564277
  C      -8.630595     -1.809802      3.805984
  C      -8.798646     -0.428148      3.798775
  C      -7.930036      0.357337      4.547797
  F      -8.116778      1.700404      4.521217
  C      -6.901053     -0.185347      5.329709
  C      -5.911434      0.598556      6.141139
  O      -5.336836      0.056052      7.074895
  C      -5.646936      2.068733      5.779916
  C      -6.767749     -1.578724      5.323488
  H      -2.228828     -7.327485      3.137756
  H      -3.885496     -6.635062      3.194727
  H      -2.940536     -6.530540      1.698526
  H      -4.548568     -4.829560      1.679588
  H      -5.747054     -2.680016      1.268623
  H      -1.127622      0.531672      3.194236
  H      -0.727830     -0.814487      4.277987
  H      -1.706831     -2.789886      4.168053
  H      -6.426915     11.045071      1.650717
  H      -7.555133      9.732718      1.276352
  H      -6.513445     10.396693     -0.021304
  H      -7.042761      9.717906      3.592825
  H      -6.715044      8.851198      5.906616
  H      -2.559401      6.234478      6.690586
  H      -3.808031      5.111371      6.120811
  H      -3.594662      7.491210      2.283470
  H      -9.333307     -4.647444      4.161376
  H      -7.991893     -5.813534      3.919703
  H      -8.301922     -4.508123      2.730941
  H      -9.306114     -2.425312      3.211848
  H      -9.591889      0.050669      3.224481
  H      -6.502979      2.656676      6.166323
  H      -5.687784      2.169235      4.686059
  H      -5.974811     -2.029832      5.921019
  N      -2.760749      2.954076      3.501741
  N      -3.029223      3.458190      2.319470
  H      -1.345884      4.812829      4.816766
  H      -3.983396      3.366755      1.965039
  H      -2.287236      3.432050      1.620447
91
Coordinates from ORCA-job orca E -6562.701547918428
  N      -1.258971      1.005764      5.242638
  Mo     -2.712687      2.469670      5.203225
  N      -4.404811      2.595123      6.281389
  C      -4.358971      2.800736      7.738036
  C      -3.168056      2.049904      8.323358
  N      -1.951305      2.410926      7.555604
  C      -0.880885      1.383248      7.617998
  C      -1.099749      0.337450      6.543384
  C      -1.438648      3.741706      7.958422
  C      -0.818012      4.431051      6.760847
  N      -1.818623      4.500705      5.665088
  H      -0.227757     -0.341347      6.514960
  H      -1.978353     -0.292721      6.795711
  H       0.076301      1.887941      7.427289
  H      -0.832907      0.930917      8.623080
  H      -0.460582      5.439163      7.027033
  H       0.035514      3.853682      6.378586
  H      -2.278572      4.340235      8.336883
  H      -0.710155      3.649811      8.781318
  H      -5.278626      2.432009      8.214816
  H      -4.294872      3.880617      7.977262
  H      -3.347116      0.975189      8.197411
  H      -3.030289      2.265774      9.398571
  C      -2.862970     -6.546132      2.792018
  C      -2.305401     -5.233109      3.279471
  O      -1.261607     -5.173960      3.920029
  C      -3.077725     -3.978598      2.986117
  C      -4.229291     -3.960670      2.184414
  C      -4.920834     -2.771946      1.958618
  C      -4.478182     -1.609832      2.571223
  F      -5.157349     -0.468354      2.337938
  C      -3.324991     -1.579879      3.383279
  C      -2.881481     -0.354735      4.056189
  O      -3.706327      0.459108      4.517400
  C      -1.415469      0.028080      4.179575
  C      -2.626699     -2.783447      3.552799
  C      -6.550190     10.216445      1.075086
  C      -5.487176      9.186883      1.367162
  O      -4.766139      8.739250      0.483337
  C      -5.327287      8.706355      2.783283
  C      -6.188979      9.099683      3.822159
  C      -6.013310      8.610803      5.113599
  C      -4.970431      7.727459      5.359638
  F      -4.819691      7.277259      6.628754
  C      -4.075321      7.313110      4.357914
  C      -2.940365      6.374490      4.556097
  O      -2.080008      6.231223      3.692487
  C      -2.838927      5.560258      5.842489
  C      -4.281782      7.827695      3.069589
  C      -8.183854     -4.786907      3.757976
  C      -7.262639     -3.877363      4.535592
  O      -6.290243     -4.323429      5.137053
  C      -7.553080     -2.406832      4.544596
  C      -8.587824     -1.833258      3.784780
  C      -8.787758     -0.455909      3.788775
  C      -7.940833      0.343091      4.548704
  F      -8.158139      1.681144      4.530381
  C      -6.905801     -0.182099      5.334247
  C      -5.934167      0.615639      6.154503
  O      -5.343272      0.073240      7.078323
  C      -5.671357      2.083962      5.787760
  C      -6.741668     -1.571806      5.317553
  H      -2.206143     -7.360451      3.114313
  H      -3.876280     -6.705076      3.192161
  H      -2.942597     -6.553094      1.694015
  H      -4.596755     -4.879161      1.727047
  H      -5.807542     -2.734947      1.325722
  H      -1.154335      0.480129      3.201923
  H      -0.763596     -0.853525      4.303749
  H      -1.734102     -2.823300      4.178404
  H      -6.402512     11.118558      1.687971
  H      -7.549084      9.821633      1.317944
  H      -6.513333     10.481996      0.013657
  H      -7.009178      9.791249      3.628762
  H      -6.668364      8.905497      5.933470
  H      -2.558739      6.243070      6.662135
  H      -3.814735      5.126794      6.098323
  H      -3.607298      7.523672      2.268115
  H      -9.222011     -4.692486      4.110605
  H      -7.849758     -5.823115      3.874136
  H      -8.182315     -4.519302      2.689705
  H      -9.245255     -2.459003      3.180986
  H      -9.588073      0.009362      3.213115
  H      -6.523286      2.675084      6.178968
  H      -5.718882      2.181356      4.694338
  H      -5.941706     -2.010223      5.915300
  N      -2.776560      2.932321      3.484379
  N      -3.037012      3.430169      2.298107
  H      -1.331540      4.785517      4.800610
  H      -3.990805      3.338525      1.942126
  H      -2.294405      3.389544      1.600205
91
Coordinates from ORCA-job orca E -6562.701422192594
  N      -1.273691      0.999884      5.259142
  Mo     -2.715153      2.474502      5.231280
  N      -4.395729      2.624512      6.320290
  C      -4.340632      2.820299      7.776089
  C      -3.156036      2.052243      8.348476
  N      -1.940390      2.406577      7.577490
  C      -0.878076      1.371068      7.631327
  C      -1.111285      0.329874      6.556777
  C      -1.415296      3.730821      7.982550
  C      -0.787038      4.414332      6.787976
  N      -1.785856      4.495652      5.693541
  H      -0.244476     -0.355171      6.521559
  H      -1.992824     -0.294172      6.813911
  H       0.081946      1.868638      7.436075
  H      -0.827660      0.916081      8.635041
  H      -0.418603      5.418161      7.055379
  H       0.059283      3.827570      6.404071
  H      -2.249679      4.337277      8.361076
  H      -0.688472      3.630216      8.805876
  H      -5.262095      2.458406      8.255113
  H      -4.262805      3.897686      8.022112
  H      -3.347183      0.980023      8.215335
  H      -3.011068      2.258795      9.424581
  C      -2.838362     -6.523654      2.747632
  C      -2.307499     -5.209255      3.261626
  O      -1.237646     -5.135593      3.856066
  C      -3.114392     -3.966124      3.014424
  C      -4.294325     -3.958387      2.254784
  C      -5.007590     -2.776729      2.060504
  C      -4.554491     -1.610823      2.658613
  F      -5.249979     -0.475585      2.446415
  C      -3.375696     -1.571329      3.433095
  C      -2.917338     -0.343934      4.092252
  O      -3.729433      0.479255      4.561109
  C      -1.447746      0.025468      4.198493
  C      -2.661096     -2.768998      3.575196
  C      -6.622346     10.035368      1.021766
  C      -5.548820      9.021343      1.329144
  O      -4.843067      8.545357      0.447745
  C      -5.352684      8.599152      2.759173
  C      -6.195672      9.024872      3.800479
  C      -5.988379      8.587471      5.105661
  C      -4.932744      7.722733      5.362765
  F      -4.750869      7.322588      6.644508
  C      -4.054717      7.278662      4.358810
  C      -2.907604      6.357848      4.569168
  O      -2.059702      6.193706      3.697028
  C      -2.793697      5.567491      5.868596
  C      -4.293014      7.741110      3.056298
  C      -8.082642     -4.678993      3.581810
  C      -7.188535     -3.781396      4.403829
  O      -6.203342     -4.226622      4.984443
  C      -7.516395     -2.320991      4.477820
  C      -8.568926     -1.741350      3.747830
  C      -8.802045     -0.370729      3.811153
  C      -7.967188      0.416157      4.596705
  F      -8.219351      1.747874      4.637216
  C      -6.914194     -0.116831      5.353994
  C      -5.947552      0.669699      6.191236
  O      -5.337740      0.109542      7.092032
  C      -5.670029      2.135065      5.830012
  C      -6.720774     -1.500623      5.281941
  H      -2.144696     -7.325149      3.021193
  H      -3.832112     -6.732212      3.171914
  H      -2.952141     -6.496617      1.652708
  H      -4.664609     -4.878238      1.802258
  H      -5.916235     -2.747328      1.459065
  H      -1.189429      0.472913      3.218251
  H      -0.804333     -0.862781      4.319204
  H      -1.745422     -2.801011      4.166985
  H      -6.467045     10.959182      1.599496
  H      -7.614644      9.645540      1.297720
  H      -6.607672     10.263001     -0.048972
  H      -7.026172      9.701518      3.598441
  H      -6.628561      8.908354      5.927451
  H      -2.491741      6.266728      6.666856
  H      -3.767489      5.147829      6.152406
  H      -3.632261      7.412962      2.252883
  H      -9.123596     -4.630860      3.935593
  H      -7.719522     -5.709686      3.650088
  H      -8.087021     -4.361413      2.527287
  H      -9.214717     -2.357086      3.121592
  H      -9.617246      0.098667      3.260291
  H      -6.511909      2.736033      6.227258
  H      -5.719198      2.236854      4.737120
  H      -5.904917     -1.944497      5.853555
  N      -2.791251      2.921657      3.507260
  N      -3.073463      3.384694      2.310483
  H      -1.286850      4.728966      4.812542
  H      -4.034927      3.292786      1.975967
  H      -2.343286      3.328367      1.600779
91
Coordinates from ORCA-job orca E -6562.701815660540
  N      -1.259381      1.009880      5.256977
  Mo     -2.705420      2.480715      5.225490
  N      -4.394167      2.617849      6.305597
  C      -4.347113      2.812151      7.762958
  C      -3.162348      2.048299      8.342042
  N      -1.943678      2.406412      7.577235
  C      -0.879578      1.372300      7.634158
  C      -1.104581      0.334433      6.553873
  C      -1.423170      3.730994      7.988060
  C      -0.792266      4.419171      6.796363
  N      -1.787736      4.501476      5.697744
  H      -0.236696     -0.349401      6.521587
  H      -1.986829     -0.291819      6.802947
  H       0.080833      1.872161      7.446855
  H      -0.834915      0.913848      8.636536
  H      -0.427211      5.423120      7.067860
  H       0.057388      3.835607      6.414869
  H      -2.260488      4.334784      8.364420
  H      -0.699629      3.629979      8.814164
  H      -5.269371      2.445675      8.236699
  H      -4.275710      3.889708      8.010723
  H      -3.349144      0.975797      8.207801
  H      -3.023312      2.255220      9.418853
  C      -2.880067     -6.514715      2.751969
  C      -2.325983     -5.206305      3.255567
  O      -1.272584     -5.150279      3.880574
  C      -3.104461     -3.950993      2.983043
  C      -4.265954     -3.928597      2.195864
  C      -4.960016     -2.738521      1.985411
  C      -4.508571     -1.579542      2.597609
  F      -5.188140     -0.436296      2.375531
  C      -3.346407     -1.554413      3.397190
  C      -2.893511     -0.333517      4.070408
  O      -3.710891      0.484718      4.537526
  C      -1.424829      0.038298      4.190495
  C      -2.647490     -2.759523      3.552558
  C      -6.611055     10.055535      1.026271
  C      -5.539096      9.039988      1.334298
  O      -4.829503      8.567479      0.454149
  C      -5.351607      8.609418      2.763038
  C      -6.201240      9.028224      3.801819
  C      -6.000934      8.583980      5.105770
  C      -4.945468      7.719445      5.364357
  F      -4.770117      7.313104      6.644979
  C      -4.061182      7.281795      4.362884
  C      -2.913697      6.361614      4.574044
  O      -2.060776      6.204673      3.705443
  C      -2.799225      5.569868      5.873110
  C      -4.292393      7.751474      3.061693
  C      -8.139009     -4.726839      3.680192
  C      -7.228433     -3.824242      4.478323
  O      -6.252149     -4.272564      5.071714
  C      -7.532121     -2.356803      4.514762
  C      -8.572535     -1.778779      3.766160
  C      -8.785088     -0.403625      3.795361
  C      -7.944002      0.389037      4.568246
  F      -8.174795      1.725181      4.575664
  C      -6.903016     -0.141229      5.343059
  C      -5.934476      0.650733      6.172631
  O      -5.341108      0.101226      7.090670
  C      -5.663579      2.118194      5.809673
  C      -6.727582     -1.529002      5.302472
  H      -2.214183     -7.329615      3.053540
  H      -3.887975     -6.688172      3.159479
  H      -2.970858     -6.503443      1.654766
  H      -4.637871     -4.844171      1.736166
  H      -5.854304     -2.697920      1.363513
  H      -1.161777      0.491783      3.214203
  H      -0.779321     -0.848530      4.310525
  H      -1.747205     -2.803122      4.166785
  H      -6.457945     10.976432      1.609403
  H      -7.604718      9.664764      1.295684
  H      -6.590977     10.288362     -0.043235
  H      -7.031572      9.704731      3.598627
  H      -6.646455      8.899211      5.925570
  H      -2.500366      6.268032      6.673522
  H      -3.772487      5.147113      6.153783
  H      -3.626940      7.428103      2.260288
  H      -9.178708     -4.650286      4.032613
  H      -7.794706     -5.761822      3.775583
  H      -8.138295     -4.437196      2.617676
  H      -9.224755     -2.399490      3.151634
  H      -9.590271      0.064732      3.229089
  H      -6.511360      2.714001      6.202408
  H      -5.709401      2.218666      4.716402
  H      -5.922025     -1.970790      5.890058
  N      -2.770697      2.939697      3.504477
  N      -3.042180      3.416411      2.311582
  H      -1.294598      4.766532      4.826936
  H      -3.999277      3.323136      1.965326
  H      -2.304063      3.371545      1.609373
91
Coordinates from ORCA-job orca E -6562.701829299878
  N      -1.263684      1.006800      5.253137
  Mo     -2.713475      2.473551      5.224678
  N      -4.399959      2.608604      6.307812
  C      -4.349004      2.806579      7.764704
  C      -3.159324      2.047732      8.341314
  N      -1.944208      2.407368      7.570391
  C      -0.876576      1.376664      7.627309
  C      -1.101749      0.334693      6.550837
  C      -1.426063      3.735211      7.975355
  C      -0.800383      4.422383      6.779935
  N      -1.798817      4.497537      5.683435
  H      -0.231852     -0.346535      6.517709
  H      -1.981340     -0.293564      6.804426
  H       0.081552      1.878936      7.435032
  H      -0.827216      0.921895      8.631155
  H      -0.438217      5.428468      7.047203
  H       0.050296      3.840852      6.397701
  H      -2.263803      4.337072      8.353449
  H      -0.699114      3.638835      8.799071
  H      -5.268679      2.439269      8.242606
  H      -4.279472      3.884911      8.009123
  H      -3.343526      0.974299      8.210576
  H      -3.016375      2.257530      9.417005
  C      -2.841653     -6.529379      2.759292
  C      -2.296350     -5.214884      3.257184
  O      -1.241722     -5.149293      3.879093
  C      -3.089763     -3.966797      2.992904
  C      -4.259556     -3.954448      2.217830
  C      -4.964887     -2.769861      2.013345
  C      -4.515777     -1.606175      2.618468
  F      -5.207568     -0.468857      2.402945
  C      -3.346310     -1.571092      3.407037
  C      -2.895563     -0.345967      4.074934
  O      -3.714655      0.470474      4.542769
  C      -1.428178      0.032927      4.188911
  C      -2.636869     -2.770990      3.556638
  C      -6.595382     10.103188      1.038931
  C      -5.520198      9.089443      1.341425
  O      -4.806652      8.626869      0.459148
  C      -5.339622      8.642602      2.765967
  C      -6.190788      9.054808      3.806158
  C      -5.996714      8.596294      5.106087
  C      -4.946348      7.723857      5.358967
  F      -4.777486      7.302887      6.635840
  C      -4.061014      7.292054      4.356036
  C      -2.919781      6.362896      4.561878
  O      -2.064394      6.209556      3.695192
  C      -2.810986      5.564751      5.857416
  C      -4.285717      7.776186      3.059076
  C      -8.150285     -4.727544      3.667884
  C      -7.240430     -3.827173      4.469077
  O      -6.264535     -4.276739      5.062012
  C      -7.544854     -2.360297      4.511410
  C      -8.583424     -1.778761      3.763064
  C      -8.793206     -0.403267      3.795560
  C      -7.950697      0.385955      4.570492
  F      -8.176669      1.722692      4.578297
  C      -6.912368     -0.148022      5.345840
  C      -5.940710      0.640231      6.175072
  O      -5.349607      0.088897      7.093491
  C      -5.670148      2.108091      5.814779
  C      -6.740222     -1.535983      5.302629
  H      -2.166178     -7.337536      3.057644
  H      -3.845179     -6.712162      3.173109
  H      -2.939426     -6.520489      1.662693
  H      -4.630204     -4.873714      1.764513
  H      -5.866542     -2.736967      1.401633
  H      -1.170654      0.486504      3.211148
  H      -0.778275     -0.850774      4.308153
  H      -1.730515     -2.807322      4.162312
  H      -6.449383     11.019728      1.630362
  H      -7.588041      9.704985      1.301240
  H      -6.572569     10.345765     -0.028385
  H      -7.016869      9.737736      3.607241
  H      -6.643053      8.906486      5.927160
  H      -2.518699      6.257754      6.664362
  H      -3.785930      5.139528      6.129088
  H      -3.619029      7.458168      2.256481
  H      -9.190515     -4.651259      4.018810
  H      -7.806442     -5.762838      3.761600
  H      -8.147602     -4.435665      2.605942
  H      -9.235916     -2.396608      3.145898
  H      -9.596496      0.068147      3.229117
  H      -6.517679      2.703497      6.208733
  H      -5.717534      2.209275      4.721649
  H      -5.936341     -1.981060      5.890066
  N      -2.784454      2.929719      3.503155
  N      -3.062260      3.409611      2.313483
  H      -1.307958      4.762110      4.811661
  H      -4.020139      3.312399      1.970356
  H      -2.326935      3.372021      1.607848
91
Coordinates from ORCA-job orca E -6562.701830486148
  N      -1.254485      1.013637      5.249125
  Mo     -2.700887      2.483936      5.224843
  N      -4.387565      2.623309      6.307894
  C      -4.336299      2.815737      7.765989
  C      -3.150907      2.050410      8.341852
  N      -1.934185      2.405726      7.572500
  C      -0.871775      1.369100      7.626889
  C      -1.100125      0.334236      6.544515
  C      -1.409347      3.729035      7.982493
  C      -0.778889      4.415548      6.789341
  N      -1.777012      4.499607      5.693291
  H      -0.233860     -0.351516      6.509493
  H      -1.983389     -0.290782      6.792863
  H       0.089572      1.867272      7.439981
  H      -0.827675      0.908835      8.628386
  H      -0.412133      5.418928      7.060537
  H       0.069635      3.831162      6.406618
  H      -2.244979      4.335294      8.358981
  H      -0.685548      3.626344      8.808073
  H      -5.257396      2.449023      8.241542
  H      -4.263950      3.893076      8.014737
  H      -3.339840      0.978285      8.208851
  H      -3.007237      2.257894      9.417898
  C      -2.927955     -6.522792      2.822170
  C      -2.357191     -5.213528      3.303705
  O      -1.306529     -5.160815      3.933687
  C      -3.120356     -3.954140      3.009325
  C      -4.279345     -3.932163      2.218628
  C      -4.964731     -2.739774      1.993984
  C      -4.507790     -1.578197      2.596955
  F      -5.180928     -0.433313      2.364377
  C      -3.346644     -1.552189      3.398020
  C      -2.892908     -0.330077      4.067016
  O      -3.709039      0.487318      4.537781
  C      -1.423866      0.043679      4.181286
  C      -2.655418     -2.759960      3.566351
  C      -6.636582     10.041613      1.040923
  C      -5.559197      9.030117      1.343501
  O      -4.848651      8.564299      0.460553
  C      -5.367959      8.594622      2.770279
  C      -6.217640      9.005988      3.812049
  C      -6.012402      8.559351      5.114424
  C      -4.951785      7.699862      5.368471
  F      -4.771698      7.289966      6.647155
  C      -4.067826      7.269057      4.363716
  C      -2.915487      6.354304      4.570457
  O      -2.065105      6.201460      3.698506
  C      -2.787774      5.568458      5.872734
  C      -4.303444      7.741640      3.064400
  C      -8.101682     -4.704670      3.614887
  C      -7.201547     -3.808192      4.431472
  O      -6.222422     -4.258075      5.018991
  C      -7.514429     -2.343072      4.485613
  C      -8.555333     -1.761949      3.739955
  C      -8.773221     -0.387928      3.781282
  C      -7.937011      0.400731      4.563386
  F      -8.171141      1.736386      4.581281
  C      -6.895373     -0.132735      5.335128
  C      -5.929843      0.655729      6.171275
  O      -5.340087      0.102882      7.089516
  C      -5.659462      2.125528      5.814911
  C      -6.714754     -1.519541      5.282705
  H      -2.273653     -7.341235      3.139092
  H      -3.938715     -6.674899      3.231855
  H      -3.017705     -6.529642      1.724817
  H      -4.657917     -4.850543      1.770039
  H      -5.858633     -2.699928      1.371421
  H      -1.166589      0.500611      3.205078
  H      -0.775699     -0.841799      4.296165
  H      -1.759125     -2.804240      4.186328
  H      -6.486927     10.960155      1.628890
  H      -7.628136      9.644816      1.309361
  H      -6.618473     10.279817     -0.027386
  H      -7.051967      9.678557      3.612271
  H      -6.658205      8.868408      5.936358
  H      -2.481924      6.270490      6.667178
  H      -3.757851      5.145846      6.164257
  H      -3.638562      7.423261      2.260604
  H      -9.143842     -4.639888      3.962318
  H      -7.751134     -5.738720      3.696601
  H      -8.096782     -4.399162      2.556771
  H      -9.203159     -2.379304      3.117498
  H      -9.578776      0.082723      3.217438
  H      -6.505601      2.720015      6.213117
  H      -5.709256      2.230907      4.722263
  H      -5.908288     -1.963170      5.867603
  N      -2.770930      2.944530      3.503324
  N      -3.052062      3.419767      2.312663
  H      -1.285316      4.765949      4.822527
  H      -4.009482      3.318092      1.969858
  H      -2.315359      3.389869      1.608250
91
Coordinates from ORCA-job orca E -6562.701853660471
  N      -1.257856      1.014511      5.257393
  Mo     -2.704188      2.484951      5.235856
  N      -4.390722      2.622407      6.318832
  C      -4.340211      2.811619      7.777053
  C      -3.154506      2.044926      8.350775
  N      -1.937458      2.403213      7.582860
  C      -0.874179      1.367759      7.635430
  C      -1.101398      0.333917      6.551598
  C      -1.414146      3.726511      7.995330
  C      -0.781084      4.414916      6.804739
  N      -1.776351      4.500444      5.706269
  H      -0.234241     -0.350588      6.515566
  H      -1.983901     -0.292419      6.799534
  H       0.086514      1.867253      7.448857
  H      -0.829333      0.906242      8.636333
  H      -0.414385      5.417875      7.077509
  H       0.067548      3.830424      6.422497
  H      -2.250512      4.331506      8.371695
  H      -0.691362      3.623027      8.821794
  H      -5.261589      2.444308      8.251692
  H      -4.267514      3.888321      8.027875
  H      -3.343128      0.972976      8.214334
  H      -3.011581      2.248875      9.427578
  C      -2.891036     -6.509577      2.763170
  C      -2.333884     -5.200851      3.262664
  O      -1.277059     -5.144648      3.881824
  C      -3.110079     -3.944701      2.987362
  C      -4.273330     -3.922437      2.202757
  C      -4.966678     -2.731936      1.992422
  C      -4.513304     -1.572721      2.602726
  F      -5.193662     -0.429541      2.382224
  C      -3.349065     -1.547285      3.399416
  C      -2.894521     -0.326978      4.072137
  O      -3.710958      0.489815      4.543800
  C      -1.425850      0.046381      4.188061
  C      -2.650273     -2.752775      3.553453
  C      -6.640993      9.994064      1.013731
  C      -5.561807      8.987503      1.325926
  O      -4.854537      8.510023      0.446552
  C      -5.362226      8.574560      2.758166
  C      -6.205133      9.003634      3.798235
  C      -5.993573      8.575942      5.105908
  C      -4.933986      7.717142      5.366756
  F      -4.746475      7.328577      6.651164
  C      -4.056166      7.269618      4.363881
  C      -2.905181      6.354267      4.577251
  O      -2.056679      6.191047      3.705624
  C      -2.783322      5.572556      5.881515
  C      -4.298368      7.723102      3.059017
  C      -8.125658     -4.698698      3.636087
  C      -7.222930     -3.802022      4.449453
  O      -6.249034     -4.253716      5.044166
  C      -7.530731     -2.335904      4.499019
  C      -8.567866     -1.752857      3.749793
  C      -8.780376     -0.377888      3.787404
  C      -7.941787      0.409567      4.568291
  F      -8.170816      1.745903      4.582079
  C      -6.904834     -0.125947      5.344526
  C      -5.938554      0.660471      6.181728
  O      -5.343773      0.103885      7.094525
  C      -5.662771      2.128194      5.823705
  C      -6.729998     -1.513500      5.296229
  H      -2.223673     -7.324433      3.061551
  H      -3.896533     -6.682333      3.177030
  H      -2.988450     -6.499184      1.666535
  H      -4.648181     -4.838613      1.746747
  H      -5.863080     -2.691292      1.373491
  H      -1.167137      0.504650      3.212855
  H      -0.778435     -0.839755      4.302565
  H      -1.748731     -2.796746      4.165826
  H      -6.490269     10.921639      1.586646
  H      -7.630792      9.600127      1.292591
  H      -6.628155     10.216268     -0.058154
  H      -7.038712      9.675545      3.593135
  H      -6.633192      8.899981      5.926896
  H      -2.476655      6.276025      6.674366
  H      -3.755236      5.153827      6.172253
  H      -3.637983      7.392149      2.256489
  H      -9.168344     -4.627104      3.980602
  H      -7.780196     -5.733914      3.724589
  H      -8.116605     -4.399248      2.576270
  H      -9.217090     -2.369239      3.127777
  H      -9.582857      0.094466      3.220613
  H      -6.507642      2.725733      6.219738
  H      -5.710068      2.232504      4.730808
  H      -5.927225     -1.959333      5.884581
  N      -2.773569      2.946143      3.514623
  N      -3.057955      3.419383      2.324245
  H      -1.284222      4.763178      4.833609
  H      -4.016186      3.317943      1.983646
  H      -2.322876      3.391648      1.618046
91
Coordinates from ORCA-job orca E -6562.701867934705
  N      -1.258884      1.015275      5.260598
  Mo     -2.704469      2.486935      5.239594
  N      -4.391394      2.624333      6.321731
  C      -4.341813      2.812345      7.780293
  C      -3.156486      2.044873      8.354132
  N      -1.938676      2.403121      7.587157
  C      -0.875958      1.366910      7.639414
  C      -1.103075      0.333838      6.554609
  C      -1.414942      3.726050      8.000670
  C      -0.779632      4.414471      6.811203
  N      -1.773114      4.501454      5.711112
  H      -0.236174     -0.351001      6.518555
  H      -1.985970     -0.292284      6.801777
  H       0.085116      1.865995      7.453756
  H      -0.831915      0.904594      8.639994
  H      -0.412370      5.416985      7.084847
  H       0.068958      3.829341      6.429858
  H      -2.251337      4.331495      8.376218
  H      -0.693267      3.621729      8.828018
  H      -5.263528      2.444770      8.254096
  H      -4.269144      3.888837      8.031922
  H      -3.345455      0.973052      8.216742
  H      -3.014183      2.247873      9.431195
  C      -2.886228     -6.504442      2.748955
  C      -2.328483     -5.195379      3.247137
  O      -1.272937     -5.139464      3.868475
  C      -3.108741     -3.940039      2.979210
  C      -4.274038     -3.917167      2.197610
  C      -4.969904     -2.727091      1.992899
  C      -4.516634     -1.568937      2.605351
  F      -5.200112     -0.426261      2.391305
  C      -3.350590     -1.544224      3.399299
  C      -2.895586     -0.324799      4.073577
  O      -3.712099      0.491836      4.545613
  C      -1.426761      0.047801      4.190495
  C      -2.649912     -2.749209      3.548504
  C      -6.647228      9.973911      1.005793
  C      -5.563690      8.972896      1.320696
  O      -4.859991      8.489711      0.441551
  C      -5.360658      8.566593      2.754322
  C      -6.201669      8.999700      3.794264
  C      -5.987145      8.577753      5.103343
  C      -4.926542      7.720641      5.365634
  F      -4.736550      7.336748      6.651115
  C      -4.050690      7.269228      4.362909
  C      -2.899699      6.354390      4.577980
  O      -2.050538      6.190366      3.707179
  C      -2.778139      5.575771      5.884108
  C      -4.295774      7.716907      3.056617
  C      -8.130449     -4.696965      3.638085
  C      -7.226118     -3.800761      4.450196
  O      -6.252088     -4.253048      5.044192
  C      -7.532541     -2.334414      4.499783
  C      -8.570206     -1.750603      3.751904
  C      -8.781877     -0.375543      3.790177
  C      -7.941868      0.411179      4.570294
  F      -8.170320      1.747531      4.584855
  C      -6.904263     -0.125096      5.345171
  C      -5.935862      0.660532      6.180825
  O      -5.345543      0.105492      7.097471
  C      -5.662660      2.129322      5.825557
  C      -6.730395     -1.512727      5.296299
  H      -2.217953     -7.319018      3.046057
  H      -3.890811     -6.677718      3.164671
  H      -2.985712     -6.494098      1.652539
  H      -4.648266     -4.832385      1.739178
  H      -5.867760     -2.685835      1.376128
  H      -1.167248      0.506584      3.215719
  H      -0.780034     -0.838914      4.304793
  H      -1.746294     -2.793359      4.157844
  H      -6.497949     10.905572      1.572354
  H      -7.634801      9.578328      1.290274
  H      -6.638604     10.189461     -0.067498
  H      -7.036034      9.670278      3.587992
  H      -6.625251      8.904944      5.924258
  H      -2.469953      6.280788      6.675005
  H      -3.750635      5.159457      6.176468
  H      -3.636986      7.382640      2.254136
  H      -9.172805     -4.624248      3.983353
  H      -7.785868     -5.732456      3.726817
  H      -8.121914     -4.398069      2.578111
  H      -9.220861     -2.366485      3.130874
  H      -9.584914      0.097388      3.224649
  H      -6.508651      2.725102      6.222026
  H      -5.709333      2.235159      4.732845
  H      -5.927262     -1.959269      5.883618
  N      -2.771680      2.948666      3.518275
  N      -3.057119      3.421422      2.328145
  H      -1.278463      4.762501      4.839679
  H      -4.015382      3.319646      1.987763
  H      -2.322118      3.396048      1.621799
91
Coordinates from ORCA-job orca E -6562.701881926205
  N      -1.255119      1.017134      5.263850
  Mo     -2.700373      2.489202      5.244382
  N      -4.387587      2.627386      6.325631
  C      -4.338199      2.814628      7.784523
  C      -3.153700      2.045828      8.358326
  N      -1.935469      2.402804      7.591323
  C      -0.874010      1.365090      7.643524
  C      -1.101315      0.333635      6.557157
  C      -1.410113      3.724954      8.005507
  C      -0.772058      4.412298      6.816792
  N      -1.764185      4.500885      5.715705
  H      -0.235180     -0.352170      6.520971
  H      -1.985173     -0.291774      6.802685
  H       0.087923      1.863103      7.459537
  H      -0.831716      0.901565      8.643609
  H      -0.403741      5.414270      7.090964
  H       0.076189      3.826023      6.436480
  H      -2.246203      4.331842      8.379480
  H      -0.689968      3.619574      8.834065
  H      -5.260309      2.447663      8.257966
  H      -4.264635      3.890975      8.036468
  H      -3.343843      0.974282      8.220724
  H      -3.011077      2.248510      9.435408
  C      -2.884084     -6.500806      2.748725
  C      -2.326673     -5.192358      3.248864
  O      -1.271899     -5.137271      3.871590
  C      -3.105420     -3.936376      2.979557
  C      -4.269063     -3.912536      2.195555
  C      -4.963808     -2.721956      1.989906
  C      -4.511192     -1.564360      2.603901
  F      -5.193279     -0.421083      2.388538
  C      -3.346614     -1.540557      3.399987
  C      -2.892007     -0.321652      4.075485
  O      -3.708658      0.494283      4.548724
  C      -1.423139      0.051116      4.192429
  C      -2.646885     -2.745999      3.550040
  C      -6.666904      9.938248      1.001068
  C      -5.579528      8.941712      1.316956
  O      -4.877025      8.456883      0.437731
  C      -5.369100      8.544264      2.751981
  C      -6.206879      8.980847      3.793111
  C      -5.985493      8.566985      5.103660
  C      -4.921250      7.714472      5.366146
  F      -4.724364      7.337911      6.652735
  C      -4.048567      7.259929      4.362213
  C      -2.894939      6.348785      4.577803
  O      -2.045082      6.186974      3.707269
  C      -2.767703      5.576806      5.887590
  C      -4.300227      7.699646      3.054523
  C      -8.142870     -4.680025      3.623480
  C      -7.235873     -3.788084      4.437326
  O      -6.261328     -4.243878      5.027769
  C      -7.539752     -2.321396      4.492190
  C      -8.577616     -1.733440      3.747825
  C      -8.786902     -0.358163      3.790811
  C      -7.944445      0.424625      4.572227
  F      -8.170584      1.761340      4.591356
  C      -6.906338     -0.115849      5.343554
  C      -5.935345      0.665485      6.180223
  O      -5.345749      0.106925      7.095171
  C      -5.659650      2.134778      5.828519
  C      -6.734853     -1.503613      5.289940
  H      -2.216312     -7.315825      3.045738
  H      -3.889076     -6.674165      3.163448
  H      -2.982632     -6.489469      1.652240
  H      -4.642885     -4.827375      1.736006
  H      -5.860270     -2.679822      1.371168
  H      -1.164146      0.511654      3.218339
  H      -0.776142     -0.835575      4.305214
  H      -1.744604     -2.790924      4.161277
  H      -6.518708     10.872750      1.563245
  H      -7.652397      9.540874      1.290269
  H      -6.662213     10.149220     -0.073149
  H      -7.044030      9.647866      3.586621
  H      -6.620994      8.896948      5.925487
  H      -2.455580      6.285801      6.673458
  H      -3.739110      5.162485      6.186404
  H      -3.644091      7.362464      2.251104
  H      -9.184702     -4.606533      3.970130
  H      -7.800027     -5.716411      3.708391
  H      -8.134981     -4.377715      2.564459
  H      -9.230401     -2.346242      3.125987
  H      -9.590137      0.117920      3.228214
  H      -6.504716      2.730972      6.226354
  H      -5.706233      2.243223      4.736087
  H      -5.931571     -1.953340      5.874621
  N      -2.766390      2.951351      3.522670
  N      -3.056047      3.422111      2.333209
  H      -1.267793      4.761056      4.845274
  H      -4.014341      3.317276      1.993981
  H      -2.321422      3.404365      1.626308
91
Coordinates from ORCA-job orca E -6562.701907000371
  N      -1.253232      1.024615      5.268323
  Mo     -2.694776      2.500476      5.257530
  N      -4.381781      2.639333      6.337762
  C      -4.332216      2.820413      7.797749
  C      -3.150034      2.045743      8.368355
  N      -1.930819      2.400785      7.601900
  C      -0.873320      1.358594      7.650469
  C      -1.102848      0.333678      6.558332
  C      -1.400151      3.718998      8.021746
  C      -0.754032      4.406028      6.837270
  N      -1.742115      4.502689      5.733333
  H      -0.238967     -0.354779      6.519395
  H      -1.989056     -0.290020      6.799630
  H       0.090877      1.853711      7.470767
  H      -0.834748      0.889846      8.648222
  H      -0.382168      5.405489      7.115654
  H       0.092881      3.817087      6.458210
  H      -2.234900      4.329373      8.393195
  H      -0.684292      3.607778      8.853268
  H      -5.255209      2.453634      8.269542
  H      -4.256138      3.895612      8.053763
  H      -3.344040      0.975451      8.226916
  H      -3.005933      2.244112      9.446027
  C      -2.914406     -6.482442      2.740788
  C      -2.349031     -5.177629      3.241257
  O      -1.296009     -5.129348      3.867518
  C      -3.119990     -3.917160      2.971020
  C      -4.281185     -3.886505      2.183688
  C      -4.969678     -2.692332      1.978184
  C      -4.513747     -1.538243      2.596197
  F      -5.189682     -0.391272      2.380806
  C      -3.351034     -1.521130      3.395109
  C      -2.893532     -0.305779      4.074945
  O      -3.708542      0.509185      4.552090
  C      -1.423916      0.064200      4.192197
  C      -2.657008     -2.729952      3.544493
  C      -6.706710      9.835513      0.979329
  C      -5.604724      8.858311      1.304825
  O      -4.901235      8.368182      0.429270
  C      -5.381113      8.486640      2.744720
  C      -6.216954      8.931252      3.784054
  C      -5.982715      8.541606      5.099832
  C      -4.907993      7.704547      5.369140
  F      -4.697275      7.352324      6.660376
  C      -4.037033      7.242976      4.367052
  C      -2.873834      6.346165      4.589904
  O      -2.023356      6.184965      3.719958
  C      -2.740172      5.583713      5.904914
  C      -4.301032      7.658855      3.054130
  C      -8.131302     -4.656230      3.602907
  C      -7.228376     -3.767489      4.424759
  O      -6.256837     -4.225740      5.018315
  C      -7.531619     -2.300688      4.482158
  C      -8.565015     -1.710056      3.733645
  C      -8.773356     -0.334700      3.778696
  C      -7.934803      0.445524      4.566810
  F      -8.159095      1.782609      4.586807
  C      -6.901342     -0.097618      5.342466
  C      -5.934108      0.680859      6.186047
  O      -5.346654      0.118498      7.099992
  C      -5.654852      2.150678      5.838568
  C      -6.730467     -1.485425      5.286240
  H      -2.251534     -7.301669      3.037191
  H      -3.920098     -6.649274      3.156834
  H      -3.014218     -6.470423      1.644467
  H      -4.657988     -4.798796      1.721480
  H      -5.864012     -2.644609      1.356772
  H      -1.165891      0.530113      3.220406
  H      -0.777864     -0.823782      4.299494
  H      -1.757086     -2.780325      4.158687
  H      -6.569334     10.779832      1.527698
  H      -7.685383      9.428534      1.278291
  H      -6.709272     10.031192     -0.097771
  H      -7.062327      9.586047      3.572071
  H      -6.616041      8.878786      5.920408
  H      -2.419889      6.297564      6.683234
  H      -3.710683      5.174569      6.213562
  H      -3.646456      7.315353      2.252136
  H      -9.175471     -4.581891      3.942168
  H      -7.790560     -5.693311      3.687712
  H      -8.115310     -4.351531      2.544630
  H      -9.214772     -2.320713      3.106559
  H      -9.572930      0.143457      3.212653
  H      -6.498691      2.747733      6.237609
  H      -5.700507      2.262494      4.746405
  H      -5.930567     -1.936999      5.874130
  N      -2.759009      2.967291      3.535733
  N      -3.063593      3.435468      2.349825
  H      -1.241108      4.761395      4.865532
  H      -4.023023      3.323674      2.016439
  H      -2.332535      3.439575      1.639187
91
Coordinates from ORCA-job orca E -6562.701922645433
  N      -1.242540      1.034148      5.283013
  Mo     -2.678663      2.515846      5.280118
  N      -4.366260      2.656539      6.358201
  C      -4.318709      2.827909      7.819794
  C      -3.141365      2.044296      8.387862
  N      -1.919277      2.397651      7.625404
  C      -0.867483      1.349298      7.669353
  C      -1.099180      0.333561      6.568910
  C      -1.382624      3.710604      8.053867
  C      -0.724998      4.398058      6.875977
  N      -1.706144      4.506226      5.767208
  H      -0.238584     -0.358804      6.527235
  H      -1.989073     -0.287408      6.803410
  H       0.100063      1.840277      7.496626
  H      -0.834864      0.872831      8.663620
  H      -0.348314      5.393898      7.160769
  H       0.120199      3.805319      6.499112
  H      -2.216065      4.325250      8.421419
  H      -0.673330      3.591528      8.889911
  H      -5.244243      2.462109      8.287394
  H      -4.238463      3.901167      8.082401
  H      -3.340465      0.975857      8.239808
  H      -2.998177      2.235923      9.466879
  C      -2.924067     -6.450709      2.705810
  C      -2.356843     -5.151384      3.218328
  O      -1.302505     -5.109997      3.842876
  C      -3.122848     -3.886676      2.954015
  C      -4.282091     -3.847428      2.164202
  C      -4.966717     -2.649929      1.965025
  C      -4.508349     -1.501204      2.591209
  F      -5.180736     -0.350840      2.382558
  C      -3.347138     -1.492698      3.392323
  C      -2.886956     -0.282779      4.079928
  O      -3.700091      0.531273      4.561672
  C      -1.416070      0.081424      4.200398
  C      -2.657393     -2.704602      3.536051
  C      -6.782551      9.642034      0.940634
  C      -5.664518      8.688760      1.282001
  O      -4.971397      8.173620      0.412491
  C      -5.411063      8.373298      2.730292
  C      -6.235380      8.843867      3.767408
  C      -5.973787      8.505082      5.092146
  C      -4.883450      7.692240      5.372505
  F      -4.644391      7.390517      6.671507
  C      -4.023220      7.206775      4.372556
  C      -2.845795      6.332096      4.607140
  O      -1.997725      6.165460      3.736002
  C      -2.696615      5.594836      5.934840
  C      -4.314130      7.572076      3.050434
  C      -8.160608     -4.594377      3.563458
  C      -7.253008     -3.718515      4.394033
  O      -6.285705     -4.188232      4.985496
  C      -7.545722     -2.250027      4.461927
  C      -8.573888     -1.646576      3.716426
  C      -8.772802     -0.270202      3.771475
  C      -7.930118      0.498149      4.566760
  F      -8.145583      1.836572      4.597156
  C      -6.901356     -0.057993      5.339500
  C      -5.930131      0.707785      6.190017
  O      -5.350469      0.136323      7.103268
  C      -5.641348      2.178324      5.853366
  C      -6.739996     -1.446492      5.273168
  H      -2.261593     -7.273433      2.993279
  H      -3.929083     -6.620347      3.122417
  H      -3.026164     -6.428241      1.609886
  H      -4.660199     -4.755502      1.694834
  H      -5.859626     -2.595475      1.342126
  H      -1.156097      0.553168      3.231967
  H      -0.773239     -0.809555      4.302159
  H      -1.758910     -2.761380      4.151784
  H      -6.647925     10.605900      1.454627
  H      -7.751693      9.234444      1.268494
  H      -6.803928      9.800657     -0.142322
  H      -7.093207      9.479318      3.546724
  H      -6.597549      8.863666      5.910976
  H      -2.360110      6.322785      6.693449
  H      -3.663613      5.196203      6.266473
  H      -3.668427      7.208366      2.250191
  H      -9.205173     -4.514641      3.900186
  H      -7.827929     -5.634606      3.641451
  H      -8.139192     -4.282022      2.507491
  H      -9.226775     -2.247922      3.083633
  H      -9.568210      0.217763      3.207948
  H      -6.482134      2.777700      6.255190
  H      -5.684264      2.298257      4.761950
  H      -5.943793     -1.907767      5.858521
  N      -2.736519      2.989522      3.558600
  N      -3.053721      3.453048      2.375053
  H      -1.199151      4.759249      4.899527
  H      -4.014210      3.337415      2.046534
  H      -2.325342      3.476754      1.662268
91
Coordinates from ORCA-job orca E -6562.701935876033
  N      -1.247030      1.035912      5.283346
  Mo     -2.681244      2.519418      5.282903
  N      -4.368760      2.657250      6.360833
  C      -4.321698      2.826858      7.822494
  C      -3.144543      2.042077      8.389219
  N      -1.922249      2.396897      7.627690
  C      -0.870799      1.348224      7.669821
  C      -1.103059      0.333814      6.568232
  C      -1.385530      3.708859      8.059001
  C      -0.726458      4.398276      6.883089
  N      -1.705659      4.508124      5.772667
  H      -0.242458     -0.358498      6.525538
  H      -1.992947     -0.287351      6.802268
  H       0.096852      1.839078      7.497387
  H      -0.837897      0.870368      8.663441
  H      -0.350092      5.393689      7.169796
  H       0.119244      3.806197      6.506368
  H      -2.219081      4.322972      8.427101
  H      -0.676943      3.588130      8.895425
  H      -5.247394      2.460601      8.289424
  H      -4.241292      3.899736      8.086472
  H      -3.343754      0.973884      8.238946
  H      -3.001672      2.231466      9.468659
  C      -2.928237     -6.443806      2.689292
  C      -2.362366     -5.145600      3.206291
  O      -1.310039     -5.105839      3.834307
  C      -3.128576     -3.880292      2.944933
  C      -4.287449     -3.838960      2.154672
  C      -4.971232     -2.640688      1.957126
  C      -4.512284     -1.493148      2.585106
  F      -5.183540     -0.341889      2.377544
  C      -3.351982     -1.486941      3.387505
  C      -2.891468     -0.278135      4.077480
  O      -3.704565      0.535383      4.559653
  C      -1.420528      0.085018      4.199393
  C      -2.663053     -2.699483      3.529596
  C      -6.774007      9.629980      0.928808
  C      -5.655381      8.679175      1.275168
  O      -4.960040      8.162324      0.408416
  C      -5.403362      8.369096      2.724854
  C      -6.230835      8.840263      3.759196
  C      -5.971117      8.505297      5.085312
  C      -4.879404      7.695732      5.369744
  F      -4.642612      7.396326      6.669744
  C      -4.016010      7.210118      4.372729
  C      -2.838050      6.337485      4.611889
  O      -1.985026      6.174085      3.745078
  C      -2.695215      5.597703      5.938833
  C      -4.305107      7.571289      3.049128
  C      -8.152617     -4.602943      3.577252
  C      -7.243219     -3.723168      4.401666
  O      -6.273223     -4.189566      4.991306
  C      -7.539742     -2.255466      4.469075
  C      -8.570804     -1.655112      3.725125
  C      -8.773506     -0.279308      3.780335
  C      -7.931493      0.491653      4.573830
  F      -8.151801      1.829227      4.605198
  C      -6.900016     -0.061417      5.345155
  C      -5.929545      0.706907      6.194277
  O      -5.346733      0.136807      7.106419
  C      -5.642793      2.177143      5.855721
  C      -6.735102     -1.449490      5.278941
  H      -2.265900     -7.267043      2.975612
  H      -3.933824     -6.615027      3.103769
  H      -3.028690     -6.418498      1.593298
  H      -4.665864     -4.745938      1.683476
  H      -5.863698     -2.584606      1.333732
  H      -1.159839      0.557803      3.231631
  H      -0.778480     -0.806675      4.300200
  H      -1.764936     -2.757762      4.145748
  H      -6.641869     10.596021      1.439274
  H      -7.742979      9.222008      1.256708
  H      -6.794036      9.784578     -0.154768
  H      -7.089978      9.472807      3.535261
  H      -6.597466      8.864265      5.901995
  H      -2.361016      6.323369      6.700583
  H      -3.664110      5.199677      6.265614
  H      -3.656868      7.207092      2.251148
  H      -9.195959     -4.524276      3.918017
  H      -7.817643     -5.642329      3.656687
  H      -8.136054     -4.293376      2.520382
  H      -9.223095     -2.258358      3.093504
  H      -9.571327      0.206262      3.218148
  H      -6.484599      2.775908      6.256299
  H      -5.685085      2.295678      4.764149
  H      -5.936708     -1.908483      5.863135
  N      -2.738606      2.996658      3.562243
  N      -3.060763      3.464953      2.381795
  H      -1.198809      4.760409      4.907354
  H      -4.022880      3.353220      2.056730
  H      -2.335271      3.491177      1.666169
91
Coordinates from ORCA-job orca E -6562.701946192334
  N      -1.241828      1.037428      5.293380
  Mo     -2.671947      2.524648      5.292572
  N      -4.359087      2.664456      6.370130
  C      -4.313265      2.832046      7.831844
  C      -3.138696      2.043598      8.398510
  N      -1.914934      2.397424      7.639293
  C      -0.866044      1.346378      7.680256
  C      -1.100268      0.333815      6.577415
  C      -1.376160      3.707423      8.073300
  C      -0.714329      4.397185      6.899249
  N      -1.691357      4.510216      5.787558
  H      -0.241023     -0.360197      6.534296
  H      -1.991516     -0.285788      6.810381
  H       0.102868      1.835075      7.508779
  H      -0.834358      0.866906      8.673177
  H      -0.336431      5.391535      7.187698
  H       0.130779      3.803941      6.522986
  H      -2.208936      4.322888      8.440954
  H      -0.669128      3.583983      8.910641
  H      -5.240438      2.467690      8.297337
  H      -4.230162      3.904335      8.097388
  H      -3.340064      0.976139      8.246046
  H      -2.997146      2.230819      9.478548
  C      -2.936262     -6.427778      2.663222
  C      -2.368039     -5.133282      3.186963
  O      -1.317134     -5.099135      3.817696
  C      -3.132290     -3.865347      2.932900
  C      -4.291022     -3.817754      2.142779
  C      -4.973101     -2.617420      1.951856
  C      -4.512274     -1.474036      2.586086
  F      -5.181605     -0.320590      2.384785
  C      -3.351770     -1.474099      3.388290
  C      -2.888720     -0.269005      4.083292
  O      -3.699880      0.545341      4.567182
  C      -1.416849      0.088985      4.207720
  C      -2.665085     -2.688556      3.524297
  C      -6.804246      9.544146      0.911403
  C      -5.681945      8.600594      1.265697
  O      -4.994326      8.067332      0.402705
  C      -5.418633      8.315611      2.718514
  C      -6.244317      8.795110      3.750387
  C      -5.975104      8.481465      5.079860
  C      -4.875407      7.684909      5.370093
  F      -4.629419      7.405338      6.672780
  C      -4.012950      7.192666      4.375569
  C      -2.826935      6.332935      4.621140
  O      -1.972873      6.170334      3.755275
  C      -2.679438      5.601426      5.952108
  C      -4.311848      7.531923      3.048383
  C      -8.166166     -4.576057      3.566584
  C      -7.255487     -3.701453      4.395124
  O      -6.289309     -4.172879      4.986986
  C      -7.544858     -2.232315      4.462552
  C      -8.570265     -1.626256      3.715479
  C      -8.766750     -0.249556      3.771428
  C      -7.924200      0.516442      4.569123
  F      -8.137980      1.855068      4.601017
  C      -6.898148     -0.042425      5.343502
  C      -5.927581      0.720661      6.197103
  O      -5.349227      0.146584      7.109609
  C      -5.634225      2.190412      5.862043
  C      -6.739292     -1.431098      5.276199
  H      -2.276316     -7.253835      2.946941
  H      -3.943017     -6.598871      3.074853
  H      -3.034509     -6.397017      1.567156
  H      -4.670369     -4.721407      1.665994
  H      -5.865527     -2.556777      1.328845
  H      -1.152849      0.561601      3.240784
  H      -0.778291     -0.805306      4.308310
  H      -1.766833     -2.751425      4.139821
  H      -6.668862     10.519017      1.403920
  H      -7.770394      9.141446      1.253805
  H      -6.832863      9.679590     -0.174542
  H      -7.110112      9.416931      3.521989
  H      -6.600385      8.846950      5.894465
  H      -2.339927      6.332319      6.706735
  H      -3.646760      5.206846      6.287063
  H      -3.664599      7.161561      2.252459
  H      -9.210085     -4.493654      3.904708
  H      -7.835798     -5.616982      3.645208
  H      -8.145487     -4.264743      2.510311
  H      -9.222718     -2.225716      3.080424
  H      -9.559920      0.240414      3.206495
  H      -6.474176      2.791698      6.262826
  H      -5.674499      2.311565      4.770719
  H      -5.945147     -1.894453      5.862731
  N      -2.725461      3.003532      3.572193
  N      -3.049222      3.471887      2.391925
  H      -1.181706      4.759627      4.924265
  H      -4.012983      3.365537      2.069953
  H      -2.325656      3.494744      1.674286
91
Coordinates from ORCA-job orca E -6562.701959147987
  N      -1.236190      1.040733      5.303116
  Mo     -2.659790      2.533741      5.302746
  N      -4.347396      2.675310      6.378787
  C      -4.303837      2.839010      7.840733
  C      -3.133058      2.044939      8.407143
  N      -1.906808      2.397556      7.651808
  C      -0.861796      1.343003      7.690889
  C      -1.098835      0.333868      6.585474
  C      -1.364985      3.704459      8.090514
  C      -0.698475      4.395397      6.919861
  N      -1.671896      4.513817      5.805947
  H      -0.242022     -0.363137      6.541750
  H      -1.992569     -0.283021      6.816043
  H       0.109043      1.828485      7.521229
  H      -0.832266      0.860737      8.682571
  H      -0.318479      5.387982      7.211604
  H       0.145869      3.800698      6.544135
  H      -2.196687      4.321535      8.457874
  H      -0.660213      3.576757      8.929146
  H      -5.233326      2.477125      8.303516
  H      -4.217099      3.910257      8.109349
  H      -3.337541      0.978654      8.250622
  H      -2.993631      2.228063      9.488179
  C      -2.957930     -6.408534      2.642221
  C      -2.386016     -5.118819      3.173728
  O      -1.336403     -5.091883      3.806945
  C      -3.144182     -3.846551      2.923239
  C      -4.301760     -3.790983      2.131994
  C      -4.978231     -2.586983      1.944395
  C      -4.512925     -1.447814      2.582934
  F      -5.176508     -0.290715      2.384290
  C      -3.353445     -1.455893      3.386669
  C      -2.886180     -0.255088      4.086621
  O      -3.694526      0.561182      4.571730
  C      -1.413071      0.096032      4.214813
  C      -2.672441     -2.673906      3.519247
  C      -6.841572      9.434180      0.892537
  C      -5.714556      8.500110      1.256819
  O      -5.034322      7.948816      0.399243
  C      -5.437099      8.247091      2.712835
  C      -6.261758      8.735338      3.741344
  C      -5.980797      8.448446      5.074490
  C      -4.870119      7.669894      5.371600
  F      -4.612359      7.415517      6.677166
  C      -4.007361      7.171683      4.380446
  C      -2.810245      6.330001      4.633889
  O      -1.952216      6.173621      3.771004
  C      -2.657245      5.607441      5.969161
  C      -4.318254      7.483480      3.049387
  C      -8.170866     -4.544542      3.548206
  C      -7.258639     -3.674769      4.380054
  O      -6.295096     -4.150658      4.972668
  C      -7.544075     -2.205012      4.451485
  C      -8.565060     -1.593354      3.702961
  C      -8.757296     -0.216162      3.762496
  C      -7.914805      0.544657      4.565209
  F      -8.123714      1.884024      4.599816
  C      -6.893345     -0.019979      5.341393
  C      -5.922225      0.737696      6.199022
  O      -5.349811      0.160434      7.113295
  C      -5.623014      2.206816      5.867157
  C      -6.738856     -1.408934      5.270548
  H      -2.301856     -7.238465      2.923598
  H      -3.966459     -6.578087      3.050135
  H      -3.053050     -6.371851      1.546041
  H      -4.684623     -4.691270      1.651647
  H      -5.869811     -2.520406      1.320771
  H      -1.144672      0.569246      3.249407
  H      -0.778989     -0.801568      4.314731
  H      -1.775516     -2.743087      4.135995
  H      -6.703621     10.419594      1.362803
  H      -7.803993      9.037458      1.251930
  H      -6.880167      9.546140     -0.195789
  H      -7.136563      9.342414      3.507615
  H      -6.605499      8.820942      5.886353
  H      -2.311134      6.343755      6.715767
  H      -3.622767      5.217053      6.313432
  H      -3.671163      7.107024      2.256206
  H      -9.214786     -4.460283      3.885939
  H      -7.843404     -5.586581      3.624209
  H      -8.148651     -4.230289      2.492847
  H      -9.217121     -2.188699      3.063622
  H      -9.546735      0.278119      3.196104
  H      -6.461620      2.810776      6.266761
  H      -5.660349      2.329548      4.775888
  H      -5.948097     -1.876672      5.858177
  N      -2.709009      3.016735      3.583302
  N      -3.036041      3.487786      2.404924
  H      -1.159408      4.762267      4.943897
  H      -4.001920      3.388149      2.087324
  H      -2.315566      3.513667      1.684384
91
Coordinates from ORCA-job orca E -6562.701983077202
  N      -1.218017      1.047796      5.325351
  Mo     -2.626494      2.554151      5.324646
  N      -4.315913      2.702589      6.396161
  C      -4.277528      2.858623      7.858885
  C      -3.116276      2.051338      8.425992
  N      -1.883928      2.398819      7.678965
  C      -0.848417      1.335486      7.715351
  C      -1.091635      0.333743      6.604479
  C      -1.333989      3.698820      8.126792
  C      -0.656735      4.391003      6.962892
  N      -1.622633      4.521270      5.844314
  H      -0.241003     -0.370805      6.560281
  H      -1.991631     -0.276113      6.829149
  H       0.127145      1.812920      7.550058
  H      -0.824905      0.847760      8.704598
  H      -0.271901      5.379672      7.261435
  H       0.185836      3.792754      6.588747
  H      -2.162724      4.320496      8.493181
  H      -0.634198      3.561885      8.968171
  H      -5.212598      2.503722      8.315633
  H      -4.181645      3.927617      8.133621
  H      -3.328859      0.987841      8.261623
  H      -2.981256      2.226439      9.508935
  C      -3.001575     -6.368923      2.610051
  C      -2.421041     -5.089226      3.156227
  O      -1.377791     -5.078364      3.800336
  C      -3.162914     -3.807101      2.907556
  C      -4.314096     -3.734169      2.108545
  C      -4.976382     -2.521878      1.923719
  C      -4.503316     -1.391623      2.572376
  F      -5.153138     -0.226439      2.376448
  C      -3.349459     -1.417078      3.383892
  C      -2.874193     -0.225419      4.094239
  O      -3.676692      0.595478      4.581072
  C      -1.398531      0.110835      4.231407
  C      -2.682725     -2.643210      3.513826
  C      -6.941300      9.157963      0.861090
  C      -5.799065      8.251612      1.247140
  O      -5.132234      7.663131      0.403667
  C      -5.487502      8.074598      2.707233
  C      -6.309712      8.581205      3.728664
  C      -5.999425      8.358526      5.067753
  C      -4.861177      7.626148      5.377436
  F      -4.574346      7.431569      6.687175
  C      -3.998366      7.115743      4.392902
  C      -2.774038      6.319577      4.661120
  O      -1.910329      6.177486      3.801832
  C      -2.602586      5.619588      6.006475
  C      -4.338828      7.361977      3.055625
  C      -8.199045     -4.452489      3.490247
  C      -7.282020     -3.598720      4.333159
  O      -6.323242     -4.088081      4.922521
  C      -7.554475     -2.127116      4.417052
  C      -8.565456     -1.498831      3.668817
  C      -8.744687     -0.120396      3.739858
  C      -7.898995      0.624960      4.553604
  F      -8.095296      1.965971      4.599331
  C      -6.887131      0.043397      5.329860
  C      -5.912597      0.784073      6.198325
  O      -5.351063      0.194042      7.111220
  C      -5.594436      2.251239      5.876288
  C      -6.745934     -1.346312      5.247562
  H      -2.357058     -7.207733      2.891789
  H      -4.015839     -6.531131      3.006583
  H      -3.085417     -6.323160      1.513250
  H      -4.703390     -4.627403      1.620207
  H      -5.863125     -2.442263      1.294736
  H      -1.120483      0.585779      3.269610
  H      -0.773916     -0.793623      4.329900
  H      -1.791582     -2.726129      4.137167
  H      -6.802546     10.166270      1.279768
  H      -7.892888      8.771996      1.258912
  H      -7.003081      9.215841     -0.230407
  H      -7.206663      9.151040      3.485246
  H      -6.622750      8.745534      5.873860
  H      -2.240302      6.369073      6.732676
  H      -3.562090      5.237880      6.374981
  H      -3.692931      6.972003      2.268043
  H      -9.242773     -4.363634      3.827504
  H      -7.879838     -5.497792      3.555832
  H      -8.172883     -4.127285      2.438320
  H      -9.219924     -2.081948      3.020694
  H      -9.526432      0.386528      3.173975
  H      -6.427567      2.863334      6.274886
  H      -5.625375      2.379880      4.785513
  H      -5.962994     -1.827039      5.835195
  N      -2.664528      3.046912      3.607283
  N      -2.997479      3.526682      2.434476
  H      -1.104533      4.769897      4.985139
  H      -3.967278      3.441561      2.125157
  H      -2.282790      3.562621      1.708909
91
Coordinates from ORCA-job orca E -6562.702054521400
  N      -1.187272      1.063538      5.364274
  Mo     -2.566672      2.595195      5.360179
  N      -4.260877      2.761080      6.420327
  C      -4.234461      2.903417      7.884542
  C      -3.092695      2.071357      8.455069
  N      -1.847661      2.406453      7.724811
  C      -0.830945      1.325953      7.759122
  C      -1.083723      0.337454      6.638342
  C      -1.281760      3.693202      8.189062
  C      -0.581428      4.384723      7.038197
  N      -1.531455      4.537747      5.909422
  H      -0.245239     -0.381601      6.595110
  H      -1.995910     -0.258376      6.851010
  H       0.153820      1.787433      7.603548
  H      -0.821378      0.829309      8.744270
  H      -0.186528      5.365543      7.349129
  H       0.257222      3.777943      6.668926
  H      -2.104432      4.325157      8.551607
  H      -0.593142      3.539010      9.036727
  H      -5.180294      2.561681      8.328732
  H      -4.122302      3.967999      8.170696
  H      -3.321103      1.013393      8.276797
  H      -2.967179      2.232521      9.541346
  C      -3.093637     -6.290468      2.552350
  C      -2.495620     -5.030644      3.125174
  O      -1.462927     -5.050358      3.785872
  C      -3.204576     -3.729727      2.878808
  C      -4.341895     -3.623284      2.063986
  C      -4.975226     -2.395059      1.882960
  C      -4.487551     -1.282284      2.550765
  F      -5.109319     -0.101421      2.358594
  C      -3.345913     -1.341264      3.377755
  C      -2.854597     -0.167185      4.106110
  O      -3.645466      0.664320      4.594055
  C      -1.374281      0.139335      4.260898
  C      -2.707897     -2.582936      3.503969
  C      -7.120758      8.614527      0.832031
  C      -5.944964      7.771285      1.257694
  O      -5.296497      7.116841      0.448829
  C      -5.574007      7.742288      2.713840
  C      -6.390564      8.287135      3.719803
  C      -6.027802      8.190758      5.061115
  C      -4.841774      7.546947      5.387516
  F      -4.502040      7.471447      6.696794
  C      -3.981255      7.009278      4.416278
  C      -2.710669      6.298742      4.705415
  O      -1.840854      6.182170      3.849079
  C      -2.500601      5.645817      6.069327
  C      -4.374313      7.126957      3.076482
  C      -8.239791     -4.284622      3.390317
  C      -7.316753     -3.457024      4.252349
  O      -6.373111     -3.969908      4.846137
  C      -7.565857     -1.982233      4.352737
  C      -8.555617     -1.326752      3.599588
  C      -8.711212      0.053746      3.685517
  C      -7.863068      0.773805      4.519153
  F      -8.035965      2.117602      4.578793
  C      -6.872086      0.164622      5.301161
  C      -5.894624      0.877289      6.189561
  O      -5.356330      0.267632      7.103556
  C      -5.543297      2.340368      5.884173
  C      -6.754785     -1.226317      5.203712
  H      -2.471523     -7.146269      2.833337
  H      -4.117657     -6.437048      2.929459
  H      -3.157814     -6.228132      1.454985
  H      -4.743095     -4.502623      1.560264
  H      -5.850751     -2.289788      1.242121
  H      -1.076939      0.616089      3.305797
  H      -0.768419     -0.778036      4.358221
  H      -1.828374     -2.692089      4.139583
  H      -6.990981      9.659858      1.150888
  H      -8.048901      8.248453      1.298088
  H      -7.222240      8.568906     -0.257110
  H      -7.325517      8.785960      3.463727
  H      -6.647269      8.608232      5.854890
  H      -2.107222      6.420668      6.752781
  H      -3.446752      5.282570      6.485369
  H      -3.732044      6.708058      2.300907
  H      -9.284632     -4.182972      3.720635
  H      -7.938268     -5.335786      3.444921
  H      -8.199935     -3.946297      2.343020
  H      -9.211917     -1.889837      2.935763
  H      -9.476476      0.581367      3.116041
  H      -6.367161      2.966982      6.279370
  H      -5.560805      2.478456      4.794288
  H      -5.988226     -1.728141      5.795332
  N      -2.581119      3.101897      3.645532
  N      -2.922419      3.592269      2.480583
  H      -0.999431      4.786978      5.058945
  H      -3.898020      3.532184      2.184688
  H      -2.216080      3.641794      1.748184
91
Coordinates from ORCA-job orca E -6562.702190637286
  N      -1.153444      1.086092      5.399936
  Mo     -2.500870      2.645711      5.392256
  N      -4.201973      2.839662      6.435981
  C      -4.190204      2.965518      7.902019
  C      -3.071411      2.105761      8.477774
  N      -1.810892      2.422400      7.766281
  C      -0.817124      1.320970      7.801395
  C      -1.077451      0.347403      6.669078
  C      -1.224116      3.693846      8.247432
  C      -0.498456      4.384129      7.110657
  N      -1.431168      4.563951      5.971192
  H      -0.253146     -0.387921      6.628308
  H      -2.003635     -0.231959      6.866608
  H       0.178519      1.763297      7.659963
  H      -0.827814      0.815619      8.782114
  H      -0.091000      5.355223      7.435775
  H       0.334221      3.767060      6.745158
  H      -2.037703      4.337660      8.608968
  H      -0.546737      3.519010      9.100184
  H      -5.147769      2.637552      8.331201
  H      -4.061401      4.024586      8.201400
  H      -3.318638      1.054219      8.285920
  H      -2.956536      2.253256      9.567153
  C      -3.194862     -6.199896      2.496277
  C      -2.573927     -4.959586      3.087280
  O      -1.552093     -5.010189      3.762998
  C      -3.249214     -3.639918      2.845282
  C      -4.371689     -3.497904      2.015215
  C      -4.973400     -2.253147      1.838902
  C      -4.469601     -1.159390      2.525897
  F      -5.061583      0.037750      2.339496
  C      -3.341636     -1.254114      3.368035
  C      -2.831819     -0.099020      4.113490
  O      -3.609296      0.746034      4.600309
  C      -1.347251      0.174147      4.286878
  C      -2.734823     -2.511867      3.489935
  C      -7.294856      7.964027      0.841193
  C      -6.055624      7.237284      1.299092
  O      -5.380893      6.564754      0.526655
  C      -5.650433      7.352851      2.740759
  C      -6.486499      7.905457      3.725989
  C      -6.087747      7.940379      5.060574
  C      -4.846760      7.418354      5.399934
  F      -4.467586      7.471275      6.699433
  C      -3.967087      6.881879      4.446395
  C      -2.643411      6.286150      4.752564
  O      -1.772703      6.201330      3.893943
  C      -2.387360      5.683626      6.131986
  C      -4.395517      6.866942      3.113227
  C      -8.294749     -4.085736      3.289443
  C      -7.371825     -3.288346      4.179597
  O      -6.444670     -3.826408      4.776929
  C      -7.587491     -1.808984      4.287912
  C      -8.551333     -1.124631      3.526909
  C      -8.676376      0.258321      3.622495
  C      -7.823111      0.951852      4.473089
  F      -7.966062      2.298747      4.542074
  C      -6.856763      0.313652      5.262655
  C      -5.874756      0.996368      6.169332
  O      -5.362132      0.367702      7.085135
  C      -5.487349      2.453578      5.880925
  C      -6.770176     -1.078774      5.155135
  H      -2.597000     -7.072812      2.777309
  H      -4.226552     -6.324863      2.859863
  H      -3.244017     -6.127049      1.398845
  H      -4.785577     -4.361805      1.495471
  H      -5.836005     -2.119809      1.185829
  H      -1.029818      0.653024      3.339276
  H      -0.761737     -0.756425      4.382703
  H      -1.867035     -2.648455      4.136321
  H      -7.232369      9.036161      1.081301
  H      -8.186378      7.570878      1.354310
  H      -7.413773      7.831111     -0.239012
  H      -7.463914      8.308126      3.459041
  H      -6.721063      8.367754      5.837980
  H      -1.965194      6.480435      6.772470
  H      -3.317966      5.337855      6.593685
  H      -3.737012      6.444097      2.353952
  H      -9.342978     -3.968827      3.603438
  H      -8.014076     -5.143141      3.333811
  H      -8.230549     -3.733251      2.248014
  H      -9.211767     -1.666726      2.849802
  H      -9.421847      0.807913      3.047585
  H      -6.301094      3.095631      6.271984
  H      -5.488472      2.601360      4.792110
  H      -6.022570     -1.602758      5.751886
  N      -2.489257      3.161551      3.678956
  N      -2.832536      3.655913      2.517356
  H      -0.887608      4.811224      5.128506
  H      -3.811962      3.623298      2.229300
  H      -2.129562      3.707253      1.781902
91
Coordinates from ORCA-job orca E -6562.702353404037
  N      -1.122952      1.107934      5.425791
  Mo     -2.438901      2.693531      5.406259
  N      -4.147410      2.918677      6.431629
  C      -4.151922      3.034493      7.898693
  C      -3.056941      2.150568      8.484167
  N      -1.781108      2.446055      7.791768
  C      -0.809840      1.325207      7.832667
  C      -1.075671      0.362186      6.692592
  C      -1.175182      3.703528      8.285785
  C      -0.426695      4.389372      7.160446
  N      -1.343910      4.592045      6.011900
  H      -0.265415     -0.388813      6.657657
  H      -2.015070     -0.200312      6.876293
  H       0.195846      1.748457      7.704202
  H      -0.841028      0.815560      8.810745
  H      -0.007876      5.351727      7.496982
  H       0.400229      3.762090      6.799315
  H      -1.979896      4.359139      8.645673
  H      -0.508105      3.511492      9.142974
  H      -5.120897      2.721750      8.313223
  H      -4.007757      4.088982      8.207616
  H      -3.321722      1.105031      8.282738
  H      -2.954286      2.289290      9.575910
  C      -3.307655     -6.122223      2.478737
  C      -2.661756     -4.899964      3.080345
  O      -1.651637     -4.978966      3.770787
  C      -3.296635     -3.562182      2.828937
  C      -4.399974     -3.388712      1.979317
  C      -4.966057     -2.128270      1.796601
  C      -4.446949     -1.050172      2.496765
  F      -5.005459      0.162294      2.305829
  C      -3.336168     -1.176396      3.357275
  C      -2.809540     -0.037144      4.114318
  O      -3.573639      0.823272      4.596070
  C      -1.321843      0.203609      4.306668
  C      -2.763994     -2.449681      3.485558
  C      -7.432742      7.365399      0.900421
  C      -6.141007      6.751105      1.376456
  O      -5.442293      6.065004      0.637250
  C      -5.715295      6.992562      2.795585
  C      -6.572222      7.536414      3.767476
  C      -6.149764      7.683864      5.087471
  C      -4.864426      7.281685      5.424853
  F      -4.459846      7.441635      6.707708
  C      -3.965264      6.761334      4.481430
  C      -2.597807      6.277430      4.790165
  O      -1.729332      6.236662      3.926494
  C      -2.292140      5.718642      6.178451
  C      -4.416493      6.634126      3.162603
  C      -8.336428     -3.905814      3.196154
  C      -7.410528     -3.131319      4.103263
  O      -6.506817     -3.691655      4.715811
  C      -7.597564     -1.648298      4.215126
  C      -8.535989     -0.941039      3.443361
  C      -8.634021      0.443801      3.543110
  C      -7.779470      1.116233      4.409060
  F      -7.896286      2.465523      4.482600
  C      -6.837730      0.455023      5.209424
  C      -5.855425      1.113373      6.133685
  O      -5.368917      0.470174      7.053527
  C      -5.434155      2.563940      5.858359
  C      -6.777879     -0.938469      5.096887
  H      -2.738572     -7.011571      2.767914
  H      -4.347780     -6.218498      2.826796
  H      -3.338071     -6.047609      1.380746
  H      -4.826640     -4.240002      1.449259
  H      -5.812533     -1.970329      1.128069
  H      -0.983550      0.680253      3.365123
  H      -0.756417     -0.738949      4.405152
  H      -1.911612     -2.610712      4.146687
  H      -7.434583      8.452622      1.070445
  H      -8.287673      6.951509      1.457604
  H      -7.563180      7.154291     -0.165924
  H      -7.584149      7.843444      3.501878
  H      -6.798989      8.106971      5.854016
  H      -1.844595      6.534390      6.777391
  H      -3.203383      5.385863      6.684297
  H      -3.740982      6.220272      2.413789
  H      -9.386410     -3.767982      3.495535
  H      -8.078738     -4.969058      3.240304
  H      -8.249897     -3.550741      2.157272
  H      -9.197860     -1.466419      2.754586
  H      -9.360037      1.010738      2.960211
  H      -6.238533      3.221344      6.243116
  H      -5.418564      2.717691      4.770471
  H      -6.049174     -1.479876      5.701491
  N      -2.401318      3.211941      3.693067
  N      -2.741104      3.707333      2.531819
  H      -0.788424      4.842766      5.180171
  H      -3.722760      3.701332      2.249213
  H      -2.039718      3.753452      1.794649
91
Coordinates from ORCA-job orca E -6562.702354255312
  N      -1.098146      1.134352      5.446239
  Mo     -2.383345      2.744229      5.414253
  N      -4.098184      3.000233      6.421806
  C      -4.118665      3.107874      7.889529
  C      -3.046973      2.201809      8.484783
  N      -1.757040      2.476203      7.810701
  C      -0.807652      1.337293      7.857805
  C      -1.078377      0.383469      6.711139
  C      -1.133282      3.720336      8.316181
  C      -0.363169      4.400780      7.201475
  N      -1.264984      4.623959      6.044204
  H      -0.281848     -0.382255      6.682258
  H      -2.029918     -0.162544      6.881967
  H       0.207125      1.742026      7.741372
  H      -0.858423      0.824767      8.833580
  H       0.065968      5.354934      7.548275
  H       0.458297      3.763721      6.845048
  H      -1.929392      4.387210      8.674210
  H      -0.476318      3.512742      9.177569
  H      -5.098129      2.810183      8.290092
  H      -3.960208      4.157931      8.206962
  H      -3.328203      1.162191      8.274803
  H      -2.956369      2.333233      9.578486
  C      -3.420006     -6.041551      2.463401
  C      -2.750440     -4.836856      3.074330
  O      -1.752597     -4.942407      3.778922
  C      -3.345339     -3.482803      2.812784
  C      -4.428900     -3.280267      1.944252
  C      -4.959906     -2.005695      1.754413
  C      -4.426665     -0.942360      2.466371
  F      -4.952303      0.283946      2.270201
  C      -3.333667     -1.097740      3.344564
  C      -2.791393      0.026581      4.111803
  O      -3.542245      0.901909      4.588090
  C      -1.301607      0.236371      4.322094
  C      -2.795591     -2.385098      3.479998
  C      -7.533951      6.752814      0.989227
  C      -6.196753      6.257326      1.477036
  O      -5.469537      5.563007      0.773062
  C      -5.762740      6.624106      2.865592
  C      -6.641084      7.155046      3.825224
  C      -6.205089      7.415466      5.123665
  C      -4.884800      7.137658      5.451179
  F      -4.464477      7.405335      6.710695
  C      -3.966474      6.637222      4.516310
  C      -2.562787      6.269929      4.820960
  O      -1.701725      6.275485      3.949375
  C      -2.206232      5.756728      6.215292
  C      -4.430630      6.397442      3.218561
  C      -8.375588     -3.728725      3.106198
  C      -7.447494     -2.975342      4.028705
  O      -6.567242     -3.555979      4.656284
  C      -7.607188     -1.489277      4.142939
  C      -8.520610     -0.761308      3.360489
  C      -8.592855      0.624898      3.463256
  C      -7.737859      1.277926      4.343345
  F      -7.829776      2.629064      4.420341
  C      -6.820335      0.595924      5.154388
  C      -5.838631      1.231786      6.094953
  O      -5.377557      0.576024      7.018908
  C      -5.385321      2.675102      5.831375
  C      -6.785949     -0.798173      5.038006
  H      -2.879455     -6.945799      2.761024
  H      -4.467322     -6.109311      2.796409
  H      -3.432220     -5.966926      1.365058
  H      -4.867432     -4.119619      1.404979
  H      -5.789756     -1.825051      1.070929
  H      -0.943450      0.709667      3.386167
  H      -0.755596     -0.717157      4.423716
  H      -1.959096     -2.568712      4.155418
  H      -7.604385      7.846332      1.090032
  H      -8.350503      6.321767      1.589313
  H      -7.668210      6.464084     -0.058295
  H      -7.679915      7.362858      3.567317
  H      -6.870925      7.831037      5.880021
  H      -1.735826      6.591100      6.770394
  H      -3.095999      5.437566      6.764542
  H      -3.737976      5.995959      2.479134
  H      -9.426626     -3.570348      3.391451
  H      -8.140124     -4.797081      3.150976
  H      -8.267610     -3.372758      2.069682
  H      -9.183286     -1.271282      2.660998
  H      -9.299776      1.207507      2.872402
  H      -6.180427      3.347311      6.209641
  H      -5.353512      2.833332      4.744470
  H      -6.075797     -1.355313      5.650419
  N      -2.320922      3.263298      3.700905
  N      -2.658052      3.758805      2.539901
  H      -0.698238      4.877230      5.223800
  H      -3.641322      3.778773      2.263212
  H      -1.958567      3.799798      1.800770
91
Coordinates from ORCA-job orca E -6562.702463638020
  N      -1.088399      1.124691      5.443440
  Mo     -2.369685      2.736606      5.396621
  N      -4.089270      2.999803      6.396650
  C      -4.115520      3.113253      7.863941
  C      -3.047940      2.208566      8.468558
  N      -1.754803      2.477733      7.799327
  C      -0.806814      1.338076      7.855150
  C      -1.075212      0.379408      6.712251
  C      -1.130386      3.722433      8.302112
  C      -0.361597      4.401033      7.185013
  N      -1.265724      4.622352      6.028581
  H      -0.280708     -0.388590      6.689797
  H      -2.028633     -0.163698      6.881857
  H       0.208572      1.741433      7.738876
  H      -0.860351      0.830794      8.833501
  H       0.066808      5.355987      7.530566
  H       0.460485      3.764302      6.829319
  H      -1.925765      4.389945      8.660787
  H      -0.471814      3.516359      9.162578
  H      -5.096998      2.817956      8.261163
  H      -3.957825      4.164427      8.178957
  H      -3.329583      1.168478      8.261999
  H      -2.961703      2.344565      9.562037
  C      -3.468189     -6.063763      2.535289
  C      -2.787407     -4.861082      3.137014
  O      -1.794746     -4.970670      3.848351
  C      -3.356771     -3.502682      2.844973
  C      -4.425629     -3.298732      1.958814
  C      -4.938560     -2.020614      1.745198
  C      -4.403492     -0.955056      2.452238
  F      -4.912828      0.274579      2.235259
  C      -3.322737     -1.111629      3.345065
  C      -2.779420      0.014647      4.106856
  O      -3.528222      0.896148      4.574715
  C      -1.289942      0.220379      4.323345
  C      -2.801144     -2.402998      3.503770
  C      -7.562878      6.852918      1.017534
  C      -6.225928      6.341460      1.488324
  O      -5.508162      5.651847      0.769971
  C      -5.789175      6.668750      2.885505
  C      -6.665330      7.172651      3.861528
  C      -6.225638      7.398871      5.165252
  C      -4.903803      7.114728      5.480779
  F      -4.479020      7.350277      6.745069
  C      -3.988094      6.640559      4.529765
  C      -2.582360      6.269566      4.820077
  O      -1.725825      6.290426      3.944109
  C      -2.213161      5.750125      6.209258
  C      -4.455746      6.434662      3.227769
  C      -8.353902     -3.749013      3.096937
  C      -7.420359     -2.990389      4.009631
  O      -6.553459     -3.571103      4.655581
  C      -7.583224     -1.504132      4.119705
  C      -8.495484     -0.780070      3.332139
  C      -8.569281      0.606457      3.428916
  C      -7.718535      1.263923      4.309670
  F      -7.812928      2.615313      4.382113
  C      -6.802347      0.586122      5.125947
  C      -5.825429      1.226736      6.068678
  O      -5.366765      0.574311      6.996083
  C      -5.374657      2.671198      5.803589
  C      -6.765397     -0.808522      5.014545
  H      -2.945416     -6.971924      2.852136
  H      -4.520309     -6.109840      2.857172
  H      -3.466388     -6.004974      1.435839
  H      -4.867352     -4.139970      1.425078
  H      -5.756323     -1.838876      1.047596
  H      -0.926595      0.688271      3.386642
  H      -0.746277     -0.733663      4.432066
  H      -1.976559     -2.587957      4.193369
  H      -7.624862      7.944661      1.141734
  H      -8.379480      6.415196      1.612645
  H      -7.703996      6.586640     -0.034999
  H      -7.705109      7.386003      3.611798
  H      -6.889710      7.792835      5.934621
  H      -1.742417      6.584678      6.764013
  H      -3.097750      5.424958      6.763202
  H      -3.764608      6.056013      2.475309
  H      -9.403589     -3.581021      3.381967
  H      -8.124763     -4.818172      3.153632
  H      -8.245639     -3.405560      2.056364
  H      -9.156038     -1.293388      2.633157
  H      -9.275671      1.185868      2.834282
  H      -6.172360      3.342310      6.178320
  H      -5.340889      2.826773      4.716412
  H      -6.055776     -1.362104      5.630778
  N      -2.302848      3.254314      3.683798
  N      -2.621996      3.758373      2.521055
  H      -0.700715      4.888057      5.210622
  H      -3.603006      3.791606      2.237216
  H      -1.917619      3.784042      1.785841
91
Coordinates from ORCA-job orca E -6562.702495036303
  N      -1.086860      1.130475      5.436770
  Mo     -2.369716      2.741222      5.398779
  N      -4.087908      2.999287      6.402815
  C      -4.111884      3.105732      7.870616
  C      -3.041082      2.200947      8.469137
  N      -1.750017      2.475818      7.798307
  C      -0.798765      1.338384      7.848481
  C      -1.067673      0.381960      6.703771
  C      -1.128426      3.720560      8.304818
  C      -0.362428      4.405140      7.189808
  N      -1.267349      4.627693      6.033755
  H      -0.271348     -0.383954      6.676928
  H      -2.019268     -0.164021      6.874549
  H       0.215130      1.744963      7.730320
  H      -0.848266      0.828589      8.825732
  H       0.063305      5.360174      7.538419
  H       0.461526      3.772072      6.831912
  H      -1.925129      4.384507      8.667233
  H      -0.468101      3.512992      9.163561
  H      -5.091766      2.805617      8.268210
  H      -3.956695      4.155825      8.190324
  H      -3.320710      1.161108      8.258621
  H      -2.952614      2.332364      9.562982
  C      -3.487764     -6.056431      2.545295
  C      -2.796805     -4.853423      3.134752
  O      -1.801593     -4.963612      3.842394
  C      -3.364386     -3.494331      2.842147
  C      -4.435603     -3.289641      1.958945
  C      -4.947625     -2.011035      1.746000
  C      -4.409399     -0.945743      2.451074
  F      -4.919462      0.284202      2.236905
  C      -3.326170     -1.103132      3.340592
  C      -2.780617      0.022470      4.101873
  O      -3.528562      0.903027      4.572916
  C      -1.290712      0.228172      4.315227
  C      -2.805166     -2.394853      3.498291
  C      -7.544665      6.844213      0.998239
  C      -6.207393      6.339215      1.474754
  O      -5.473891      5.670626      0.752331
  C      -5.782632      6.659009      2.877479
  C      -6.671016      7.139898      3.854131
  C      -6.241117      7.359286      5.162336
  C      -4.916981      7.090856      5.481695
  F      -4.502531      7.318359      6.750899
  C      -3.990203      6.637516      4.531041
  C      -2.582344      6.276781      4.826115
  O      -1.721965      6.309297      3.954322
  C      -2.213748      5.756583      6.214943
  C      -4.447909      6.439845      3.224329
  C      -8.355360     -3.751010      3.102885
  C      -7.423278     -2.993235      4.017855
  O      -6.560476     -3.575169      4.668169
  C      -7.581848     -1.506255      4.123974
  C      -8.490389     -0.781403      3.332832
  C      -8.560616      0.605497      3.426507
  C      -7.710270      1.262529      4.307935
  F      -7.801235      2.614355      4.377118
  C      -6.797738      0.584030      5.127757
  C      -5.821609      1.223928      6.071887
  O      -5.362483      0.570232      6.998151
  C      -5.373609      2.670021      5.810670
  C      -6.764123     -0.810923      5.019064
  H      -2.967312     -6.965296      2.863944
  H      -4.537631     -6.094810      2.875460
  H      -3.493859     -6.004616      1.445554
  H      -4.879870     -4.130693      1.427052
  H      -5.767207     -1.828536      1.050752
  H      -0.930467      0.698775      3.378599
  H      -0.746011     -0.725638      4.420284
  H      -1.978363     -2.580131      4.185241
  H      -7.618576      7.933346      1.137674
  H      -8.362347      6.389994      1.579274
  H      -7.673332      6.591890     -0.059319
  H      -7.712732      7.339138      3.600917
  H      -6.914725      7.735423      5.932350
  H      -1.741681      6.589913      6.770070
  H      -3.098636      5.432253      6.768402
  H      -3.746743      6.082479      2.470685
  H      -9.405743     -3.579287      3.383057
  H      -8.129658     -4.820726      3.162738
  H      -8.241648     -3.410028      2.062067
  H      -9.150714     -1.294257      2.633298
  H      -9.263965      1.185556      2.828901
  H      -6.172406      3.337927      6.188735
  H      -5.341679      2.828734      4.724030
  H      -6.057263     -1.365045      5.637994
  N      -2.308372      3.266119      3.687746
  N      -2.631116      3.778065      2.529683
  H      -0.697908      4.894474      5.217133
  H      -3.613293      3.819232      2.250985
  H      -1.930308      3.803797      1.791124
91
Coordinates from ORCA-job orca E -6562.702513089210
  N      -1.078114      1.138039      5.431710
  Mo     -2.356725      2.751964      5.397160
  N      -4.076515      3.011520      6.399064
  C      -4.103375      3.111761      7.867148
  C      -3.035257      2.202762      8.463750
  N      -1.742726      2.478616      7.796179
  C      -0.792062      1.340333      7.844563
  C      -1.060129      0.386655      6.697333
  C      -1.121485      3.721394      8.308402
  C      -0.353347      4.410661      7.198018
  N      -1.255454      4.637935      6.040130
  H      -0.264404     -0.379787      6.669391
  H      -2.012386     -0.158965      6.865684
  H       0.221999      1.746984      7.727971
  H      -0.842593      0.828572      8.820728
  H       0.070979      5.364432      7.551711
  H       0.471834      3.779552      6.839477
  H      -1.918454      4.383745      8.673075
  H      -0.462051      3.509966      9.166912
  H      -5.084311      2.810788      8.261573
  H      -3.947751      4.160245      8.191611
  H      -3.316080      1.164178      8.248228
  H      -2.948278      2.329271      9.558278
  C      -3.519818     -6.043105      2.566002
  C      -2.817063     -4.841111      3.143754
  O      -1.818642     -4.953537      3.846456
  C      -3.375735     -3.479665      2.844127
  C      -4.444998     -3.272062      1.959156
  C      -4.949199     -1.991251      1.740628
  C      -4.405427     -0.926423      2.442236
  F      -4.908939      0.305687      2.224339
  C      -3.324285     -1.086934      3.333492
  C      -2.774572      0.037470      4.093899
  O      -3.519684      0.921205      4.563888
  C      -1.284134      0.237584      4.308678
  C      -2.810256     -2.380863      3.496139
  C      -7.545255      6.754268      1.000240
  C      -6.197391      6.279766      1.477962
  O      -5.448656      5.626940      0.756624
  C      -5.784557      6.601386      2.884009
  C      -6.688261      7.049248      3.862329
  C      -6.267191      7.271819      5.172881
  C      -4.936843      7.038023      5.493241
  F      -4.532004      7.269788      6.764780
  C      -3.996136      6.614681      4.541985
  C      -2.581020      6.281978      4.838755
  O      -1.720395      6.333351      3.968192
  C      -2.202079      5.766047      6.226185
  C      -4.444966      6.416401      3.232250
  C      -8.368324     -3.722880      3.091943
  C      -7.438850     -2.969851      4.013525
  O      -6.578262     -3.555171      4.663681
  C      -7.588188     -1.481772      4.116214
  C      -8.491442     -0.752965      3.322708
  C      -8.554085      0.634377      3.414562
  C      -7.701098      1.287941      4.295994
  F      -7.785731      2.640328      4.363350
  C      -6.793053      0.605542      5.117757
  C      -5.814161      1.240714      6.062448
  O      -5.357096      0.583994      6.987599
  C      -5.361633      2.685792      5.803847
  C      -6.767584     -0.789731      5.011097
  H      -3.004457     -6.953683      2.888024
  H      -4.567906     -6.070781      2.902664
  H      -3.531887     -5.999111      1.466011
  H      -4.893652     -4.112543      1.430074
  H      -5.766897     -1.806305      1.043810
  H      -0.922332      0.708893      3.372901
  H      -0.742427     -0.717965      4.412496
  H      -1.984585     -2.567964      4.184030
  H      -7.645827      7.840412      1.145647
  H      -8.353142      6.277247      1.576749
  H      -7.665361      6.504707     -0.058976
  H      -7.734824      7.218950      3.607666
  H      -6.952531      7.623939      5.943917
  H      -1.725881      6.600463      6.775798
  H      -3.081920      5.441439      6.786530
  H      -3.731463      6.089156      2.476456
  H      -9.419668     -3.548069      3.366467
  H      -8.146592     -4.793456      3.151215
  H      -8.247594     -3.380462      2.052340
  H      -9.153854     -1.262854      2.622954
  H      -9.253489      1.217487      2.815288
  H      -6.160107      3.354293      6.181488
  H      -5.327081      2.845382      4.717573
  H      -6.064511     -1.346887      5.631658
  N      -2.295110      3.284801      3.688221
  N      -2.615972      3.808459      2.535244
  H      -0.684093      4.907465      5.228017
  H      -3.598212      3.869272      2.260803
  H      -1.917822      3.825343      1.793992
91
Coordinates from ORCA-job orca E -6562.702530880736
  N      -1.062190      1.144615      5.430705
  Mo     -2.332400      2.764933      5.390039
  N      -4.056563      3.035866      6.383056
  C      -4.090941      3.133920      7.851387
  C      -3.030984      2.218602      8.453031
  N      -1.733581      2.487743      7.792173
  C      -0.788228      1.344950      7.845538
  C      -1.054352      0.392828      6.696791
  C      -1.108541      3.727333      8.308008
  C      -0.333108      4.415493      7.201951
  N      -1.230605      4.648918      6.041412
  H      -0.262342     -0.377519      6.672775
  H      -2.010252     -0.148049      6.859634
  H       0.228064      1.747422      7.733903
  H      -0.845997      0.833705      8.821520
  H       0.092620      5.367088      7.559816
  H       0.491517      3.782641      6.845236
  H      -1.903993      4.392540      8.670678
  H      -0.453201      3.511819      9.168646
  H      -5.075423      2.836939      8.239943
  H      -3.932230      4.181165      8.178232
  H      -3.316471      1.181728      8.235188
  H      -2.948579      2.343690      9.548067
  C      -3.558610     -6.032332      2.611162
  C      -2.840127     -4.832236      3.173281
  O      -1.845054     -4.948318      3.880107
  C      -3.382998     -3.467886      2.858045
  C      -4.444277     -3.257408      1.964195
  C      -4.935400     -1.973809      1.732530
  C      -4.387310     -0.908826      2.430555
  F      -4.878816      0.326145      2.201420
  C      -3.313229     -1.072269      3.329490
  C      -2.759733      0.051750      4.087431
  O      -3.501343      0.941989      4.551259
  C      -1.268988      0.243614      4.307650
  C      -2.811512     -2.369330      3.505241
  C      -7.585980      6.597753      1.047626
  C      -6.225392      6.156461      1.520552
  O      -5.465595      5.516144      0.799420
  C      -5.810675      6.498458      2.921091
  C      -6.719302      6.923231      3.905021
  C      -6.293911      7.165349      5.210728
  C      -4.954529      6.973070      5.520653
  F      -4.546076      7.228028      6.786504
  C      -4.009710      6.572031      4.563484
  C      -2.583877      6.276612      4.849464
  O      -1.733643      6.340666      3.969554
  C      -2.177833      5.775880      6.234746
  C      -4.463080      6.356142      3.258196
  C      -8.393196     -3.660746      3.050149
  C      -7.460765     -2.916653      3.976038
  O      -6.617575     -3.511664      4.640019
  C      -7.595611     -1.427115      4.077245
  C      -8.486674     -0.689613      3.278018
  C      -8.536264      0.698251      3.369399
  C      -7.682793      1.343635      4.256319
  F      -7.755848      2.696851      4.323308
  C      -6.785691      0.652607      5.083148
  C      -5.805928      1.277839      6.033881
  O      -5.357807      0.615026      6.959047
  C      -5.340911      2.719993      5.780756
  C      -6.773410     -0.742907      4.976608
  H      -3.055798     -6.945452      2.945588
  H      -4.606909     -6.040523      2.948357
  H      -3.570164     -6.003276      1.510701
  H      -4.896861     -4.097886      1.438462
  H      -5.746322     -1.786436      1.028473
  H      -0.901782      0.712919      3.372925
  H      -0.732464     -0.714427      4.414085
  H      -1.991888     -2.558297      4.199805
  H      -7.710680      7.681656      1.191442
  H      -8.379939      6.103705      1.629192
  H      -7.705535      6.342703     -0.010314
  H      -7.772633      7.058600      3.657701
  H      -6.982790      7.501268      5.985830
  H      -1.693178      6.616906      6.766818
  H      -3.045170      5.452811      6.814318
  H      -3.745982      6.049592      2.497235
  H      -9.444292     -3.470119      3.314960
  H      -8.186929     -4.734038      3.115779
  H      -8.258990     -3.324515      2.010188
  H      -9.149974     -1.192879      2.574318
  H      -9.226510      1.288032      2.766047
  H      -6.136876      3.392918      6.155963
  H      -5.299553      2.881161      4.694985
  H      -6.079218     -1.306568      5.601303
  N      -2.262185      3.301182      3.681775
  N      -2.574878      3.833711      2.531154
  H      -0.657774      4.922847      5.229280
  H      -3.555441      3.912622      2.255242
  H      -1.874937      3.842255      1.791434
91
Coordinates from ORCA-job orca E -6562.702548953088
  N      -1.061809      1.137264      5.427689
  Mo     -2.337452      2.753434      5.385481
  N      -4.061594      3.020914      6.379439
  C      -4.095359      3.120811      7.847788
  C      -3.031392      2.210266      8.449761
  N      -1.735648      2.482572      7.786538
  C      -0.786501      1.343102      7.841639
  C      -1.050516      0.387965      6.695165
  C      -1.113161      3.724781      8.299315
  C      -0.339662      4.411937      7.191222
  N      -1.239915      4.642043      6.032343
  H      -0.255988     -0.379816      6.672136
  H      -2.004588     -0.155527      6.859942
  H       0.228340      1.748729      7.728457
  H      -0.841960      0.833702      8.818704
  H       0.085112      5.364847      7.546794
  H       0.485294      3.779736      6.834184
  H      -1.910041      4.389339      8.659872
  H      -0.457555      3.512650      9.160596
  H      -5.078499      2.821022      8.237557
  H      -3.940088      4.169056      8.172960
  H      -3.313802      1.172138      8.234039
  H      -2.947839      2.337465      9.544478
  C      -3.537783     -6.055821      2.632449
  C      -2.823052     -4.852133      3.191457
  O      -1.826623     -4.962991      3.897218
  C      -3.370657     -3.490622      2.872598
  C      -4.433514     -3.286634      1.979212
  C      -4.928618     -2.005407      1.743292
  C      -4.383432     -0.936352      2.437255
  F      -4.877822      0.296381      2.202768
  C      -3.307850     -1.093168      3.335630
  C      -2.757159      0.035200      4.089233
  O      -3.501526      0.924004      4.550893
  C      -1.266881      0.233223      4.306895
  C      -2.801970     -2.388066      3.515411
  C      -7.595952      6.696938      1.055719
  C      -6.241415      6.232182      1.523446
  O      -5.491855      5.586159      0.796863
  C      -5.817856      6.562228      2.924128
  C      -6.715920      7.004821      3.909827
  C      -6.283592      7.235009      5.215343
  C      -4.947989      7.014336      5.522991
  F      -4.532973      7.260359      6.788494
  C      -4.012852      6.596272      4.563709
  C      -2.591913      6.275844      4.844857
  O      -1.743539      6.328124      3.962167
  C      -2.189365      5.766833      6.227816
  C      -4.473364      6.390555      3.259262
  C      -8.389429     -3.681242      3.046829
  C      -7.459142     -2.935958      3.973858
  O      -6.619423     -3.530531      4.642704
  C      -7.594342     -1.446219      4.072780
  C      -8.483236     -0.709871      3.270058
  C      -8.533121      0.678150      3.359482
  C      -7.682241      1.324795      4.248038
  F      -7.755131      2.678161      4.312358
  C      -6.787296      0.635048      5.078179
  C      -5.809032      1.261428      6.029773
  O      -5.361054      0.599000      6.955300
  C      -5.345490      2.704081      5.777165
  C      -6.774520     -0.760637      4.973325
  H      -3.031562     -6.966496      2.968387
  H      -4.585842     -6.066675      2.970592
  H      -3.550449     -6.029075      1.531935
  H      -4.884175     -4.130449      1.457166
  H      -5.740476     -1.822965      1.039014
  H      -0.902623      0.701642      3.370642
  H      -0.726745     -0.722598      4.414900
  H      -1.981276     -2.572061      4.209927
  H      -7.704522      7.781734      1.205884
  H      -8.396006      6.211182      1.635963
  H      -7.721158      6.449708     -0.003419
  H      -7.766302      7.163910      3.663946
  H      -6.963921      7.584122      5.992141
  H      -1.707994      6.605847      6.766230
  H      -3.058087      5.439412      6.803534
  H      -3.764482      6.068136      2.497133
  H      -9.441262     -3.488110      3.306758
  H      -8.185184     -4.754666      3.116500
  H      -8.250380     -3.348432      2.006393
  H      -9.144463     -1.214170      2.565160
  H      -9.221612      1.267124      2.753349
  H      -6.142052      3.376585      6.152232
  H      -5.303969      2.865818      4.691274
  H      -6.082024     -1.323415      5.600674
  N      -2.271034      3.286632      3.675923
  N      -2.586797      3.817308      2.525148
  H      -0.669785      4.918284      5.218028
  H      -3.568000      3.887615      2.248751
  H      -1.887164      3.827404      1.785066
91
Coordinates from ORCA-job orca E -6562.702560859380
  N      -1.049336      1.139040      5.430564
  Mo     -2.318848      2.759558      5.377497
  N      -4.046067      3.035199      6.364181
  C      -4.087375      3.135162      7.832350
  C      -3.027263      2.223759      8.440272
  N      -1.727905      2.492286      7.782473
  C      -0.781911      1.350870      7.844422
  C      -1.044568      0.393224      6.700154
  C      -1.102494      3.733429      8.294789
  C      -0.324033      4.417167      7.187165
  N      -1.223036      4.649593      6.027760
  H      -0.252157     -0.376845      6.682314
  H      -2.000834     -0.147049      6.862968
  H       0.234223      1.753676      7.732940
  H      -0.841479      0.844699      8.822936
  H       0.102987      5.369036      7.543054
  H       0.499472      3.782492      6.831320
  H      -1.898043      4.401197      8.651971
  H      -0.450001      3.520744      9.158272
  H      -5.072964      2.836900      8.216965
  H      -3.932712      4.183242      8.158759
  H      -3.310904      1.185980      8.224216
  H      -2.948324      2.351564      9.535242
  C      -3.570415     -6.053764      2.669104
  C      -2.848353     -4.854138      3.227009
  O      -1.855605     -4.970106      3.937142
  C      -3.378744     -3.489767      2.892610
  C      -4.432095     -3.282500      1.988824
  C      -4.912619     -1.998504      1.738858
  C      -4.363959     -0.929741      2.430301
  F      -4.844122      0.305867      2.182194
  C      -3.297061     -1.089845      3.338369
  C      -2.743234      0.038595      4.089030
  O      -3.485211      0.932609      4.543469
  C      -1.253364      0.231521      4.312109
  C      -2.804425     -2.387908      3.531510
  C      -7.643292      6.578253      1.114530
  C      -6.277442      6.138683      1.572468
  O      -5.529453      5.486684      0.849479
  C      -5.843530      6.494180      2.963097
  C      -6.736598      6.939320      3.952035
  C      -6.293319      7.190290      5.250232
  C      -4.951786      6.989522      5.546062
  F      -4.525316      7.254514      6.803920
  C      -4.021834      6.574442      4.581365
  C      -2.595231      6.274735      4.850433
  O      -1.755357      6.338785      3.960274
  C      -2.175452      5.771433      6.229777
  C      -4.493746      6.343968      3.285637
  C      -8.403362     -3.634585      3.004619
  C      -7.475438     -2.896917      3.940000
  O      -6.651328     -3.499177      4.621408
  C      -7.596509     -1.405488      4.033966
  C      -8.470051     -0.662426      3.220574
  C      -8.506910      0.726294      3.305981
  C      -7.658863      1.366870      4.201596
  F      -7.719074      2.721133      4.261673
  C      -6.779031      0.670662      5.042303
  C      -5.803162      1.289666      6.001422
  O      -5.366707      0.623802      6.929954
  C      -5.328400      2.729414      5.753575
  C      -6.778530     -0.725453      4.940500
  H      -3.076002     -6.967520      3.014140
  H      -4.621227     -6.051689      2.999184
  H      -3.574251     -6.033237      1.568369
  H      -4.886628     -4.125992      1.469679
  H      -5.715828     -1.813427      1.025402
  H      -0.883806      0.695270      3.375649
  H      -0.716959     -0.725759      4.425658
  H      -1.991620     -2.574487      4.234476
  H      -7.764779      7.663465      1.250996
  H      -8.429757      6.090013      1.711062
  H      -7.777712      6.313882      0.060663
  H      -7.791123      7.083654      3.714355
  H      -6.969542      7.540187      6.030230
  H      -1.693171      6.615520      6.760234
  H      -3.036020      5.441105      6.816458
  H      -3.789274      6.018266      2.521012
  H      -9.455857     -3.427741      3.250828
  H      -8.212996     -4.710105      3.080888
  H      -8.247549     -3.307650      1.964704
  H      -9.129293     -1.161916      2.510439
  H      -9.183519      1.320453      2.691596
  H      -6.122263      3.407734      6.124198
  H      -5.278795      2.892518      4.667996
  H      -6.097476     -1.293282      5.575793
  N      -2.247173      3.288861      3.666551
  N      -2.563130      3.823024      2.517222
  H      -0.653838      4.932547      5.218416
  H      -3.545044      3.896883      2.243085
  H      -1.865767      3.828832      1.774832
91
Coordinates from ORCA-job orca E -6562.702572236708
  N      -1.027088      1.140426      5.434058
  Mo     -2.290250      2.766044      5.362725
  N      -4.023903      3.055837      6.334084
  C      -4.081069      3.153461      7.801821
  C      -3.027311      2.241157      8.419656
  N      -1.721549      2.505235      7.772637
  C      -0.779146      1.361492      7.848400
  C      -1.035047      0.399727      6.706765
  C      -1.094693      3.745708      8.285976
  C      -0.303145      4.422546      7.182305
  N      -1.195089      4.658742      6.018168
  H      -0.245001     -0.372891      6.698912
  H      -1.994576     -0.136610      6.863628
  H       0.238844      1.761109      7.743069
  H      -0.848025      0.860488      8.828976
  H       0.127055      5.372415      7.540022
  H       0.518711      3.782792      6.832155
  H      -1.890266      4.419046      8.632211
  H      -0.452113      3.533129      9.156760
  H      -5.070618      2.854265      8.175238
  H      -3.930631      4.201017      8.132469
  H      -3.311571      1.203675      8.201652
  H      -2.957319      2.369076      9.515125
  C      -3.615371     -6.059184      2.749288
  C      -2.878058     -4.863085      3.294589
  O      -1.894255     -4.983610      4.016313
  C      -3.381260     -3.496136      2.930428
  C      -4.417360     -3.287241      2.007217
  C      -4.873786     -2.000230      1.729487
  C      -4.320686     -0.929464      2.414077
  F      -4.777886      0.309428      2.140157
  C      -3.271082     -1.091482      3.341488
  C      -2.715211      0.039509      4.086619
  O      -3.455978      0.940439      4.528493
  C      -1.226655      0.226821      4.319306
  C      -2.799802     -2.393200      3.561075
  C      -7.734578      6.414866      1.229993
  C      -6.346954      6.017036      1.657806
  O      -5.606353      5.359308      0.932155
  C      -5.888456      6.404868      3.031277
  C      -6.766076      6.857516      4.030579
  C      -6.297582      7.137887      5.314100
  C      -4.947051      6.960079      5.583417
  F      -4.495523      7.249325      6.827229
  C      -4.033266      6.542397      4.605781
  C      -2.598692      6.264941      4.848137
  O      -1.777741      6.335446      3.940729
  C      -2.147494      5.780702      6.222856
  C      -4.530624      6.278388      3.326705
  C      -8.426076     -3.561931      2.930716
  C      -7.504809     -2.835396      3.881300
  O      -6.705053     -3.448410      4.581932
  C      -7.603272     -1.341708      3.966546
  C      -8.454383     -0.589322      3.138012
  C      -8.472420      0.800100      3.218012
  C      -7.627985      1.431943      4.123185
  F      -7.672984      2.787146      4.179648
  C      -6.769078      0.726767      4.977991
  C      -5.796921      1.334599      5.948577
  O      -5.376198      0.662966      6.880166
  C      -5.302041      2.768415      5.707176
  C      -6.787328     -0.669739      4.880902
  H      -3.142911     -6.975598      3.117287
  H      -4.670009     -6.030264      3.065867
  H      -3.605013     -6.059191      1.648415
  H      -4.876691     -4.131902      1.494399
  H      -5.661261     -1.813703      0.999071
  H      -0.848555      0.683588      3.382822
  H      -0.695062     -0.732010      4.442586
  H      -2.000510     -2.580489      4.279213
  H      -7.880374      7.498353      1.354733
  H      -8.491964      5.915423      1.854368
  H      -7.890160      6.130790      0.184164
  H      -7.826959      6.984502      3.811466
  H      -6.960855      7.492321      6.103111
  H      -1.659990      6.635463      6.731998
  H      -2.993818      5.454269      6.832287
  H      -3.838408      5.947903      2.553315
  H      -9.479758     -3.333515      3.151083
  H      -8.257990     -4.640282      3.018496
  H      -8.240190     -3.245622      1.892401
  H      -9.111092     -1.081990      2.420830
  H      -9.132405      1.401503      2.592699
  H      -6.091648      3.456564      6.069018
  H      -5.236810      2.933353      4.622505
  H      -6.123083     -1.244726      5.527516
  N      -2.206430      3.287841      3.648851
  N      -2.523147      3.825545      2.501168
  H      -0.623480      4.946072      5.209615
  H      -3.505800      3.899911      2.228453
  H      -1.828397      3.822514      1.756101
91
Coordinates from ORCA-job orca E -6562.702669852520
  N      -0.987475      1.145028      5.435649
  Mo     -2.237986      2.780150      5.335052
  N      -3.981580      3.092556      6.281711
  C      -4.064717      3.187698      7.748083
  C      -3.023008      2.273182      8.382601
  N      -1.706982      2.528906      7.753800
  C      -0.770922      1.380909      7.851204
  C      -1.016387      0.412727      6.713424
  C      -1.078248      3.767820      8.269749
  C      -0.268167      4.435750      7.172306
  N      -1.149900      4.677963      6.001366
  H      -0.230859     -0.364420      6.721199
  H      -1.981061     -0.117210      6.860463
  H       0.250101      1.775077      7.755668
  H      -0.854630      0.888187      8.834847
  H       0.165741      5.382513      7.533970
  H       0.551979      3.789609      6.830391
  H      -1.873663      4.448894      8.601046
  H      -0.449989      3.554922      9.150613
  H      -5.060549      2.887213      8.103039
  H      -3.921056      4.234562      8.085146
  H      -3.308628      1.236289      8.161861
  H      -2.967893      2.401946      9.478681
  C      -3.720151     -6.054710      2.895510
  C      -2.947902     -4.867664      3.411384
  O      -1.982158     -4.997265      4.155595
  C      -3.398088     -3.497660      2.993840
  C      -4.404284     -3.285693      2.038693
  C      -4.815948     -1.994687      1.713589
  C      -4.250786     -0.921541      2.384344
  F      -4.666672      0.322182      2.068729
  C      -3.230117     -1.087370      3.342247
  C      -2.668895      0.046948      4.077770
  O      -3.405422      0.960204      4.499846
  C      -1.182226      0.221604      4.326941
  C      -2.799914     -2.394337      3.608208
  C      -7.872997      6.131989      1.420135
  C      -6.458233      5.794245      1.806476
  O      -5.719143      5.145293      1.071062
  C      -5.966473      6.235764      3.151763
  C      -6.823521      6.689309      4.168499
  C      -6.319107      7.022327      5.425981
  C      -4.954764      6.894441      5.651205
  F      -4.467350      7.232881      6.868948
  C      -4.063475      6.477979      4.653485
  C      -2.613987      6.248206      4.850843
  O      -1.826810      6.332777      3.915040
  C      -2.105574      5.796441      6.214850
  C      -4.596304      6.161921      3.401482
  C      -8.457187     -3.442528      2.807033
  C      -7.547366     -2.734212      3.782249
  O      -6.793371     -3.364196      4.517663
  C      -7.604888     -1.237496      3.851288
  C      -8.413740     -0.470072      2.994529
  C      -8.397660      0.919883      3.063754
  C      -7.562070      1.537008      3.986965
  F      -7.577817      2.893624      4.034941
  C      -6.742031      0.817241      4.867704
  C      -5.778378      1.407256      5.858386
  O      -5.390525      0.729612      6.799719
  C      -5.252186      2.831998      5.628762
  C      -6.794190     -0.579298      4.780127
  H      -3.292544     -6.973891      3.308715
  H      -4.779120     -5.971031      3.187154
  H      -3.686618     -6.098605      1.795970
  H      -4.875021     -4.131338      1.538191
  H      -5.577591     -1.806093      0.956801
  H      -0.789126      0.665828      3.390435
  H      -0.660889     -0.740811      4.465968
  H      -2.023791     -2.582809      4.351223
  H      -8.055670      7.210831      1.535267
  H      -8.588631      5.613538      2.077447
  H      -8.053268      5.825145      0.384726
  H      -7.894553      6.776072      3.981384
  H      -6.964862      7.378461      6.228682
  H      -1.610452      6.668342      6.687263
  H      -2.924052      5.474998      6.863128
  H      -3.920294      5.835837      2.612482
  H      -9.510165     -3.176052      2.983284
  H      -8.329207     -4.524586      2.914668
  H      -8.220974     -3.147224      1.772695
  H      -9.064312     -0.951365      2.264201
  H      -9.025743      1.533048      2.417352
  H      -6.035757      3.534530      5.976076
  H      -5.162190      2.999146      4.546236
  H      -6.161118     -1.165651      5.447535
  N      -2.134018      3.294190      3.618416
  N      -2.448263      3.846202      2.475995
  H      -0.576795      4.969384      5.199708
  H      -3.431354      3.925112      2.205481
  H      -1.758931      3.821373      1.726177
91
Coordinates from ORCA-job orca E -6562.702470467621
  N      -0.945268      1.148003      5.431556
  Mo     -2.190046      2.787332      5.305155
  N      -3.942721      3.115706      6.229278
  C      -4.051613      3.205727      7.693864
  C      -3.017650      2.292881      8.342341
  N      -1.693841      2.547136      7.730268
  C      -0.758791      1.399062      7.848033
  C      -0.990423      0.423744      6.714001
  C      -1.069085      3.787113      8.249624
  C      -0.242495      4.448665      7.158983
  N      -1.114759      4.694288      5.981359
  H      -0.205764     -0.353977      6.736068
  H      -1.957256     -0.104707      6.852047
  H       0.263300      1.792542      7.762180
  H      -0.854656      0.913783      8.834291
  H       0.192122      5.393541      7.524878
  H       0.577898      3.798675      6.825497
  H      -1.867354      4.473207      8.563913
  H      -0.456178      3.576598      9.141499
  H      -5.051585      2.897978      8.030212
  H      -3.920120      4.252064      8.038901
  H      -3.300143      1.255475      8.118084
  H      -2.976347      2.421724      9.438850
  C      -3.813391     -6.053514      3.059342
  C      -3.001478     -4.875774      3.533983
  O      -2.052539     -5.008678      4.298974
  C      -3.403572     -3.508219      3.063305
  C      -4.385119     -3.300254      2.081866
  C      -4.756948     -2.009952      1.709353
  C      -4.178730     -0.931807      2.360613
  F      -4.559209      0.312672      2.004934
  C      -3.182632     -1.094510      3.343856
  C      -2.618911      0.046606      4.066512
  O      -3.354053      0.968395      4.470331
  C      -1.134517      0.214624      4.328867
  C      -2.788849     -2.402172      3.656454
  C      -8.000676      5.935922      1.601565
  C      -6.567857      5.634083      1.946990
  O      -5.834039      5.000709      1.192671
  C      -6.043598      6.109859      3.268411
  C      -6.877150      6.564123      4.304497
  C      -6.338308      6.933813      5.537546
  C      -4.964521      6.840185      5.718952
  F      -4.443139      7.210808      6.913212
  C      -4.098261      6.423110      4.700416
  C      -2.638255      6.226848      4.851396
  O      -1.885846      6.314525      3.887468
  C      -2.077602      5.805747      6.202705
  C      -4.665250      6.071633      3.473572
  C      -8.490192     -3.340354      2.687984
  C      -7.592179     -2.649064      3.686372
  O      -6.885477     -3.293774      4.455158
  C      -7.606199     -1.150531      3.737772
  C      -8.373560     -0.370253      2.854671
  C      -8.323653      1.019305      2.913026
  C      -7.496393      1.623025      3.852314
  F      -7.485182      2.980452      3.893107
  C      -6.713413      0.890632      4.756566
  C      -5.758726      1.464222      5.766260
  O      -5.403029      0.782166      6.716947
  C      -5.204081      2.880508      5.549813
  C      -6.799415     -0.505105      4.678723
  H      -3.429975     -6.969374      3.520529
  H      -4.871990     -5.912580      3.329764
  H      -3.765755     -6.149544      1.963649
  H      -4.867566     -4.148901      1.598105
  H      -5.497505     -1.825109      0.931060
  H      -0.730714      0.647949      3.391601
  H      -0.619509     -0.749247      4.481894
  H      -2.031708     -2.585982      4.420240
  H      -8.206776      7.009598      1.724475
  H      -8.682788      5.398508      2.279017
  H      -8.203720      5.624523      0.571727
  H      -7.955056      6.623237      4.149143
  H      -6.964232      7.290978      6.355422
  H      -1.581153      6.694175      6.642589
  H      -2.868641      5.486343      6.884490
  H      -4.007794      5.750623      2.667394
  H      -9.538853     -3.033512      2.817640
  H      -8.405965     -4.424368      2.817013
  H      -8.202745     -3.071311      1.659357
  H      -9.018731     -0.841316      2.113033
  H      -8.920844      1.642617      2.247330
  H      -5.982455      3.595438      5.883537
  H      -5.089371      3.051166      4.470331
  H      -6.196958     -1.101096      5.365690
  N      -2.071706      3.294743      3.585597
  N      -2.388633      3.861754      2.449785
  H      -0.542384      4.985915      5.189123
  H      -3.373095      3.939426      2.183756
  H      -1.707551      3.814037      1.693433
91
Coordinates from ORCA-job orca E -6562.702184562288
  N      -0.934461      1.142506      5.425490
  Mo     -2.187198      2.778128      5.301572
  N      -3.938204      3.099052      6.229268
  C      -4.047413      3.188644      7.692456
  C      -3.006103      2.281871      8.337925
  N      -1.685098      2.543279      7.722935
  C      -0.742139      1.401141      7.840469
  C      -0.970052      0.421339      6.709364
  C      -1.068923      3.787213      8.242063
  C      -0.249657      4.455254      7.150045
  N      -1.126673      4.695672      5.974391
  H      -0.179853     -0.350756      6.730521
  H      -1.932424     -0.114103      6.851654
  H       0.277153      1.801158      7.751281
  H      -0.832590      0.918092      8.828335
  H       0.181810      5.401512      7.515633
  H       0.572934      3.809332      6.814012
  H      -1.871358      4.466291      8.559573
  H      -0.452459      3.581154      9.132526
  H      -5.043892      2.870400      8.029046
  H      -3.925830      4.235797      8.038124
  H      -3.282475      1.242516      8.114807
  H      -2.963217      2.411094      9.434329
  C      -3.798230     -6.079657      3.107885
  C      -2.984153     -4.895494      3.563663
  O      -2.034334     -5.019399      4.328988
  C      -3.391708     -3.531260      3.086432
  C      -4.378431     -3.329395      2.108975
  C      -4.753312     -2.041234      1.731023
  C      -4.170310     -0.958639      2.371092
  F      -4.555136      0.284242      2.013087
  C      -3.170230     -1.115827      3.350709
  C      -2.606664      0.030452      4.068920
  O      -3.344685      0.949801      4.473535
  C      -1.122428      0.204823      4.326807
  C      -2.774549     -2.420983      3.669670
  C      -8.023411      5.968462      1.616172
  C      -6.585223      5.679827      1.954797
  O      -5.844739      5.076955      1.182769
  C      -6.057504      6.150783      3.277821
  C      -6.885866      6.596700      4.322099
  C      -6.340547      6.962146      5.553200
  C      -4.966183      6.865400      5.728212
  F      -4.440681      7.224648      6.924722
  C      -4.104681      6.448775      4.704687
  C      -2.641686      6.242225      4.848323
  O      -1.892562      6.321364      3.882256
  C      -2.086103      5.807182      6.196538
  C      -4.678152      6.113204      3.476284
  C      -8.512358     -3.323720      2.645191
  C      -7.621295     -2.644333      3.657859
  O      -6.920262     -3.297545      4.424402
  C      -7.618221     -1.146283      3.712912
  C      -8.370275     -0.354879      2.826484
  C      -8.305882      1.033657      2.890577
  C      -7.480012      1.624148      3.839239
  F      -7.454369      2.981119      3.885494
  C      -6.710722      0.880465      4.745819
  C      -5.757647      1.443660      5.762013
  O      -5.412820      0.759213      6.715150
  C      -5.199062      2.858556      5.548733
  C      -6.811798     -0.513658      4.662752
  H      -3.415439     -6.988458      3.583303
  H      -4.856893     -5.935198      3.374834
  H      -3.749753     -6.193754      2.013792
  H      -4.863560     -4.181161      1.633170
  H      -5.500037     -1.861420      0.957391
  H      -0.721871      0.635671      3.386654
  H      -0.604371     -0.757138      4.481531
  H      -2.011577     -2.599075      4.428961
  H      -8.245043      7.037086      1.752588
  H      -8.695941      5.411882      2.287983
  H      -8.224340      5.668697      0.582465
  H      -7.964734      6.651951      4.175185
  H      -6.962484      7.314201      6.376378
  H      -1.594563      6.686171      6.657418
  H      -2.885077      5.480812      6.865729
  H      -4.025501      5.798602      2.663714
  H      -9.560285     -3.009147      2.762277
  H      -8.438559     -4.408933      2.770683
  H      -8.209230     -3.052769      1.621497
  H      -9.013251     -0.816621      2.077097
  H      -8.889264      1.666224      2.221274
  H      -5.978935      3.573428      5.878252
  H      -5.083348      3.026982      4.470078
  H      -6.220764     -1.119047      5.351360
  N      -2.075501      3.288205      3.584645
  N      -2.405681      3.869797      2.457159
  H      -0.547778      4.999854      5.147716
  H      -3.394652      3.926069      2.202225
  H      -1.740117      3.810255      1.687642
91
Coordinates from ORCA-job orca E -6562.702487248397
  N      -0.969502      1.140092      5.440000
  Mo     -2.225586      2.774169      5.328745
  N      -3.970942      3.088706      6.267400
  C      -4.064881      3.187763      7.731362
  C      -3.022105      2.279208      8.372198
  N      -1.704373      2.535173      7.747556
  C      -0.765418      1.389381      7.855447
  C      -1.001705      0.414378      6.720852
  C      -1.083184      3.777826      8.262765
  C      -0.268494      4.443579      7.167158
  N      -1.144517      4.681435      5.990124
  H      -0.213468     -0.359915      6.735695
  H      -1.964752     -0.119098      6.865944
  H       0.255207      1.785600      7.764282
  H      -0.853923      0.901998      8.841327
  H       0.165854      5.390149      7.528237
  H       0.552039      3.794794      6.831310
  H      -1.882559      4.457311      8.586493
  H      -0.460856      3.570963      9.149186
  H      -5.059809      2.877463      8.079945
  H      -3.933289      4.236341      8.067598
  H      -3.303215      1.240249      8.154670
  H      -2.971860      2.412286      9.467997
  C      -3.730419     -6.077168      2.965581
  C      -2.950422     -4.886559      3.462756
  O      -2.000466     -5.010669      4.227857
  C      -3.388299     -3.518115      3.025273
  C      -4.383373     -3.308407      2.058056
  C      -4.781866     -2.017405      1.715103
  C      -4.212256     -0.941107      2.377695
  F      -4.616198      0.303468      2.047702
  C      -3.204069     -1.105690      3.348196
  C      -2.644860      0.033090      4.082571
  O      -3.385023      0.946075      4.500512
  C      -1.159499      0.209902      4.336421
  C      -2.787245     -2.412346      3.633254
  C      -7.956658      6.055751      1.524996
  C      -6.524791      5.752640      1.880282
  O      -5.789211      5.124373      1.124252
  C      -6.002946      6.227039      3.204389
  C      -6.833573      6.707197      4.231422
  C      -6.296973      7.074418      5.465544
  C      -4.928609      6.943055      5.662345
  F      -4.410989      7.306070      6.861180
  C      -4.063669      6.490030      4.656852
  C      -2.607884      6.249152      4.827117
  O      -1.839656      6.303636      3.875137
  C      -2.088322      5.809198      6.189752
  C      -4.627480      6.155651      3.423407
  C      -8.475768     -3.394789      2.718380
  C      -7.576143     -2.703028      3.714825
  O      -6.833564     -3.344949      4.451063
  C      -7.613215     -1.206578      3.790493
  C      -8.401161     -0.423839      2.927997
  C      -8.368762      0.965066      3.006808
  C      -7.538102      1.564401      3.945699
  F      -7.539537      2.920704      4.004840
  C      -6.735767      0.829135      4.829964
  C      -5.777458      1.405393      5.832809
  O      -5.407156      0.724547      6.779016
  C      -5.237812      2.825200      5.605041
  C      -6.805517     -0.565673      4.733760
  H      -3.322200     -6.990044      3.411087
  H      -4.793506     -5.974507      3.233514
  H      -3.676161     -6.152359      1.868358
  H      -4.856486     -4.155794      1.562508
  H      -5.536395     -1.831117      0.950572
  H      -0.761815      0.647457      3.398272
  H      -0.639766     -0.752318      4.483253
  H      -2.017237     -2.597376      4.383538
  H      -8.163963      7.130263      1.635213
  H      -8.642718      5.524147      2.203384
  H      -8.153862      5.737112      0.496248
  H      -7.908766      6.788793      4.070734
  H      -6.921559      7.454630      6.274041
  H      -1.591033      6.679223      6.660424
  H      -2.909192      5.499400      6.840687
  H      -3.972604      5.810974      2.624778
  H      -9.529193     -3.117368      2.874349
  H      -8.362483     -4.478877      2.822390
  H      -8.214984     -3.096824      1.690598
  H      -9.046553     -0.892757      2.185121
  H      -8.978866      1.590882      2.355205
  H      -6.021992      3.532406      5.939929
  H      -5.138659      2.986301      4.523795
  H      -6.187587     -1.164771      5.403955
  N      -2.115573      3.278500      3.610837
  N      -2.447731      3.834304      2.472186
  H      -0.557295      4.962731      5.165205
  H      -3.435606      3.870772      2.209781
  H      -1.773058      3.792757      1.709512
91
Coordinates from ORCA-job orca E -6562.701557746415
  N      -0.999258      1.133308      5.446012
  Mo     -2.251725      2.767014      5.347988
  N      -3.990098      3.076007      6.301957
  C      -4.067783      3.180231      7.767357
  C      -3.026933      2.266344      8.401911
  N      -1.713457      2.519318      7.768367
  C      -0.777840      1.369836      7.862252
  C      -1.026734      0.401522      6.723853
  C      -1.084789      3.759189      8.280939
  C      -0.284429      4.428908      7.177689
  N      -1.170512      4.668132      6.008833
  H      -0.241600     -0.376223      6.729550
  H      -1.990651     -0.129087      6.873407
  H       0.243579      1.762695      7.764673
  H      -0.859194      0.876442      8.845828
  H       0.149988      5.376586      7.535827
  H       0.535418      3.783331      6.833479
  H      -1.879288      4.438698      8.620027
  H      -0.449191      3.547598      9.156763
  H      -5.062674      2.882147      8.127386
  H      -3.921174      4.228740      8.098353
  H      -3.313846      1.228766      8.186469
  H      -2.968874      2.399818      9.497327
  C      -3.695208     -6.048586      2.806760
  C      -2.935521     -4.863659      3.345588
  O      -1.978559     -4.998070      4.100350
  C      -3.395769     -3.490123      2.951395
  C      -4.403880     -3.269298      2.000307
  C      -4.825337     -1.976018      1.696683
  C      -4.264879     -0.910052      2.382875
  F      -4.690591      0.336234      2.090469
  C      -3.242236     -1.085188      3.336576
  C      -2.684653      0.042142      4.085418
  O      -3.421592      0.950966      4.517645
  C      -1.197476      0.213637      4.334989
  C      -2.804775     -2.392877      3.583642
  C      -7.823549      6.251796      1.335287
  C      -6.420326      5.884750      1.738970
  O      -5.677115      5.248425      0.996640
  C      -5.939222      6.305999      3.095712
  C      -6.802218      6.770896      4.102308
  C      -6.311749      7.089556      5.368758
  C      -4.953785      6.936459      5.614598
  F      -4.477656      7.268422      6.838627
  C      -4.054876      6.504825      4.629012
  C      -2.607595      6.259196      4.846844
  O      -1.804072      6.349367      3.926555
  C      -2.125521      5.788055      6.215701
  C      -4.573672      6.205614      3.366305
  C      -8.425723     -3.504373      2.874752
  C      -7.504511     -2.782842      3.829514
  O      -6.722289     -3.401250      4.544751
  C      -7.590169     -1.287981      3.908467
  C      -8.428599     -0.532093      3.070222
  C      -8.440770      0.857345      3.148408
  C      -7.602941      1.485647      4.061849
  F      -7.650788      2.841140      4.123404
  C      -6.750683      0.777082      4.922026
  C      -5.782795      1.380220      5.900730
  O      -5.383300      0.711228      6.843233
  C      -5.263573      2.805978      5.657206
  C      -6.776811     -0.619610      4.827463
  H      -3.267196     -6.969998      3.214620
  H      -4.758634     -5.976534      3.083976
  H      -3.645632     -6.078942      1.707335
  H      -4.869417     -4.109923      1.486561
  H      -5.591322     -1.781366      0.945932
  H      -0.803096      0.657694      3.398715
  H      -0.679195     -0.751086      4.471278
  H      -2.025434     -2.587439      4.322307
  H      -7.989152      7.332814      1.458718
  H      -8.557444      5.738953      1.976302
  H      -7.992942      5.959804      0.293789
  H      -7.868775      6.878281      3.901672
  H      -6.963329      7.457199      6.161578
  H      -1.633974      6.650301      6.707527
  H      -2.959009      5.466953      6.844080
  H      -3.891532      5.874936      2.584096
  H      -9.478683     -3.259999      3.080755
  H      -8.273399     -4.584202      2.972654
  H      -8.223530     -3.199006      1.836138
  H      -9.081765     -1.022947      2.348661
  H      -9.092884      1.461389      2.517431
  H      -6.047130      3.508433      6.004404
  H      -5.180811      2.966026      4.573221
  H      -6.120816     -1.197233      5.480133
  N      -2.154823      3.276895      3.630987
  N      -2.482602      3.829277      2.490394
  H      -0.603304      4.928295      5.237321
  H      -3.468612      3.873682      2.224559
  H      -1.802610      3.790721      1.732680
91
Coordinates from ORCA-job orca E -6562.702787836656
  N      -0.975722      1.140402      5.439848
  Mo     -2.229778      2.774567      5.338052
  N      -3.969950      3.085532      6.287878
  C      -4.054361      3.182117      7.753269
  C      -3.009632      2.271307      8.387584
  N      -1.695268      2.529613      7.756904
  C      -0.755074      1.384642      7.854866
  C      -0.999376      0.412269      6.719743
  C      -1.072263      3.772277      8.269915
  C      -0.270117      4.443971      7.168680
  N      -1.156226      4.681373      5.999094
  H      -0.210922     -0.361956      6.727730
  H      -1.961071     -0.122030      6.870585
  H       0.264608      1.781788      7.756711
  H      -0.835454      0.894423      8.840028
  H       0.162231      5.392064      7.528220
  H       0.551179      3.799975      6.825152
  H      -1.870257      4.448740      8.604936
  H      -0.439314      3.564557      9.148666
  H      -5.048324      2.874956      8.107775
  H      -3.916993      4.229861      8.090056
  H      -3.292088      1.233015      8.169517
  H      -2.953848      2.402371      9.483423
  C      -3.707080     -6.063232      2.900884
  C      -2.936667     -4.874343      3.415365
  O      -1.973464     -5.002624      4.163163
  C      -3.388653     -3.504324      2.999465
  C      -4.395999     -3.291690      2.045877
  C      -4.809439     -2.000449      1.722880
  C      -4.242570     -0.927632      2.392978
  F      -4.660029      0.316982      2.081457
  C      -3.220354     -1.094853      3.348493
  C      -2.659467      0.039358      4.086150
  O      -3.396434      0.951259      4.511246
  C      -1.172642      0.214112      4.334089
  C      -2.789870     -2.401239      3.614047
  C      -7.894870      6.079169      1.437887
  C      -6.472629      5.763151      1.818571
  O      -5.726334      5.134835      1.073062
  C      -5.977221      6.219741      3.158363
  C      -6.831009      6.679247      4.175342
  C      -6.322574      7.029323      5.426332
  C      -4.957200      6.907969      5.647482
  F      -4.465497      7.261114      6.859681
  C      -4.068851      6.480493      4.651189
  C      -2.614867      6.254701      4.846387
  O      -1.829434      6.334901      3.910449
  C      -2.111281      5.798120      6.211041
  C      -4.604997      6.155505      3.402743
  C      -8.485799     -3.404201      2.772827
  C      -7.574629     -2.708201      3.755660
  O      -6.828891     -3.347607      4.491180
  C      -7.617023     -1.211353      3.829722
  C      -8.413198     -0.432832      2.971133
  C      -8.385715      0.956442      3.047359
  C      -7.551963      1.560974      3.980218
  F      -7.557929      2.917479      4.036302
  C      -6.741688      0.829786      4.861197
  C      -5.779816      1.408740      5.859723
  O      -5.405841      0.727923      6.804340
  C      -5.241634      2.829574      5.632741
  C      -6.805966     -0.565613      4.766939
  H      -3.283407     -6.980186      3.323027
  H      -4.768734     -5.979065      3.181426
  H      -3.662771     -6.114126      1.801818
  H      -4.866984     -4.137191      1.545054
  H      -5.574230     -1.812059      0.969230
  H      -0.779245      0.654233      3.395476
  H      -0.652795     -0.748895      4.474937
  H      -2.010932     -2.589197      4.354345
  H      -8.093492      7.155767      1.547912
  H      -8.598885      5.552616      2.101372
  H      -8.075145      5.765671      0.404526
  H      -7.903768      6.756422      3.994982
  H      -6.966472      7.392531      6.227400
  H      -1.622624      6.664110      6.698944
  H      -2.937221      5.472217      6.847847
  H      -3.931672      5.825849      2.612439
  H      -9.537105     -3.126386      2.941739
  H      -8.370811     -4.487860      2.879139
  H      -8.238720     -3.109605      1.740821
  H      -9.062254     -0.905442      2.233849
  H      -9.002973      1.578650      2.399142
  H      -6.021520      3.537642      5.976590
  H      -5.149192      2.994825      4.550665
  H      -6.182253     -1.161225      5.434921
  N      -2.131345      3.285573      3.622273
  N      -2.470174      3.847259      2.487990
  H      -0.580165      4.967856      5.191813
  H      -3.459717      3.880138      2.231358
  H      -1.800751      3.808595      1.720482
91
Coordinates from ORCA-job orca E -6562.702813469482
  N      -0.973202      1.131262      5.450607
  Mo     -2.224876      2.767702      5.330720
  N      -3.969707      3.088619      6.267745
  C      -4.066839      3.190806      7.731637
  C      -3.028898      2.280661      8.377185
  N      -1.709222      2.533205      7.756165
  C      -0.772581      1.386178      7.866744
  C      -1.009510      0.409422      6.733635
  C      -1.087155      3.776511      8.268376
  C      -0.273303      4.439228      7.170425
  N      -1.149403      4.677040      5.993714
  H      -0.222776     -0.366448      6.751622
  H      -1.973524     -0.122266      6.878856
  H       0.248849      1.780443      7.775772
  H      -0.862425      0.900167      8.853224
  H       0.162634      5.386018      7.529143
  H       0.545926      3.788276      6.835232
  H      -1.885809      4.457732      8.591970
  H      -0.463460      3.571122      9.154175
  H      -5.063731      2.884381      8.078308
  H      -3.932382      4.239583      8.066656
  H      -3.311992      1.241988      8.160854
  H      -2.981958      2.415803      9.472919
  C      -3.719004     -6.071172      2.910217
  C      -2.945401     -4.884513      3.425781
  O      -1.994041     -5.015188      4.188161
  C      -3.388100     -3.512896      3.004601
  C      -4.385153     -3.296753      2.040874
  C      -4.787761     -2.003885      1.710360
  C      -4.220823     -0.932598      2.382935
  F      -4.627016      0.313814      2.063540
  C      -3.210568     -1.103482      3.350510
  C      -2.651095      0.030114      4.090677
  O      -3.388305      0.945702      4.508379
  C      -1.165652      0.200046      4.348166
  C      -2.789775     -2.411568      3.623115
  C      -7.950197      6.099438      1.507967
  C      -6.527395      5.764798      1.870634
  O      -5.804308      5.112514      1.122794
  C      -6.000396      6.239947      3.191913
  C      -6.827435      6.740957      4.211494
  C      -6.291040      7.108354      5.445732
  C      -4.925232      6.961211      5.648178
  F      -4.405936      7.328173      6.844802
  C      -4.062800      6.491693      4.648320
  C      -2.610403      6.240658      4.826070
  O      -1.836602      6.293919      3.878664
  C      -2.098221      5.801361      6.192673
  C      -4.626219      6.150502      3.416352
  C      -8.457538     -3.420375      2.758960
  C      -7.556088     -2.717895      3.746270
  O      -6.808023     -3.351813      4.483992
  C      -7.602251     -1.221024      3.814044
  C      -8.398323     -0.447984      2.950454
  C      -8.375381      0.941651      3.021972
  C      -7.545522      1.551669      3.954761
  F      -7.556780      2.908347      4.007402
  C      -6.735193      0.825960      4.840133
  C      -5.777525      1.411437      5.838712
  O      -5.405510      0.736317      6.788154
  C      -5.236502      2.829952      5.604184
  C      -6.795448     -0.569805      4.750981
  H      -3.309151     -6.988159      3.345758
  H      -4.784004     -5.976627      3.173453
  H      -3.658115     -6.131261      1.812402
  H      -4.855526     -4.140757      1.537109
  H      -5.543434     -1.813123      0.948167
  H      -0.762492      0.632444      3.410132
  H      -0.651757     -0.764861      4.498556
  H      -2.018217     -2.601692      4.370650
  H      -8.128934      7.180744      1.603809
  H      -8.651882      5.595432      2.191076
  H      -8.152677      5.772703      0.482816
  H      -7.900871      6.838052      4.046059
  H      -6.913598      7.503894      6.248387
  H      -1.602520      6.673278      6.662755
  H      -2.920883      5.491131      6.840847
  H      -3.973074      5.789318      2.623153
  H      -9.511443     -3.147757      2.919725
  H      -8.337821     -4.503216      2.868407
  H      -8.204553     -3.126819      1.728000
  H      -9.043338     -0.925470      2.212757
  H      -8.992511      1.559812      2.369773
  H      -6.018097      3.541056      5.937437
  H      -5.135740      2.987864      4.521962
  H      -6.171670     -1.161390      5.422464
  N      -2.113428      3.265604      3.611788
  N      -2.450419      3.814914      2.469536
  H      -0.570175      4.951041      5.186596
  H      -3.439563      3.835554      2.209707
  H      -1.782699      3.748529      1.702214
91
Coordinates from ORCA-job orca E -6562.702827767532
  N      -0.970619      1.135109      5.448129
  Mo     -2.221632      2.771590      5.332959
  N      -3.964950      3.089777      6.273485
  C      -4.059429      3.189604      7.737916
  C      -3.019330      2.279735      8.380470
  N      -1.701088      2.534553      7.757085
  C      -0.763035      1.388603      7.863851
  C      -1.002388      0.412453      6.730799
  C      -1.079133      3.778086      8.268990
  C      -0.269800      4.444158      7.169842
  N      -1.149586      4.681280      5.995619
  H      -0.214926     -0.362721      6.746051
  H      -1.965474     -0.120233      6.878442
  H       0.257667      1.784089      7.769925
  H      -0.849278      0.901686      8.850199
  H       0.164253      5.391828      7.528543
  H       0.550524      3.796027      6.831851
  H      -1.877759      4.457235      8.596799
  H      -0.451678      3.572574      9.152166
  H      -5.055484      2.882197      8.086098
  H      -3.924955      4.238008      8.073840
  H      -3.301788      1.241087      8.163411
  H      -2.970269      2.413491      9.476295
  C      -3.714973     -6.066687      2.907572
  C      -2.942784     -4.879634      3.424071
  O      -1.986951     -5.010140      4.180872
  C      -3.387872     -3.508272      3.004816
  C      -4.388073     -3.292770      2.044285
  C      -4.793721     -2.000254      1.716274
  C      -4.226573     -0.928772      2.388258
  F      -4.635644      0.317190      2.071054
  C      -3.212312     -1.098884      3.351857
  C      -2.651770      0.034577      4.091088
  O      -3.388094      0.950024      4.510497
  C      -1.165607      0.204753      4.345546
  C      -2.788959     -2.406695      3.622217
  C      -7.934594      6.050899      1.494146
  C      -6.509017      5.733492      1.861455
  O      -5.776476      5.087365      1.117438
  C      -5.993364      6.211013      3.186013
  C      -6.830996      6.696595      4.204277
  C      -6.304578      7.066484      5.442122
  C      -4.937714      6.937186      5.649114
  F      -4.427582      7.307502      6.848570
  C      -4.065307      6.483759      4.650478
  C      -2.611184      6.248839      4.834326
  O      -1.833561      6.313908      3.890940
  C      -2.101790      5.802169      6.200089
  C      -4.618751      6.139924      3.414932
  C      -8.480352     -3.397428      2.755879
  C      -7.572317     -2.700296      3.740872
  O      -6.828718     -3.338765      4.479245
  C      -7.612303     -1.203288      3.811170
  C      -8.404220     -0.425406      2.948127
  C      -8.374472      0.964026      3.021201
  C      -7.542578      1.569012      3.955427
  F      -7.546631      2.925694      4.008913
  C      -6.736677      0.838393      4.840799
  C      -5.777339      1.418011      5.841256
  O      -5.407307      0.738807      6.788565
  C      -5.233411      2.836094      5.611165
  C      -6.803230     -0.556995      4.749629
  H      -3.300610     -6.983940      3.338261
  H      -4.779193     -5.976219      3.175596
  H      -3.658503     -6.122852      1.809310
  H      -4.858916     -4.137027      1.541351
  H      -5.552170     -1.809964      0.956721
  H      -0.765072      0.638522      3.407016
  H      -0.650715     -0.759893      4.493550
  H      -2.015540     -2.596605      4.367776
  H      -8.125650      7.130393      1.587084
  H      -8.632686      5.540629      2.176280
  H      -8.130226      5.719909      0.469041
  H      -7.905148      6.779163      4.035334
  H      -6.935711      7.450354      6.243729
  H      -1.609563      6.671241      6.678839
  H      -2.926420      5.484708      6.842434
  H      -3.957824      5.790112      2.623119
  H      -9.532046     -3.117524      2.918651
  H      -8.367694     -4.480976      2.865776
  H      -8.227568     -3.106219      1.724225
  H      -9.051127     -0.898824      2.209459
  H      -8.988091      1.585952      2.369269
  H      -6.012770      3.548134      5.947655
  H      -5.133954      2.996927      4.529160
  H      -6.182658     -1.152340      5.420755
  N      -2.115490      3.273261      3.615005
  N      -2.462444      3.828437      2.478161
  H      -0.572947      4.957480      5.192991
  H      -3.453606      3.844485      2.224978
  H      -1.800603      3.766288      1.705268
91
Coordinates from ORCA-job orca E -6562.702768072600
  N      -0.963435      1.137276      5.448829
  Mo     -2.210777      2.775540      5.332023
  N      -3.953551      3.094447      6.272313
  C      -4.049832      3.193266      7.736867
  C      -3.009303      2.284217      8.380085
  N      -1.690865      2.539915      7.757583
  C      -0.752070      1.394984      7.863990
  C      -0.992672      0.417081      6.732865
  C      -1.069632      3.784222      8.268206
  C      -0.263887      4.452485      7.167891
  N      -1.146839      4.687929      5.995520
  H      -0.204844     -0.357716      6.748353
  H      -1.955217     -0.115959      6.882777
  H       0.268113      1.791185      7.767377
  H      -0.835835      0.909114      8.851105
  H       0.167979      5.401399      7.525953
  H       0.557725      3.806842      6.828238
  H      -1.868540      4.461529      8.598997
  H      -0.438949      3.579921      9.149470
  H      -5.045930      2.884675      8.083767
  H      -3.916751      4.241658      8.073268
  H      -3.290979      1.245400      8.162705
  H      -2.961081      2.417623      9.476001
  C      -3.709282     -6.063340      2.906445
  C      -2.939610     -4.876194      3.426217
  O      -1.979248     -5.007165      4.177186
  C      -3.386490     -3.504722      3.009419
  C      -4.389643     -3.289084      2.052062
  C      -4.797124     -1.996591      1.726361
  C      -4.228660     -0.925318      2.397396
  F      -4.639666      0.320501      2.082385
  C      -3.210696     -1.095421      3.357234
  C      -2.647780      0.037602      4.094754
  O      -3.381822      0.955386      4.513193
  C      -1.160966      0.205198      4.348362
  C      -2.786222     -2.403358      3.625813
  C      -7.932950      5.951755      1.509647
  C      -6.503250      5.657232      1.880030
  O      -5.764065      5.007371      1.145737
  C      -5.993109      6.157118      3.197880
  C      -6.836922      6.638290      4.212918
  C      -6.315237      7.026672      5.447291
  C      -4.946346      6.920094      5.653249
  F      -4.439364      7.308442      6.848286
  C      -4.068506      6.473690      4.656346
  C      -2.611932      6.258076      4.842919
  O      -1.832771      6.334667      3.902088
  C      -2.103815      5.803865      6.207206
  C      -4.616855      6.111075      3.424380
  C      -8.514521     -3.354294      2.738744
  C      -7.600074     -2.665236      3.723375
  O      -6.866879     -3.310407      4.466366
  C      -7.626788     -1.167827      3.793419
  C      -8.406627     -0.382745      2.925960
  C      -8.363199      1.006363      2.998204
  C      -7.530376      1.603702      3.936459
  F      -7.521249      2.960419      3.988515
  C      -6.736521      0.865799      4.826784
  C      -5.776632      1.436200      5.832300
  O      -5.416682      0.752911      6.780563
  C      -5.222686      2.851164      5.607316
  C      -6.816355     -0.528949      4.735860
  H      -3.291257     -6.981017      3.332693
  H      -4.773499     -5.977724      3.176042
  H      -3.653940     -6.114896      1.807862
  H      -4.861733     -4.133232      1.550075
  H      -5.558113     -1.806251      0.969363
  H      -0.760109      0.636837      3.408954
  H      -0.647578     -0.760014      4.497409
  H      -2.011196     -2.593724      4.369501
  H      -8.135309      7.030754      1.582947
  H      -8.624754      5.446815      2.202009
  H      -8.126073      5.600260      0.490902
  H      -7.912615      6.701583      4.045151
  H      -6.951689      7.407073      6.246317
  H      -1.616414      6.669537      6.696655
  H      -2.930649      5.477066      6.842303
  H      -3.951581      5.763611      2.635232
  H      -9.562884     -3.060075      2.897740
  H      -8.416176     -4.438788      2.852881
  H      -8.255407     -3.070240      1.706669
  H      -9.054670     -0.850187      2.184476
  H      -8.967181      1.634020      2.342770
  H      -5.997500      3.568198      5.943616
  H      -5.120240      3.013291      4.525739
  H      -6.204968     -1.130103      5.410228
  N      -2.108242      3.277632      3.614748
  N      -2.476476      3.839005      2.485602
  H      -0.572818      4.969269      5.196758
  H      -3.471815      3.837216      2.246540
  H      -1.829926      3.769365      1.700079
91
Coordinates from ORCA-job orca E -6562.702554409872
  N      -0.951595      1.137886      5.452594
  Mo     -2.194360      2.778064      5.328989
  N      -3.936715      3.098873      6.267405
  C      -4.037480      3.198556      7.731873
  C      -2.996763      2.292290      8.378814
  N      -1.677505      2.548632      7.759058
  C      -0.737640      1.405447      7.867061
  C      -0.978763      0.423548      6.739779
  C      -1.058125      3.794892      8.266187
  C      -0.257548      4.464685      7.163309
  N      -1.144899      4.696022      5.993307
  H      -0.190357     -0.350615      6.757619
  H      -1.940625     -0.109879      6.892639
  H       0.281853      1.802717      7.767245
  H      -0.818694      0.922012      8.855663
  H       0.171218      5.415872      7.519049
  H       0.565889      3.822023      6.822358
  H      -1.857773      4.469861      8.599968
  H      -0.423025      3.593991      9.145208
  H      -5.033813      2.887855      8.076052
  H      -3.907697      4.247578      8.067438
  H      -3.276611      1.252742      8.162392
  H      -2.951505      2.427162      9.474701
  C      -3.691964     -6.063844      2.903522
  C      -2.928701     -4.876087      3.430916
  O      -1.963873     -5.007160      4.176130
  C      -3.379169     -3.504572      3.018417
  C      -4.385715     -3.288945      2.064688
  C      -4.796380     -1.996603      1.742564
  C      -4.227430     -0.925595      2.413352
  F      -4.640906      0.319908      2.100785
  C      -3.205191     -1.095473      3.368972
  C      -2.639735      0.037208      4.104041
  O      -3.370825      0.958566      4.520221
  C      -1.152077      0.201187      4.356928
  C      -2.778490     -2.403427      3.634674
  C      -7.940803      5.811241      1.548895
  C      -6.506243      5.544525      1.921886
  O      -5.763439      4.878814      1.205321
  C      -5.997241      6.085709      3.223027
  C      -6.843507      6.574069      4.232294
  C      -6.322735      6.995538      5.456520
  C      -4.951402      6.914471      5.656950
  F      -4.442508      7.331835      6.841308
  C      -4.072095      6.465358      4.662861
  C      -2.612833      6.270468      4.850532
  O      -1.832960      6.357296      3.911990
  C      -2.107547      5.806056      6.213235
  C      -4.618633      6.069309      3.441228
  C      -8.566256     -3.288201      2.705484
  C      -7.641664     -2.612386      3.689694
  O      -6.922248     -3.268048      4.437021
  C      -7.648274     -1.114652      3.760831
  C      -8.409524     -0.318160      2.887334
  C      -8.345764      1.070138      2.959891
  C      -7.512368      1.655010      3.905360
  F      -7.483594      3.011498      3.957010
  C      -6.736822      0.905556      4.802313
  C      -5.776691      1.461680      5.815894
  O      -5.432829      0.772644      6.765967
  C      -5.206366      2.871136      5.597627
  C      -6.836176     -0.487893      4.710083
  H      -3.269290     -6.981790      3.324617
  H      -4.757291     -5.986632      3.171108
  H      -3.633869     -6.108324      1.804696
  H      -4.858312     -4.132976      1.562930
  H      -5.560319     -1.806398      0.988516
  H      -0.749568      0.627400      3.415717
  H      -0.641463     -0.764766      4.509984
  H      -2.001788     -2.594315      4.376390
  H      -8.152078      6.890585      1.582984
  H      -8.625110      5.326582      2.262676
  H      -8.134957      5.421223      0.544444
  H      -7.921164      6.614804      4.069967
  H      -6.962007      7.380727      6.250949
  H      -1.625973      6.666197      6.717373
  H      -2.938734      5.468341      6.837403
  H      -3.951579      5.714706      2.656879
  H      -9.609234     -2.973190      2.859985
  H      -8.488927     -4.373876      2.824393
  H      -8.298779     -3.013631      1.672970
  H      -9.058637     -0.776018      2.140807
  H      -8.934636      1.706907      2.299506
  H      -5.973922      3.596454      5.932532
  H      -5.098619      3.034146      4.516645
  H      -6.238786     -1.098286      5.388663
  N      -2.096104      3.276505      3.611963
  N      -2.504149      3.840841      2.493604
  H      -0.573796      4.984285      5.195405
  H      -3.505156      3.796701      2.279123
  H      -1.885143      3.750664      1.687406
91
Coordinates from ORCA-job orca E -6562.702633953522
  N      -0.953037      1.137457      5.454989
  Mo     -2.196205      2.777113      5.331053
  N      -3.937843      3.096542      6.271089
  C      -4.037469      3.198149      7.735723
  C      -2.997251      2.292081      8.383590
  N      -1.678159      2.547826      7.764290
  C      -0.738533      1.404567      7.870249
  C      -0.980488      0.423495      6.742490
  C      -1.058864      3.794167      8.270244
  C      -0.261342      4.464414      7.165738
  N      -1.150460      4.694769      5.997075
  H      -0.192493     -0.351111      6.759946
  H      -1.942543     -0.109522      6.895411
  H       0.280945      1.801878      7.770111
  H      -0.818739      0.919785      8.858294
  H       0.166969      5.416253      7.520257
  H       0.562296      3.822444      6.823850
  H      -1.858237      4.468354      8.606682
  H      -0.420844      3.593750      9.147323
  H      -5.033801      2.888299      8.080792
  H      -3.906928      4.247580      8.069471
  H      -3.277210      1.252423      8.168095
  H      -2.952676      2.428119      9.479393
  C      -3.678628     -6.060982      2.877749
  C      -2.920281     -4.873539      3.412765
  O      -1.954184     -5.005592      4.156167
  C      -3.375606     -3.501249      3.008323
  C      -4.384636     -3.283741      2.057638
  C      -4.799823     -1.991003      1.743017
  C      -4.232602     -0.921792      2.418055
  F      -4.650017      0.324003      2.112072
  C      -3.207923     -1.093444      3.370892
  C      -2.642615      0.037321      4.108278
  O      -3.372930      0.958298      4.527067
  C      -1.154627      0.200388      4.359854
  C      -2.777105     -2.401582      3.629195
  C      -7.920417      5.824055      1.523594
  C      -6.489101      5.552741      1.905880
  O      -5.744277      4.884228      1.193812
  C      -5.985553      6.093705      3.209184
  C      -6.836125      6.580577      4.215473
  C      -6.321164      7.000996      5.442655
  C      -4.950736      6.920277      5.648870
  F      -4.446448      7.335125      6.836005
  C      -4.067254      6.472553      4.657697
  C      -2.608946      6.276147      4.852959
  O      -1.823053      6.367044      3.920174
  C      -2.112389      5.805362      6.217355
  C      -4.607539      6.077879      3.432986
  C      -8.569675     -3.294254      2.719635
  C      -7.638137     -2.617873      3.696894
  O      -6.908120     -3.272952      4.434391
  C      -7.650287     -1.120371      3.773161
  C      -8.419695     -0.324008      2.906738
  C      -8.361472      1.064295      2.983844
  C      -7.525148      1.649296      3.926623
  F      -7.502521      3.005645      3.983987
  C      -6.741241      0.899936      4.816321
  C      -5.777844      1.456999      5.826205
  O      -5.430739      0.768738      6.775610
  C      -5.209077      2.866772      5.604734
  C      -6.835290     -0.493586      4.719951
  H      -3.252374     -6.979807      3.293296
  H      -4.744494     -5.990183      3.144821
  H      -3.619328     -6.098200      1.778705
  H      -4.855579     -4.126524      1.552252
  H      -5.566022     -1.799337      0.991653
  H      -0.752014      0.625843      3.418372
  H      -0.644688     -0.765902      4.513045
  H      -1.998726     -2.594210      4.368761
  H      -8.125900      6.904808      1.550897
  H      -8.611507      5.346854      2.235652
  H      -8.110503      5.430417      0.519768
  H      -7.913163      6.621060      4.049030
  H      -6.964443      7.385150      6.234330
  H      -1.630049      6.661687      6.726864
  H      -2.948249      5.467601      6.835280
  H      -3.936503      5.723851      2.651637
  H      -9.612367     -2.984603      2.886412
  H      -8.486079     -4.380016      2.833394
  H      -8.314478     -3.014455      1.685415
  H      -9.071493     -0.782065      2.162670
  H      -8.956982      1.700958      2.329336
  H      -5.976060      3.591908      5.941168
  H      -5.104699      3.028247      4.523195
  H      -6.231709     -1.103913      5.393083
  N      -2.100298      3.273798      3.614531
  N      -2.525811      3.829414      2.495796
  H      -0.579047      4.991214      5.188967
  H      -3.527854      3.760380      2.290352
  H      -1.916343      3.726041      1.683461
91
Coordinates from ORCA-job orca E -6562.701059883832
  N      -0.949660      1.100136      5.473906
  Mo     -2.176819      2.746855      5.273952
  N      -3.929135      3.123378      6.168418
  C      -4.053925      3.276983      7.625742
  C      -3.040933      2.376845      8.323404
  N      -1.705086      2.588829      7.724515
  C      -0.788266      1.433725      7.883049
  C      -1.018829      0.424747      6.779128
  C      -1.066762      3.834298      8.201736
  C      -0.243016      4.453920      7.086927
  N      -1.122160      4.681409      5.912867
  H      -0.241924     -0.359223      6.836985
  H      -1.991580     -0.090518      6.924162
  H       0.239810      1.812237      7.796350
  H      -0.898690      0.977411      8.881802
  H       0.204003      5.403713      7.423098
  H       0.567117      3.784736      6.764905
  H      -1.854249      4.535617      8.511398
  H      -0.441796      3.643983      9.090331
  H      -5.061663      2.995406      7.962168
  H      -3.911313      4.334825      7.925508
  H      -3.333459      1.335012      8.137638
  H      -3.018222      2.550161      9.414583
  C      -3.670137     -6.141330      3.014589
  C      -2.907833     -4.944535      3.523695
  O      -1.950364     -5.063251      4.280266
  C      -3.359117     -3.578257      3.093097
  C      -4.363437     -3.374512      2.134108
  C      -4.771168     -2.086273      1.791996
  C      -4.200483     -1.006456      2.447381
  F      -4.612036      0.235008      2.116802
  C      -3.184203     -1.164493      3.411618
  C      -2.619680     -0.020442      4.129848
  O      -3.347299      0.917222      4.513733
  C      -1.136636      0.134950      4.401556
  C      -2.760300     -2.469079      3.696883
  C      -8.077199      5.953282      1.747504
  C      -6.622671      5.710222      2.056399
  O      -5.890738      5.104558      1.276628
  C      -6.070541      6.210446      3.357198
  C      -6.878913      6.610546      4.433959
  C      -6.310204      6.967463      5.656783
  C      -4.929614      6.902089      5.791865
  F      -4.379552      7.231214      6.985547
  C      -4.086170      6.535474      4.732607
  C      -2.616758      6.325853      4.849567
  O      -1.861940      6.488516      3.901021
  C      -2.071047      5.795581      6.172199
  C      -4.682204      6.223815      3.510071
  C      -8.502610     -3.280198      2.603826
  C      -7.614502     -2.592202      3.612938
  O      -6.883649     -3.236696      4.358639
  C      -7.620520     -1.093718      3.664177
  C      -8.361097     -0.307880      2.763836
  C      -8.300245      1.081405      2.822108
  C      -7.486456      1.677106      3.778185
  F      -7.457792      3.034233      3.815587
  C      -6.731891      0.937852      4.700923
  C      -5.790322      1.506003      5.723911
  O      -5.477673      0.834979      6.697217
  C      -5.188488      2.898055      5.480702
  C      -6.830175     -0.456211      4.624135
  H      -3.251665     -7.051621      3.456021
  H      -4.737360     -6.058862      3.271187
  H      -3.602609     -6.205914      1.917364
  H      -4.836278     -4.224787      1.643309
  H      -5.535287     -1.906620      1.035669
  H      -0.709710      0.526673      3.456249
  H      -0.642499     -0.832887      4.593786
  H      -1.984999     -2.650261      4.443292
  H      -8.316232      7.024137      1.832326
  H      -8.719518      5.421473      2.466113
  H      -8.299248      5.599113      0.735445
  H      -7.963748      6.629033      4.329658
  H      -6.921029      7.281989      6.502998
  H      -1.560067      6.630545      6.686293
  H      -2.883426      5.448659      6.813534
  H      -4.042998      5.943907      2.675205
  H      -9.554127     -2.984913      2.736717
  H      -8.407934     -4.364761      2.720141
  H      -8.217440     -2.996454      1.578212
  H      -8.992532     -0.775864      2.008470
  H      -8.873324      1.710250      2.140585
  H      -5.948196      3.646753      5.780290
  H      -5.055084      3.030110      4.398535
  H      -6.250166     -1.059200      5.323964
  N      -2.040321      3.158367      3.540335
  N      -2.456849      3.620735      2.372735
  H      -0.561690      4.836390      5.074312
  H      -3.453648      3.509084      2.154532
  H      -1.832691      3.455358      1.581156
91
Coordinates from ORCA-job orca E -6562.697492734698
  N      -0.946674      1.109326      5.476721
  Mo     -2.174601      2.757089      5.281552
  N      -3.930019      3.132770      6.170672
  C      -4.061677      3.279317      7.627752
  C      -3.053858      2.374536      8.325659
  N      -1.714653      2.588713      7.735264
  C      -0.799776      1.430956      7.890650
  C      -1.024286      0.428354      6.778588
  C      -1.075475      3.830334      8.221750
  C      -0.243021      4.447996      7.111763
  N      -1.112997      4.684931      5.932620
  H      -0.248119     -0.356403      6.836649
  H      -1.998257     -0.086854      6.915167
  H       0.229324      1.809118      7.813975
  H      -0.917367      0.967602      8.885341
  H       0.211422      5.392953      7.451786
  H       0.562301      3.771387      6.793150
  H      -1.860688      4.533467      8.531930
  H      -0.454571      3.632899      9.111480
  H      -5.071631      2.997704      7.957470
  H      -3.919267      4.334772      7.934764
  H      -3.345360      1.333643      8.133220
  H      -3.038419      2.543040      9.417659
  C      -3.693429     -6.112548      2.969790
  C      -2.918754     -4.923483      3.478849
  O      -1.970109     -5.050940      4.244994
  C      -3.361177     -3.551948      3.054941
  C      -4.359712     -3.336592      2.092457
  C      -4.759008     -2.044226      1.756331
  C      -4.187216     -0.971706      2.422748
  F      -4.590645      0.273994      2.098022
  C      -3.178400     -1.141498      3.392904
  C      -2.614938     -0.003548      4.123439
  O      -3.344143      0.931847      4.510201
  C      -1.132065      0.149666      4.398862
  C      -2.760208     -2.449652      3.669371
  C      -8.043279      5.797313      1.750400
  C      -6.583807      5.598925      2.069143
  O      -5.836322      4.990050      1.306602
  C      -6.043548      6.151538      3.354471
  C      -6.859061      6.555471      4.424212
  C      -6.296213      6.945200      5.638916
  C      -4.914708      6.904813      5.777198
  F      -4.376695      7.254901      6.970614
  C      -4.062154      6.533397      4.725723
  C      -2.588940      6.333275      4.845656
  O      -1.832754      6.481535      3.895532
  C      -2.043378      5.815528      6.172767
  C      -4.655493      6.197619      3.507246
  C      -8.536152     -3.269960      2.647821
  C      -7.649807     -2.579035      3.656445
  O      -6.909214     -3.220790      4.394787
  C      -7.644111     -1.080062      3.692580
  C      -8.381453     -0.297477      2.786794
  C      -8.312537      1.092042      2.833466
  C      -7.493051      1.690722      3.783069
  F      -7.455280      3.048003      3.809621
  C      -6.741536      0.954594      4.710232
  C      -5.796711      1.525084      5.727871
  O      -5.487417      0.858710      6.705487
  C      -5.186454      2.912032      5.478224
  C      -6.847950     -0.439284      4.645258
  H      -3.287045     -7.026879      3.414092
  H      -4.760302     -6.016287      3.223416
  H      -3.624034     -6.179485      1.872913
  H      -4.834934     -4.181225      1.594247
  H      -5.519276     -1.856138      0.998262
  H      -0.702055      0.544009      3.456133
  H      -0.640687     -0.820130      4.588434
  H      -1.988758     -2.639203      4.417787
  H      -8.312520      6.862961      1.803400
  H      -8.671152      5.268768      2.484173
  H      -8.254373      5.407858      0.749016
  H      -7.944123      6.548953      4.323498
  H      -6.912890      7.262116      6.479997
  H      -1.517180      6.649762      6.670891
  H      -2.852891      5.486541      6.823993
  H      -4.010521      5.915646      2.677438
  H      -9.588306     -2.977249      2.781096
  H      -8.438684     -4.354135      2.765340
  H      -8.252032     -2.986635      1.621712
  H      -9.016226     -0.768580      2.036202
  H      -8.882262      1.718432      2.146881
  H      -5.942992      3.665263      5.774848
  H      -5.048307      3.042805      4.396371
  H      -6.272202     -1.039953      5.350510
  N      -2.030719      3.174108      3.550181
  N      -2.442867      3.616206      2.373781
  H      -0.679092      5.113214      5.096937
  H      -3.431315      3.473723      2.137991
  H      -1.799662      3.459634      1.595947
91
Coordinates from ORCA-job orca E -6562.697956736677
  N      -0.951846      1.166771      5.476916
  Mo     -2.170300      2.824857      5.351541
  N      -3.917822      3.172216      6.270486
  C      -4.030025      3.268282      7.734039
  C      -3.011461      2.343818      8.389020
  N      -1.680958      2.579584      7.784046
  C      -0.766360      1.415090      7.893965
  C      -1.014144      0.444773      6.756623
  C      -1.037994      3.815353      8.294617
  C      -0.229856      4.476866      7.187850
  N      -1.122978      4.731977      6.026525
  H      -0.241680     -0.345297      6.779391
  H      -1.989197     -0.068906      6.892496
  H       0.262935      1.791232      7.813573
  H      -0.872426      0.924950      8.876875
  H       0.222958      5.416565      7.544985
  H       0.575645      3.815871      6.839308
  H      -1.822530      4.501230      8.637718
  H      -0.400707      3.598981      9.167941
  H      -5.035233      2.975323      8.067742
  H      -3.884991      4.312050      8.076507
  H      -3.302936      1.308403      8.168401
  H      -2.980018      2.477834      9.485383
  C      -3.788090     -5.946803      2.749937
  C      -2.994311     -4.786049      3.292753
  O      -2.048679     -4.949422      4.055888
  C      -3.420584     -3.397296      2.911853
  C      -4.415890     -3.141758      1.956420
  C      -4.802408     -1.835903      1.661373
  C      -4.222964     -0.790969      2.363524
  F      -4.613587      0.468185      2.077059
  C      -3.215812     -1.001235      3.327532
  C      -2.642466      0.107693      4.096105
  O      -3.368439      1.031747      4.517683
  C      -1.153801      0.245785      4.368289
  C      -2.808444     -2.321251      3.560738
  C      -7.826773      5.248205      1.523193
  C      -6.382317      5.134258      1.935592
  O      -5.568719      4.502180      1.267132
  C      -5.944175      5.801694      3.205112
  C      -6.843270      6.244289      4.188697
  C      -6.376868      6.746021      5.402848
  C      -5.007432      6.782250      5.629795
  F      -4.569013      7.252073      6.823006
  C      -4.072548      6.377541      4.664978
  C      -2.603488      6.260980      4.877925
  O      -1.810708      6.366572      3.951227
  C      -2.085749      5.837827      6.248082
  C      -4.572372      5.920930      3.440990
  C      -8.627593     -3.198684      2.820554
  C      -7.705473     -2.514139      3.800851
  O      -6.949334     -3.161646      4.518425
  C      -7.693834     -1.014975      3.841258
  C      -8.455499     -0.227028      2.960442
  C      -8.380688      1.162134      3.009960
  C      -7.533242      1.755409      3.938086
  F      -7.491085      3.112349      3.969168
  C      -6.757299      1.014672      4.840110
  C      -5.786357      1.577933      5.836968
  O      -5.450571      0.901344      6.799058
  C      -5.184833      2.969708      5.593895
  C      -6.868378     -0.378987      4.772254
  H      -3.396303     -6.880429      3.166181
  H      -4.852333     -5.837291      3.012283
  H      -3.725425     -5.983077      1.651272
  H      -4.899275     -3.965601      1.431777
  H      -5.559826     -1.616157      0.908966
  H      -0.731704      0.671979      3.435975
  H      -0.663941     -0.731053      4.519476
  H      -2.039517     -2.541925      4.302102
  H      -8.141254      6.301751      1.482188
  H      -8.473812      4.746926      2.260315
  H      -7.965261      4.777511      0.544508
  H      -7.918726      6.180738      4.020970
  H      -7.059033      7.095659      6.177831
  H      -1.597269      6.705964      6.728407
  H      -2.896995      5.500368      6.890814
  H      -3.863772      5.603687      2.675460
  H      -9.673866     -2.900479      2.986303
  H      -8.532676     -4.283540      2.933792
  H      -8.373213     -2.915231      1.787174
  H      -9.113144     -0.692920      2.226531
  H      -8.968227      1.792385      2.342144
  H      -5.936118      3.714991      5.922687
  H      -5.068161      3.125120      4.512289
  H      -6.274444     -0.982961      5.459416
  N      -2.020604      3.322628      3.638694
  N      -2.377776      3.863331      2.496836
  H      -0.423987      5.104026      5.273560
  H      -3.367934      3.802584      2.245909
  H      -1.733287      3.742819      1.715538
91
Coordinates from ORCA-job orca E -6562.698955611119
  N      -0.988447      1.128641      5.449611
  Mo     -2.227385      2.783197      5.322210
  N      -3.965054      3.114265      6.275134
  C      -4.058837      3.218750      7.744317
  C      -3.022114      2.309686      8.397789
  N      -1.698822      2.553596      7.780125
  C      -0.772722      1.394624      7.877237
  C      -1.024474      0.416747      6.742655
  C      -1.063256      3.794869      8.283682
  C      -0.269887      4.464398      7.171609
  N      -1.167279      4.727087      6.009677
  H      -0.242618     -0.364304      6.760915
  H      -1.991089     -0.108408      6.894745
  H       0.252041      1.779846      7.783884
  H      -0.861680      0.904060      8.861758
  H       0.181626      5.403683      7.531223
  H       0.536422      3.808367      6.815614
  H      -1.850805      4.473957      8.635540
  H      -0.415834      3.582632      9.150694
  H      -5.055673      2.913958      8.092000
  H      -3.924960      4.267465      8.077941
  H      -3.304829      1.270038      8.185860
  H      -2.982694      2.450589      9.493121
  C      -3.683770     -6.059726      2.755288
  C      -2.924469     -4.874649      3.295803
  O      -1.954294     -5.011122      4.032899
  C      -3.399161     -3.497534      2.928289
  C      -4.421008     -3.266695      1.994469
  C      -4.846076     -1.970315      1.708407
  C      -4.274307     -0.910467      2.394821
  F      -4.701964      0.339027      2.117508
  C      -3.242283     -1.096123      3.337428
  C      -2.675574      0.027085      4.088799
  O      -3.407859      0.948040      4.507858
  C      -1.187581      0.186988      4.350605
  C      -2.801564     -2.406269      3.565388
  C      -7.769880      5.933910      1.356879
  C      -6.353453      5.684044      1.804431
  O      -5.560462      5.051667      1.111117
  C      -5.917310      6.215341      3.136758
  C      -6.816764      6.633840      4.130835
  C      -6.356256      7.006055      5.393857
  C      -4.993632      6.941157      5.654977
  F      -4.558897      7.293229      6.889338
  C      -4.059222      6.557683      4.682277
  C      -2.602452      6.356352      4.908831
  O      -1.791627      6.496129      4.003465
  C      -2.114688      5.850560      6.262414
  C      -4.549504      6.227507      3.416166
  C      -8.502167     -3.404577      2.889649
  C      -7.587834     -2.686352      3.853039
  O      -6.803142     -3.305352      4.564759
  C      -7.636790     -1.188596      3.902208
  C      -8.442172     -0.427604      3.036830
  C      -8.422124      0.962896      3.093354
  C      -7.584592      1.583554      4.012157
  F      -7.597066      2.940163      4.053418
  C      -6.766400      0.870940      4.898655
  C      -5.799921      1.469089      5.880047
  O      -5.428076      0.805669      6.838186
  C      -5.243552      2.878511      5.622687
  C      -6.824411     -0.525598      4.825871
  H      -3.249564     -6.981315      3.156020
  H      -4.746518     -5.995351      3.034083
  H      -3.636756     -6.084065      1.655283
  H      -4.894571     -4.102308      1.479516
  H      -5.625454     -1.769830      0.973196
  H      -0.775654      0.605443      3.410285
  H      -0.685305     -0.782543      4.511084
  H      -2.010577     -2.607373      4.289414
  H      -8.008356      7.007392      1.392467
  H      -8.477454      5.423545      2.028211
  H      -7.902579      5.554388      0.338433
  H      -7.888677      6.653377      3.932034
  H      -7.037996      7.336942      6.177406
  H      -1.600873      6.687429      6.771704
  H      -2.938512      5.519468      6.895553
  H      -3.838172      5.936930      2.643268
  H      -9.556011     -3.144849      3.072326
  H      -8.366052     -4.485226      3.001367
  H      -8.275029     -3.112544      1.852479
  H      -9.091619     -0.916081      2.310308
  H      -9.044140      1.572900      2.438097
  H      -6.008099      3.606715      5.959493
  H      -5.149920      3.028996      4.538808
  H      -6.196316     -1.109410      5.499940
  N      -2.112733      3.248307      3.596666
  N      -2.512214      3.740195      2.437983
  H      -0.559419      4.831602      5.177437
  H      -3.504852      3.626695      2.207467
  H      -1.878804      3.619627      1.646675
91
Coordinates from ORCA-job orca E -6562.701579127276
  N      -0.990592      1.110734      5.450867
  Mo     -2.223950      2.761226      5.309795
  N      -3.955616      3.121746      6.253180
  C      -4.047513      3.247619      7.715589
  C      -3.013780      2.343419      8.373044
  N      -1.693106      2.574337      7.746839
  C      -0.769765      1.417905      7.864276
  C      -1.024968      0.421710      6.750981
  C      -1.051375      3.813933      8.234899
  C      -0.247442      4.448941      7.116823
  N      -1.134081      4.695177      5.949859
  H      -0.244849     -0.360564      6.780704
  H      -1.992867     -0.096744      6.914519
  H       0.255641      1.799951      7.762499
  H      -0.859121      0.945657      8.857581
  H       0.214096      5.390235      7.457491
  H       0.551344      3.774853      6.777485
  H      -1.833943      4.506842      8.573102
  H      -0.408299      3.607869      9.106776
  H      -5.045482      2.955167      8.070021
  H      -3.903894      4.299849      8.033272
  H      -3.302212      1.302650      8.176461
  H      -2.967692      2.499232      9.465991
  C      -3.623688     -6.140341      2.955851
  C      -2.886057     -4.926099      3.461410
  O      -1.893961     -5.025247      4.174761
  C      -3.404126     -3.566512      3.084749
  C      -4.456900     -3.373426      2.177007
  C      -4.911216     -2.090587      1.874021
  C      -4.334495     -1.005360      2.516135
  F      -4.784048      0.230251      2.215550
  C      -3.273643     -1.153053      3.432989
  C      -2.696951     -0.005267      4.140496
  O      -3.422233      0.924623      4.545937
  C      -1.206218      0.157851      4.372644
  C      -2.808390     -2.451085      3.680509
  C      -7.941055      5.886642      1.570981
  C      -6.500848      5.652031      1.945663
  O      -5.742542      5.011190      1.220727
  C      -5.998932      6.190915      3.251271
  C      -6.844749      6.601290      4.295239
  C      -6.315504      6.971525      5.530885
  C      -4.939721      6.912407      5.715281
  F      -4.439684      7.255400      6.927010
  C      -4.057676      6.539329      4.690917
  C      -2.589816      6.340495      4.840764
  O      -1.824344      6.459727      3.893101
  C      -2.046985      5.847195      6.178572
  C      -4.617934      6.212455      3.454209
  C      -8.437478     -3.260134      2.566118
  C      -7.542551     -2.581627      3.575429
  O      -6.775318     -3.228890      4.280814
  C      -7.597826     -1.088035      3.689424
  C      -8.390992     -0.291624      2.844849
  C      -8.374794      1.095306      2.961423
  C      -7.552813      1.676950      3.919186
  F      -7.565502      3.031475      4.016635
  C      -6.748719      0.926890      4.787995
  C      -5.796360      1.485410      5.804243
  O      -5.434370      0.786762      6.740735
  C      -5.225577      2.894454      5.586900
  C      -6.803041     -0.465070      4.654853
  H      -3.150385     -7.043290      3.354690
  H      -4.679197     -6.105449      3.264437
  H      -3.607698     -6.176616      1.855440
  H      -4.930188     -4.228059      1.693905
  H      -5.714190     -1.919561      1.156923
  H      -0.808590      0.559606      3.419164
  H      -0.703911     -0.809760      4.542596
  H      -1.991772     -2.622438      4.383685
  H      -8.190161      6.957340      1.613414
  H      -8.605588      5.372166      2.282409
  H      -8.124269      5.498860      0.563460
  H      -7.926113      6.613567      4.158699
  H      -6.953543      7.293664      6.353907
  H      -1.496588      6.685116      6.644331
  H      -2.849152      5.546382      6.854616
  H      -3.949395      5.929422      2.644066
  H      -9.494497     -3.008236      2.739552
  H      -8.302328     -4.344383      2.636389
  H      -8.190987     -2.925998      1.545865
  H      -9.026253     -0.749404      2.086460
  H      -8.986951      1.731946      2.322455
  H      -5.990587      3.623829      5.920418
  H      -5.114303      3.058843      4.506643
  H      -6.183833     -1.076646      5.312275
  N      -2.123222      3.191697      3.574040
  N      -2.511019      3.653234      2.401412
  H      -0.616328      4.976070      5.132494
  H      -3.507654      3.600937      2.163360
  H      -1.867673      3.522462      1.619671
91
Coordinates from ORCA-job orca E -6562.699879276705
  N      -0.953054      1.164288      5.486252
  Mo     -2.176712      2.814784      5.329880
  N      -3.943797      3.152871      6.208975
  C      -4.087188      3.266133      7.663553
  C      -3.084757      2.345828      8.341900
  N      -1.743455      2.579976      7.769913
  C      -0.830233      1.420167      7.903093
  C      -1.045155      0.448701      6.764031
  C      -1.122549      3.807259      8.308094
  C      -0.278252      4.461618      7.236030
  N      -1.121547      4.721571      6.045771
  H      -0.269885     -0.337626      6.809109
  H      -2.021102     -0.067881      6.877362
  H       0.199907      1.799387      7.849998
  H      -0.961399      0.929169      8.882637
  H       0.168027      5.398030      7.608899
  H       0.533879      3.794425      6.914819
  H      -1.919429      4.492930      8.628189
  H      -0.513713      3.585143      9.200523
  H      -5.097962      2.970941      7.978144
  H      -3.953146      4.314245      7.998124
  H      -3.370963      1.309856      8.118749
  H      -3.078255      2.484822      9.438109
  C      -3.825886     -5.918262      2.676055
  C      -3.017440     -4.784524      3.251533
  O      -2.107189     -4.975463      4.050347
  C      -3.387963     -3.386866      2.850511
  C      -4.333101     -3.112634      1.850857
  C      -4.680334     -1.800577      1.538827
  C      -4.117296     -0.768110      2.270680
  F      -4.467290      0.497321      1.964168
  C      -3.158458     -0.996964      3.278767
  C      -2.605976      0.104834      4.070796
  O      -3.345045      1.023832      4.472554
  C      -1.127042      0.243503      4.379796
  C      -2.781885     -2.323339      3.525269
  C      -7.782705      5.594814      1.469436
  C      -6.348830      5.418163      1.896353
  O      -5.548643      4.777238      1.217493
  C      -5.905087      6.016002      3.197131
  C      -6.796183      6.423000      4.204438
  C      -6.318177      6.841786      5.445100
  C      -4.947640      6.835488      5.672023
  F      -4.497658      7.221399      6.890293
  C      -4.021675      6.472739      4.683105
  C      -2.554050      6.326369      4.884079
  O      -1.758372      6.455509      3.962753
  C      -2.051063      5.857298      6.245459
  C      -4.531952      6.094954      3.438739
  C      -8.681901     -3.412176      3.096063
  C      -7.726621     -2.684444      4.011428
  O      -6.977509     -3.300447      4.764078
  C      -7.702966     -1.184197      3.968146
  C      -8.474988     -0.441346      3.057250
  C      -8.397399      0.948690      3.031385
  C      -7.537820      1.588613      3.916586
  F      -7.497223      2.946360      3.881599
  C      -6.749348      0.894269      4.844196
  C      -5.775364      1.508793      5.806558
  O      -5.438521      0.877769      6.798592
  C      -5.193874      2.903229      5.517291
  C      -6.861968     -0.501560      4.851130
  H      -3.481650     -6.864846      3.104895
  H      -4.895581     -5.770879      2.898853
  H      -3.723324     -5.954516      1.580415
  H      -4.809150     -3.927505      1.305877
  H      -5.398261     -1.566779      0.752811
  H      -0.682229      0.669050      3.458262
  H      -0.640660     -0.732992      4.543956
  H      -2.051598     -2.558634      4.301015
  H      -8.065775      6.657910      1.467299
  H      -8.453121      5.083872      2.178272
  H      -7.922506      5.167642      0.470943
  H      -7.872846      6.392145      4.037237
  H      -6.991945      7.159794      6.240804
  H      -1.530306      6.703341      6.729793
  H      -2.872749      5.540651      6.890381
  H      -3.828381      5.812719      2.657954
  H      -9.718882     -3.085804      3.264984
  H      -8.602263     -4.489405      3.275066
  H      -8.445775     -3.198092      2.041490
  H      -9.144790     -0.944426      2.359710
  H      -8.994852      1.543479      2.340310
  H      -5.963126      3.644716      5.810926
  H      -5.064547      3.024865      4.432963
  H      -6.262252     -1.069625      5.563275
  N      -2.005165      3.279083      3.610071
  N      -2.348779      3.750194      2.428664
  H      -0.614793      5.089440      5.204926
  H      -3.333474      3.699738      2.145273
  H      -1.670940      3.632421      1.674666
91
Coordinates from ORCA-job orca E -6562.698543676142
  N      -0.959728      1.199357      5.480016
  Mo     -2.174043      2.871562      5.342034
  N      -3.942457      3.186457      6.247357
  C      -4.073383      3.275591      7.715035
  C      -3.062495      2.350842      8.387986
  N      -1.719893      2.594988      7.813339
  C      -0.804048      1.429438      7.917105
  C      -1.033611      0.470188      6.761948
  C      -1.099301      3.828333      8.356555
  C      -0.270228      4.517026      7.283435
  N      -1.127098      4.788219      6.097467
  H      -0.256948     -0.315750      6.789574
  H      -2.006669     -0.050997      6.882615
  H       0.225683      1.808450      7.858137
  H      -0.923929      0.924066      8.890848
  H       0.165540      5.452999      7.670250
  H       0.550320      3.868831      6.945121
  H      -1.900368      4.500066      8.692144
  H      -0.480209      3.604250      9.241398
  H      -5.081382      2.973762      8.032513
  H      -3.943035      4.320048      8.061960
  H      -3.345738      1.316051      8.155863
  H      -3.053776      2.478891      9.485725
  C      -3.979787     -5.807255      2.512910
  C      -3.130819     -4.719998      3.116604
  O      -2.232193     -4.959327      3.915611
  C      -3.451903     -3.306123      2.736820
  C      -4.382129     -2.992401      1.735319
  C      -4.696942     -1.668520      1.444226
  C      -4.117908     -0.664156      2.200219
  F      -4.444695      0.614313      1.921675
  C      -3.169388     -0.932736      3.208439
  C      -2.611439      0.147816      4.024049
  O      -3.353051      1.067876      4.424491
  C      -1.131872      0.277210      4.360581
  C      -2.822428     -2.270737      3.433654
  C      -7.605196      5.243603      1.342822
  C      -6.181202      5.160109      1.825551
  O      -5.320974      4.546853      1.197193
  C      -5.823675      5.814477      3.124791
  C      -6.776688      6.187247      4.087264
  C      -6.374198      6.656719      5.336569
  C      -5.016388      6.733810      5.618505
  F      -4.642854      7.167961      6.846277
  C      -4.031560      6.408848      4.674133
  C      -2.569050      6.337324      4.931315
  O      -1.749160      6.490715      4.034932
  C      -2.083216      5.902755      6.309517
  C      -4.468592      5.981571      3.416793
  C      -8.707440     -3.411327      3.247995
  C      -7.742623     -2.672028      4.143830
  O      -6.983991     -3.280497      4.894052
  C      -7.720696     -1.171032      4.077228
  C      -8.504671     -0.444029      3.163485
  C      -8.429854      0.945674      3.113219
  C      -7.564111      1.603174      3.979357
  F      -7.520905      2.959575      3.914540
  C      -6.766393      0.926719      4.911838
  C      -5.786541      1.555734      5.860102
  O      -5.422112      0.918826      6.838810
  C      -5.213396      2.956464      5.574799
  C      -6.872157     -0.470439      4.939350
  H      -3.677169     -6.776652      2.921644
  H      -5.043439     -5.615263      2.739028
  H      -3.876760     -5.823341      1.416933
  H      -4.874178     -3.786340      1.174016
  H      -5.404742     -1.404024      0.658861
  H      -0.678728      0.710907      3.446604
  H      -0.647424     -0.701258      4.518691
  H      -2.105555     -2.537086      4.211280
  H      -7.948992      6.287871      1.303243
  H      -8.270640      4.711321      2.041148
  H      -7.683449      4.784742      0.351839
  H      -7.842395      6.088317      3.878905
  H      -7.096726      6.948720      6.098752
  H      -1.591834      6.761372      6.803848
  H      -2.906044      5.563866      6.940349
  H      -3.718264      5.724968      2.669160
  H      -9.742604     -3.083044      3.424791
  H      -8.625429     -4.486253      3.439233
  H      -8.483613     -3.209958      2.188466
  H      -9.180466     -0.959268      2.480781
  H      -9.034529      1.526966      2.416917
  H      -5.975829      3.690515      5.903141
  H      -5.111706      3.101885      4.490120
  H      -6.263415     -1.024582      5.654811
  N      -1.987057      3.380466      3.633728
  N      -2.289337      3.905894      2.470184
  H      -0.443288      5.100403      5.345036
  H      -3.269340      3.898877      2.171911
  H      -1.600951      3.817798      1.723403
91
Coordinates from ORCA-job orca E -6562.703082899100
  N      -0.971533      1.155079      5.476499
  Mo     -2.186180      2.822586      5.317917
  N      -3.935466      3.178159      6.235026
  C      -4.043569      3.312677      7.699370
  C      -3.027288      2.400350      8.378672
  N      -1.693129      2.618513      7.774037
  C      -0.784631      1.449791      7.897965
  C      -1.035045      0.460279      6.774899
  C      -1.049694      3.853245      8.276954
  C      -0.230728      4.500065      7.173365
  N      -1.107452      4.756718      5.999990
  H      -0.263284     -0.329977      6.814039
  H      -2.010694     -0.048868      6.921251
  H       0.246651      1.820111      7.814163
  H      -0.894499      0.972612      8.887024
  H       0.224578      5.438741      7.529644
  H       0.573439      3.831667      6.835247
  H      -1.834859      4.545410      8.609629
  H      -0.418706      3.640113      9.155997
  H      -5.048398      3.032389      8.043071
  H      -3.893540      4.365483      8.011968
  H      -3.322339      1.361884      8.181108
  H      -2.998220      2.559454      9.471920
  C      -3.767961     -6.010332      2.777775
  C      -2.994642     -4.840007      3.333086
  O      -2.063885     -4.994857      4.115550
  C      -3.413977     -3.453018      2.932845
  C      -4.385302     -3.202470      1.950822
  C      -4.761126     -1.897216      1.635140
  C      -4.193197     -0.846798      2.339939
  F      -4.567835      0.411383      2.027787
  C      -3.210969     -1.052653      3.330757
  C      -2.648110      0.065394      4.095445
  O      -3.380172      0.993633      4.494406
  C      -1.164867      0.208427      4.385254
  C      -2.816129     -2.371825      3.587931
  C      -7.835307      5.449458      1.554152
  C      -6.393794      5.322992      1.969713
  O      -5.576073      4.711496      1.284320
  C      -5.959162      5.943622      3.262155
  C      -6.850874      6.309781      4.284052
  C      -6.370485      6.741659      5.520054
  C      -4.997421      6.783964      5.729024
  F      -4.546612      7.175591      6.945091
  C      -4.073545      6.461027      4.724531
  C      -2.599859      6.350085      4.895653
  O      -1.830949      6.509811      3.956770
  C      -2.041332      5.892190      6.238688
  C      -4.588278      6.079030      3.484002
  C      -8.664925     -3.260734      2.834291
  C      -7.720543     -2.572131      3.790732
  O      -6.975879     -3.215939      4.522460
  C      -7.691240     -1.073598      3.810758
  C      -8.451459     -0.287327      2.927055
  C      -8.367186      1.101333      2.965847
  C      -7.513583      1.694631      3.888075
  F      -7.463061      3.051397      3.913015
  C      -6.739633      0.955828      4.792826
  C      -5.771309      1.523806      5.788807
  O      -5.424541      0.842519      6.744080
  C      -5.199437      2.931416      5.558470
  C      -6.857445     -0.437431      4.733208
  H      -3.381026     -6.939192      3.208840
  H      -4.837174     -5.906209      3.013160
  H      -3.679564     -6.052927      1.681256
  H      -4.855032     -4.029041      1.418476
  H      -5.497416     -1.682238      0.860610
  H      -0.731375      0.612858      3.448258
  H      -0.679633     -0.766605      4.563417
  H      -2.062197     -2.586760      4.347038
  H      -8.156920      6.501460      1.558010
  H      -8.480058      4.912068      2.266916
  H      -7.967667      5.019557      0.555854
  H      -7.927885      6.236434      4.131927
  H      -7.043884      7.029267      6.327584
  H      -1.506056      6.745833      6.694281
  H      -2.831259      5.578605      6.922717
  H      -3.885369      5.834734      2.689797
  H      -9.704768     -2.944459      3.006794
  H      -8.584425     -4.344611      2.966531
  H      -8.418615     -2.999741      1.793071
  H      -9.116051     -0.754437      2.200157
  H      -8.953886      1.730216      2.295944
  H      -5.971946      3.660721      5.874759
  H      -5.078371      3.083087      4.477989
  H      -6.266520     -1.040634      5.423610
  N      -2.029112      3.261663      3.587757
  N      -2.347412      3.728786      2.401781
  H      -0.528734      4.953062      5.174442
  H      -3.331214      3.686940      2.112947
  H      -1.662642      3.606205      1.655870
91
Coordinates from ORCA-job orca E -6562.703620152985
  N      -1.040999      1.150889      5.435843
  Mo     -2.273210      2.803215      5.369747
  N      -3.983942      3.125328      6.360282
  C      -4.033929      3.220728      7.825634
  C      -2.980441      2.304592      8.433345
  N      -1.677559      2.555904      7.777062
  C      -0.750574      1.399900      7.842111
  C      -1.039498      0.429747      6.716073
  C      -1.031290      3.786828      8.280907
  C      -0.262388      4.458249      7.160229
  N      -1.177551      4.723115      6.020236
  H      -0.258780     -0.352477      6.705292
  H      -2.002820     -0.092087      6.895403
  H       0.271354      1.785050      7.719866
  H      -0.811904      0.904390      8.826297
  H       0.200601      5.394889      7.511999
  H       0.533007      3.799405      6.785045
  H      -1.809756      4.462712      8.658563
  H      -0.363056      3.563955      9.129469
  H      -5.021404      2.920013      8.202776
  H      -3.881619      4.265893      8.160082
  H      -3.270896      1.267361      8.221775
  H      -2.904794      2.436472      9.527876
  C      -3.623759     -6.033440      2.712000
  C      -2.919699     -4.824362      3.277091
  O      -1.921558     -4.932802      3.980333
  C      -3.460571     -3.458172      2.955256
  C      -4.517509     -3.241949      2.057178
  C      -4.984431     -1.952372      1.801819
  C      -4.413146     -0.884245      2.478098
  F      -4.869010      0.357858      2.216132
  C      -3.350008     -1.055979      3.388195
  C      -2.770701      0.071984      4.127927
  O      -3.492196      0.984333      4.576793
  C      -1.277371      0.230038      4.338630
  C      -2.876248     -2.358582      3.591232
  C      -7.627854      5.806269      1.215641
  C      -6.238914      5.556665      1.739874
  O      -5.419946      4.891320      1.107842
  C      -5.860191      6.119088      3.075176
  C      -6.796357      6.501960      4.049890
  C      -6.375115      6.873949      5.326633
  C      -5.016983      6.849040      5.619926
  F      -4.624818      7.202757      6.867450
  C      -4.048291      6.514708      4.663003
  C      -2.588877      6.362397      4.904104
  O      -1.774784      6.534501      4.006460
  C      -2.089098      5.873559      6.260010
  C      -4.501711      6.182096      3.385249
  C      -8.464885     -3.340528      2.791637
  C      -7.535909     -2.645525      3.758212
  O      -6.727566     -3.276825      4.430473
  C      -7.612401     -1.154033      3.877145
  C      -8.456798     -0.369591      3.072271
  C      -8.467018      1.015809      3.201488
  C      -7.620148      1.607358      4.130813
  F      -7.670329      2.959204      4.249699
  C      -6.761740      0.869570      4.957518
  C      -5.785695      1.440223      5.945517
  O      -5.372113      0.740305      6.860079
  C      -5.262363      2.864935      5.727427
  C      -6.791677     -0.521745      4.813786
  H      -3.129118     -6.941186      3.071969
  H      -4.680139     -6.040888      3.015236
  H      -3.602716     -6.019671      1.611220
  H      -4.981183     -4.082201      1.540678
  H      -5.788318     -1.762822      1.090351
  H      -0.897007      0.655791      3.388210
  H      -0.773933     -0.742479      4.474666
  H      -2.054784     -2.546682      4.284332
  H      -7.863218      6.880859      1.216880
  H      -8.368044      5.313030      1.864190
  H      -7.714344      5.403562      0.201059
  H      -7.863931      6.485531      3.829374
  H      -7.083788      7.173530      6.098839
  H      -1.539540      6.706573      6.736016
  H      -2.902467      5.572177      6.921251
  H      -3.761636      5.930294      2.627677
  H      -9.517022     -3.108768      3.016498
  H      -8.306096     -4.422044      2.853768
  H      -8.274441     -3.001008      1.761486
  H      -9.114315     -0.835334      2.338094
  H      -9.121643      1.643239      2.596288
  H      -6.038975      3.569088      6.086227
  H      -5.183238      3.039209      4.645987
  H      -6.132826     -1.124672      5.439913
  N      -2.196409      3.273471      3.642632
  N      -2.563445      3.761538      2.481655
  H      -0.636253      4.969306      5.188019
  H      -3.558237      3.732715      2.230833
  H      -1.906596      3.669253      1.706845
91
Coordinates from ORCA-job orca E -6562.704085792009
  N      -1.023624      1.153658      5.455109
  Mo     -2.239723      2.814248      5.342465
  N      -3.977501      3.159560      6.275873
  C      -4.068660      3.272716      7.735789
  C      -3.048262      2.346031      8.382192
  N      -1.722946      2.573934      7.765411
  C      -0.811780      1.408570      7.867083
  C      -1.071553      0.437666      6.736387
  C      -1.076599      3.797644      8.283782
  C      -0.266358      4.451479      7.183411
  N      -1.148169      4.722597      6.022505
  H      -0.297778     -0.351454      6.754325
  H      -2.044713     -0.075371      6.885729
  H       0.217820      1.782342      7.777908
  H      -0.911365      0.918414      8.850883
  H       0.198547      5.383719      7.544019
  H       0.530214      3.780802      6.831806
  H      -1.857550      4.486139      8.634582
  H      -0.437296      3.569890      9.153143
  H      -5.071411      2.988914      8.086495
  H      -3.912195      4.319326      8.063832
  H      -3.346673      1.311268      8.170154
  H      -3.004465      2.486471      9.477465
  C      -3.704545     -5.983473      2.672689
  C      -2.961751     -4.802160      3.243673
  O      -2.001328     -4.944394      3.992198
  C      -3.438193     -3.421748      2.890385
  C      -4.449657     -3.180553      1.948235
  C      -4.870087     -1.880881      1.670265
  C      -4.302242     -0.827748      2.370916
  F      -4.719621      0.424340      2.094540
  C      -3.282514     -1.024106      3.324200
  C      -2.716165      0.091909      4.090044
  O      -3.443776      1.010863      4.512660
  C      -1.229895      0.233344      4.353170
  C      -2.847929     -2.337094      3.545439
  C      -7.670228      5.717179      1.318504
  C      -6.266689      5.498205      1.817426
  O      -5.449621      4.838370      1.176145
  C      -5.872514      6.071673      3.143473
  C      -6.795126      6.422878      4.143054
  C      -6.353139      6.795865      5.411844
  C      -4.988383      6.801547      5.673865
  F      -4.577460      7.141919      6.918858
  C      -4.032868      6.500516      4.692258
  C      -2.565835      6.370737      4.906216
  O      -1.765499      6.551260      3.997367
  C      -2.049853      5.878750      6.254644
  C      -4.508493      6.170688      3.421487
  C      -8.532123     -3.396587      2.961385
  C      -7.602962     -2.672183      3.905752
  O      -6.809758     -3.286044      4.612377
  C      -7.649333     -1.173690      3.943054
  C      -8.467071     -0.418629      3.084273
  C      -8.450316      0.972257      3.134857
  C      -7.603411      1.599090      4.041079
  F      -7.623251      2.956842      4.079166
  C      -6.771417      0.891751      4.919834
  C      -5.797750      1.495666      5.890266
  O      -5.418766      0.837725      6.849544
  C      -5.243996      2.900892      5.619493
  C      -6.827652     -0.505094      4.853851
  H      -3.267482     -6.908585      3.061844
  H      -4.770912     -5.932245      2.941508
  H      -3.646774     -5.986699      1.573130
  H      -4.917161     -4.010473      1.418403
  H      -5.640706     -1.672555      0.928088
  H      -0.811524      0.653474      3.416567
  H      -0.742041     -0.744512      4.507121
  H      -2.064804     -2.545762      4.276051
  H      -7.928152      6.786545      1.320182
  H      -8.387089      5.211471      1.983882
  H      -7.768625      5.308132      0.307500
  H      -7.866965      6.378839      3.949577
  H      -7.050862      7.068364      6.203797
  H      -1.490257      6.708708      6.722836
  H      -2.857819      5.582032      6.925234
  H      -3.779457      5.944895      2.646031
  H      -9.582182     -3.136914      3.163031
  H      -8.392553     -4.476462      3.076207
  H      -8.324808     -3.109338      1.918391
  H      -9.123688     -0.912330      2.367740
  H      -9.083403      1.577055      2.485430
  H      -6.015269      3.628705      5.940232
  H      -5.141580      3.037148      4.533904
  H      -6.190462     -1.084646      5.522861
  N      -2.100251      3.266616      3.615692
  N      -2.419925      3.725259      2.427739
  H      -0.544226      5.070056      5.255293
  H      -3.403160      3.712040      2.132312
  H      -1.727503      3.627994      1.684690
91
Coordinates from ORCA-job orca E -6562.701664457181
  N      -0.998371      1.196967      5.495251
  Mo     -2.186688      2.874595      5.355848
  N      -3.934805      3.254625      6.256774
  C      -4.048945      3.370744      7.716025
  C      -3.055678      2.427207      8.381984
  N      -1.716727      2.635405      7.787255
  C      -0.824064      1.456114      7.910420
  C      -1.079268      0.483882      6.777727
  C      -1.067685      3.857561      8.314333
  C      -0.230626      4.504655      7.227265
  N      -1.091766      4.769283      6.046928
  H      -0.317464     -0.316538      6.811602
  H      -2.061933     -0.015893      6.911697
  H       0.212416      1.813566      7.837498
  H      -0.947431      0.972404      8.894845
  H       0.229242      5.437494      7.592983
  H       0.571619      3.831152      6.893928
  H      -1.851788      4.553629      8.643345
  H      -0.450273      3.630033      9.199473
  H      -5.062179      3.104998      8.050311
  H      -3.879782      4.415338      8.046328
  H      -3.366558      1.396917      8.166558
  H      -3.027973      2.568932      9.477820
  C      -3.831113     -5.845299      2.566754
  C      -3.043651     -4.708565      3.163569
  O      -2.104727     -4.900342      3.928591
  C      -3.471079     -3.310096      2.829848
  C      -4.465978     -3.028854      1.882058
  C      -4.848889     -1.716064      1.619329
  C      -4.261778     -0.690345      2.341969
  F      -4.648484      0.575972      2.085795
  C      -3.256744     -0.926514      3.301756
  C      -2.679396      0.167649      4.087473
  O      -3.399119      1.096479      4.502197
  C      -1.195811      0.281648      4.384645
  C      -2.856650     -2.253115      3.506649
  C      -7.679434      4.930653      1.523452
  C      -6.251115      4.863717      1.993112
  O      -5.404169      4.201354      1.394556
  C      -5.865970      5.603227      3.236490
  C      -6.789347      5.983240      4.224935
  C      -6.348491      6.510813      5.437820
  C      -4.983033      6.638860      5.657838
  F      -4.568239      7.112286      6.857190
  C      -4.030005      6.316462      4.681216
  C      -2.556566      6.295960      4.879733
  O      -1.773882      6.441771      3.949211
  C      -2.017954      5.908197      6.251374
  C      -4.506057      5.831306      3.459544
  C      -8.607842     -3.197666      2.907026
  C      -7.677288     -2.495201      3.866317
  O      -6.902944     -3.129996      4.576672
  C      -7.692337     -0.994119      3.901142
  C      -8.483096     -0.225169      3.029182
  C      -8.435663      1.165868      3.071405
  C      -7.585958      1.780328      3.983599
  F      -7.567750      3.138960      4.005618
  C      -6.781812      1.059552      4.877092
  C      -5.802263      1.645653      5.852444
  O      -5.452273      0.982320      6.818521
  C      -5.202902      3.035016      5.583743
  C      -6.867012     -0.336953      4.817962
  H      -3.441697     -6.795253      2.946713
  H      -4.899208     -5.746404      2.824745
  H      -3.759023     -5.833410      1.468111
  H      -4.951639     -3.838679      1.337684
  H      -5.608098     -1.476550      0.874943
  H      -0.751436      0.700531      3.459607
  H      -0.725758     -0.704400      4.541978
  H      -2.088985     -2.494622      4.242994
  H      -8.014160      5.974124      1.427803
  H      -8.339630      4.447158      2.261459
  H      -7.776216      4.413662      0.563084
  H      -7.859029      5.840700      4.069043
  H      -7.046455      6.804779      6.221864
  H      -1.487289      6.775002      6.686145
  H      -2.819632      5.611640      6.930531
  H      -3.777943      5.576662      2.690840
  H      -9.654871     -2.917016      3.094882
  H      -8.491947     -4.280559      3.020024
  H      -8.380163     -2.911742      1.867817
  H      -9.140779     -0.708369      2.306495
  H      -9.045719      1.780350      2.409231
  H      -5.957307      3.781891      5.901300
  H      -5.088807      3.174302      4.499400
  H      -6.249862     -0.926128      5.497347
  N      -2.003749      3.317280      3.629467
  N      -2.293382      3.776019      2.431899
  H      -0.501540      5.022141      5.206247
  H      -3.268624      3.764525      2.113717
  H      -1.586409      3.665565      1.704714
91
Coordinates from ORCA-job orca E -6562.704448196046
  N      -1.023126      1.183989      5.458360
  Mo     -2.254434      2.834279      5.388272
  N      -3.975614      3.161816      6.358810
  C      -4.036547      3.258601      7.824513
  C      -2.997491      2.330189      8.438642
  N      -1.688609      2.577922      7.793381
  C      -0.766149      1.417076      7.868982
  C      -1.041693      0.452435      6.732988
  C      -1.050551      3.806549      8.317198
  C      -0.262501      4.483229      7.214517
  N      -1.160069      4.747705      6.057897
  H      -0.262145     -0.331377      6.728689
  H      -2.008044     -0.070195      6.895595
  H       0.258967      1.798406      7.763525
  H      -0.843650      0.919092      8.850859
  H       0.191289      5.419863      7.578316
  H       0.541723      3.828791      6.849955
  H      -1.837763      4.480843      8.680538
  H      -0.400192      3.579927      9.178645
  H      -5.028943      2.967178      8.195244
  H      -3.876257      4.302658      8.160893
  H      -3.293525      1.296295      8.221294
  H      -2.928615      2.458201      9.534410
  C      -3.697755     -5.918365      2.556099
  C      -2.950552     -4.747647      3.142126
  O      -1.965326     -4.901547      3.855563
  C      -3.457713     -3.364796      2.849737
  C      -4.506799     -3.112557      1.952711
  C      -4.954408     -1.812310      1.726822
  C      -4.373999     -0.770820      2.433751
  F      -4.817236      0.482645      2.206148
  C      -3.316191     -0.977776      3.342951
  C      -2.735757      0.128106      4.111232
  O      -3.458682      1.034927      4.569322
  C      -1.244332      0.279175      4.343061
  C      -2.857528     -2.290832      3.513146
  C      -7.519607      5.554633      1.139015
  C      -6.144823      5.332350      1.709635
  O      -5.303343      4.652823      1.123217
  C      -5.805774      5.943178      3.033692
  C      -6.771271      6.314434      3.984154
  C      -6.385389      6.725055      5.260091
  C      -5.033252      6.750442      5.578033
  F      -4.676626      7.130994      6.828193
  C      -4.036355      6.432028      4.644488
  C      -2.577993      6.335947      4.915348
  O      -1.751253      6.511423      4.029747
  C      -2.092874      5.882881      6.288409
  C      -4.454690      6.061230      3.363654
  C      -8.548722     -3.339558      2.948443
  C      -7.606084     -2.638322      3.896857
  O      -6.789931     -3.268438      4.562070
  C      -7.671054     -1.142801      3.990913
  C      -8.521251     -0.368167      3.182304
  C      -8.519232      1.020522      3.281429
  C      -7.653790      1.626092      4.184416
  F      -7.681416      2.981552      4.268311
  C      -6.790083      0.899130      5.013510
  C      -5.793406      1.482606      5.971568
  O      -5.391908      0.802329      6.905497
  C      -5.256831      2.901671      5.724777
  C      -6.831588     -0.495389      4.901156
  H      -3.236707     -6.850495      2.898156
  H      -4.755382     -5.890418      2.861374
  H      -3.675908     -5.882632      1.455868
  H      -4.983247     -3.934337      1.418568
  H      -5.755777     -1.594863      1.020630
  H      -0.851547      0.721503      3.405468
  H      -0.742833     -0.696085      4.466817
  H      -2.045650     -2.509415      4.208122
  H      -7.762996      6.626864      1.105114
  H      -8.274921      5.073547      1.780277
  H      -7.575123      5.122915      0.134345
  H      -7.833841      6.257832      3.746199
  H      -7.117512      7.013570      6.014457
  H      -1.563606      6.729236      6.764107
  H      -2.911599      5.573142      6.940070
  H      -3.691450      5.819360      2.624996
  H      -9.597006     -3.100970      3.183105
  H      -8.393535     -4.421050      3.019983
  H      -8.368856     -3.011680      1.912507
  H      -9.192214     -0.844520      2.467341
  H      -9.177458      1.639636      2.671754
  H      -6.029660      3.614111      6.076316
  H      -5.180385      3.062694      4.641031
  H      -6.168963     -1.089613      5.531706
  N      -2.154673      3.291895      3.657797
  N      -2.497203      3.750645      2.476254
  H      -0.561980      4.942090      5.234451
  H      -3.485846      3.732373      2.202910
  H      -1.818260      3.659608      1.721267
91
Coordinates from ORCA-job orca E -6562.702282431461
  N      -1.031854      1.133691      5.451417
  Mo     -2.242946      2.800545      5.329817
  N      -3.987810      3.150674      6.256473
  C      -4.084034      3.264323      7.720217
  C      -3.066525      2.338008      8.375651
  N      -1.736035      2.562880      7.762195
  C      -0.825361      1.395802      7.870216
  C      -1.081846      0.421533      6.738825
  C      -1.086120      3.789614      8.274474
  C      -0.269228      4.432548      7.170080
  N      -1.142967      4.705870      6.002985
  H      -0.309032     -0.368216      6.761211
  H      -2.055459     -0.090318      6.888007
  H       0.204886      1.768671      7.783512
  H      -0.929144      0.909031      8.854961
  H       0.203467      5.363428      7.523867
  H       0.522297      3.752037      6.826268
  H      -1.863927      4.483805      8.619433
  H      -0.449566      3.563828      9.146254
  H      -5.089128      2.984009      8.067560
  H      -3.927182      4.310639      8.046885
  H      -3.365719      1.303580      8.163696
  H      -3.026159      2.480035      9.470811
  C      -3.668047     -6.040937      2.750101
  C      -2.934282     -4.840291      3.293478
  O      -1.974525     -4.960012      4.046675
  C      -3.423421     -3.468743      2.919249
  C      -4.440319     -3.247083      1.977774
  C      -4.874239     -1.953759      1.688051
  C      -4.315910     -0.887405      2.377549
  F      -4.749499      0.356673      2.091295
  C      -3.289285     -1.063898      3.327944
  C      -2.728367      0.060466      4.086553
  O      -3.458024      0.984649      4.500778
  C      -1.238898      0.203576      4.353307
  C      -2.840521     -2.370878      3.558493
  C      -7.758786      5.799465      1.403179
  C      -6.368050      5.514013      1.904246
  O      -5.603590      4.766306      1.294833
  C      -5.922590      6.127301      3.195305
  C      -6.808032      6.563652      4.194695
  C      -6.323646      6.969738      5.437293
  C      -4.954571      6.926771      5.673092
  F      -4.505616      7.302507      6.894348
  C      -4.033037      6.544328      4.686921
  C      -2.566366      6.370431      4.871818
  O      -1.790452      6.482444      3.931009
  C      -2.016678      5.891212      6.215445
  C      -4.550474      6.177482      3.443312
  C      -8.491630     -3.402372      2.896827
  C      -7.577209     -2.675469      3.853539
  O      -6.791912     -3.285850      4.571286
  C      -7.633711     -1.178595      3.898106
  C      -8.444335     -0.423405      3.032963
  C      -8.431476      0.967121      3.087975
  C      -7.595504      1.592576      4.005056
  F      -7.612330      2.950005      4.043505
  C      -6.772553      0.884818      4.891337
  C      -5.809870      1.489551      5.871607
  O      -5.444902      0.837114      6.840221
  C      -5.252740      2.890974      5.595638
  C      -6.823909     -0.511484      4.820390
  H      -3.220822     -6.953118      3.157730
  H      -4.732906     -5.995320      3.021822
  H      -3.614740     -6.067991      1.650594
  H      -4.904395     -4.087180      1.461110
  H      -5.651627     -1.760824      0.948607
  H      -0.817029      0.615160      3.414695
  H      -0.752617     -0.773367      4.516822
  H      -2.056074     -2.565167      4.291553
  H      -7.946197      6.882225      1.353795
  H      -8.501302      5.375870      2.096752
  H      -7.893159      5.348102      0.414604
  H      -7.884402      6.560919      4.022994
  H      -6.992084      7.306791      6.229656
  H      -1.418651      6.719971      6.635663
  H      -2.806356      5.636265      6.923495
  H      -3.848612      5.882817      2.666668
  H      -9.545439     -3.147746      3.085564
  H      -8.348615     -4.481783      3.011556
  H      -8.272177     -3.112157      1.857247
  H      -9.091099     -0.916458      2.307130
  H      -9.058878      1.572459      2.433525
  H      -6.023017      3.623198      5.907730
  H      -5.144944      3.017997      4.509032
  H      -6.193047     -1.091737      5.494782
  N      -2.074693      3.264031      3.608042
  N      -2.331178      3.737829      2.418062
  H      -0.604768      5.039111      5.209704
  H      -3.300009      3.760726      2.076514
  H      -1.605363      3.635625      1.708654
91
Coordinates from ORCA-job orca E -6562.705407382184
  N      -1.024878      1.158425      5.458124
  Mo     -2.240533      2.820649      5.354424
  N      -3.970116      3.178512      6.302504
  C      -4.042265      3.293555      7.767154
  C      -3.017316      2.363650      8.405366
  N      -1.697640      2.587342      7.769233
  C      -0.787284      1.419163      7.868801
  C      -1.060298      0.443523      6.742628
  C      -1.044181      3.816034      8.274830
  C      -0.242742      4.467519      7.163791
  N      -1.135573      4.731175      6.006497
  H      -0.287520     -0.346618      6.754964
  H      -2.032394     -0.068192      6.903505
  H       0.242377      1.789806      7.768474
  H      -0.879444      0.934760      8.855944
  H       0.222109      5.402967      7.516254
  H       0.553454      3.798273      6.808781
  H      -1.822711      4.506071      8.626580
  H      -0.398887      3.593250      9.140940
  H      -5.042083      3.019663      8.132487
  H      -3.872734      4.339859      8.089918
  H      -3.321971      1.329790      8.199409
  H      -2.957544      2.506478      9.499626
  C      -3.688071     -5.994075      2.703824
  C      -2.948418     -4.805137      3.263302
  O      -1.963213     -4.937914      3.980875
  C      -3.450364     -3.429757      2.926134
  C      -4.492808     -3.199065      2.015450
  C      -4.937823     -1.904063      1.754512
  C      -4.362633     -0.845398      2.440786
  F      -4.804514      0.401569      2.179615
  C      -3.310445     -1.030525      3.361347
  C      -2.734064      0.089683      4.112238
  O      -3.456672      1.009772      4.544726
  C      -1.242849      0.235674      4.356505
  C      -2.853741     -2.339460      3.565568
  C      -7.676229      5.614261      1.308182
  C      -6.279290      5.390557      1.821520
  O      -5.459605      4.720355      1.194270
  C      -5.891453      5.978550      3.142207
  C      -6.818567      6.320056      4.140770
  C      -6.381145      6.706355      5.407241
  C      -5.016567      6.736161      5.667681
  F      -4.610498      7.088300      6.910813
  C      -4.057730      6.446288      4.686048
  C      -2.589177      6.346004      4.896035
  O      -1.797677      6.534825      3.980756
  C      -2.049254      5.881463      6.245777
  C      -4.529001      6.101817      3.417147
  C      -8.509467     -3.297585      2.835076
  C      -7.588536     -2.596010      3.804411
  O      -6.803274     -3.226851      4.504840
  C      -7.644656     -1.100083      3.886752
  C      -8.463171     -0.324176      3.047491
  C      -8.451233      1.064924      3.136430
  C      -7.607390      1.669262      4.060438
  F      -7.623576      3.025549      4.131595
  C      -6.776957      0.940438      4.922085
  C      -5.804781      1.522108      5.906534
  O      -5.428137      0.843631      6.852234
  C      -5.245915      2.929472      5.656083
  C      -6.827476     -0.454148      4.817954
  H      -3.223409     -6.914938      3.070488
  H      -4.745830     -5.964102      3.006581
  H      -3.664864     -5.986426      1.603027
  H      -4.967206     -4.033621      1.499427
  H      -5.734842     -1.703740      1.038349
  H      -0.837248      0.657820      3.415405
  H      -0.749753     -0.740386      4.504009
  H      -2.048577     -2.541548      4.273361
  H      -7.927266      6.685234      1.303476
  H      -8.403104      5.116836      1.969385
  H      -7.768283      5.200030      0.298822
  H      -7.889868      6.258532      3.947889
  H      -7.082311      6.970697      6.198927
  H      -1.491672      6.724244      6.694099
  H      -2.843741      5.584294      6.932439
  H      -3.796432      5.882462      2.642687
  H      -9.561723     -3.045947      3.035990
  H      -8.367698     -4.379762      2.922172
  H      -8.295389     -2.982198      1.801746
  H      -9.116445     -0.799827      2.315893
  H      -9.085162      1.685261      2.502669
  H      -6.012554      3.656439      5.990169
  H      -5.151720      3.077923      4.571444
  H      -6.190569     -1.049883      5.472998
  N      -2.104480      3.256707      3.621684
  N      -2.395091      3.698694      2.424341
  H      -0.545188      5.002711      5.201877
  H      -3.372229      3.705934      2.109412
  H      -1.683696      3.605337      1.699858
91
Coordinates from ORCA-job orca E -6562.703519748592
  N      -1.027904      1.222756      5.453437
  Mo     -2.260444      2.872287      5.410176
  N      -3.982135      3.186516      6.385812
  C      -4.039004      3.261420      7.852344
  C      -2.997801      2.324947      8.449821
  N      -1.690509      2.584662      7.804905
  C      -0.762911      1.427012      7.865691
  C      -1.036537      0.475116      6.718538
  C      -1.057819      3.810562      8.343448
  C      -0.269542      4.502616      7.250658
  N      -1.163257      4.772539      6.092985
  H      -0.252529     -0.304012      6.701507
  H      -1.998956     -0.055477      6.878262
  H       0.260372      1.814042      7.763065
  H      -0.837074      0.917788      8.841944
  H       0.179813      5.437278      7.624762
  H       0.538505      3.854855      6.882528
  H      -1.849138      4.477248      8.711975
  H      -0.408826      3.577108      9.203901
  H      -5.030517      2.964683      8.221189
  H      -3.878130      4.300440      8.203937
  H      -3.292171      1.293759      8.217215
  H      -2.925492      2.436699      9.546947
  C      -3.730652     -5.833763      2.458858
  C      -2.964606     -4.676859      3.046900
  O      -1.987086     -4.847345      3.767289
  C      -3.466279     -3.288517      2.775505
  C      -4.515433     -3.021007      1.883217
  C      -4.961201     -1.717235      1.678235
  C      -4.381259     -0.688478      2.403362
  F      -4.824740      0.568144      2.197253
  C      -3.322925     -0.910476      3.308499
  C      -2.743120      0.182752      4.093928
  O      -3.467259      1.083422      4.561435
  C      -1.250922      0.332076      4.327682
  C      -2.864018     -2.226393      3.455557
  C      -7.388595      5.230855      1.095123
  C      -6.024297      5.076701      1.710501
  O      -5.146351      4.398006      1.178217
  C      -5.736402      5.761109      3.009783
  C      -6.732591      6.125110      3.930985
  C      -6.384759      6.596417      5.196841
  C      -5.040238      6.688239      5.534707
  F      -4.720220      7.120063      6.778010
  C      -4.015998      6.382320      4.627432
  C      -2.560767      6.345738      4.923798
  O      -1.724861      6.516188      4.045087
  C      -2.087955      5.915270      6.307380
  C      -4.397742      5.951339      3.354209
  C      -8.626342     -3.301612      3.028363
  C      -7.673603     -2.605207      3.970272
  O      -6.846604     -3.239278      4.618574
  C      -7.724949     -1.108185      4.056933
  C      -8.578717     -0.331471      3.254099
  C      -8.562442      1.058006      3.342403
  C      -7.679796      1.662641      4.229275
  F      -7.693470      3.019354      4.301294
  C      -6.813355      0.933491      5.054195
  C      -5.803143      1.512767      6.001506
  O      -5.403670      0.833901      6.937223
  C      -5.265929      2.931747      5.755939
  C      -6.868058     -0.461522      4.951717
  H      -3.278634     -6.774042      2.790550
  H      -4.785732     -5.793835      2.774481
  H      -3.718092     -5.789917      1.358909
  H      -4.993564     -3.833757      1.336882
  H      -5.762070     -1.487319      0.975513
  H      -0.859716      0.787815      3.396134
  H      -0.747568     -0.643710      4.437639
  H      -2.052639     -2.457853      4.146856
  H      -7.665829      6.292145      1.013186
  H      -8.145064      4.750143      1.735858
  H      -7.403626      4.757916      0.107702
  H      -7.787696      6.013031      3.680192
  H      -7.140422      6.877583      5.930504
  H      -1.557801      6.764948      6.775374
  H      -2.911336      5.613963      6.956838
  H      -3.612238      5.715085      2.637991
  H      -9.671528     -3.060062      3.272834
  H      -8.473942     -4.383716      3.096472
  H      -8.454768     -2.972420      1.991270
  H      -9.262979     -0.806859      2.551200
  H      -9.223102      1.678382      2.736622
  H      -6.036127      3.642266      6.117017
  H      -5.195702      3.100060      4.672809
  H      -6.204423     -1.057374      5.579567
  N      -2.150303      3.354567      3.686520
  N      -2.455226      3.826746      2.503137
  H      -0.590295      4.983879      5.253573
  H      -3.436458      3.852446      2.204466
  H      -1.753656      3.751992      1.767381
91
Coordinates from ORCA-job orca E -6562.706040820396
  N      -1.025236      1.177182      5.461643
  Mo     -2.243883      2.838091      5.367735
  N      -3.974325      3.190266      6.316643
  C      -4.048786      3.292663      7.781821
  C      -3.022290      2.359657      8.412121
  N      -1.702987      2.592942      7.779106
  C      -0.788525      1.427080      7.873720
  C      -1.057738      0.455496      6.742368
  C      -1.057569      3.821438      8.295215
  C      -0.251508      4.480608      7.192541
  N      -1.135708      4.745098      6.027434
  H      -0.281611     -0.331494      6.750705
  H      -2.027626     -0.061390      6.900670
  H       0.239941      1.801663      7.776015
  H      -0.879897      0.937845      8.858599
  H       0.207952      5.415950      7.552196
  H       0.549569      3.815237      6.841146
  H      -1.841095      4.506882      8.645110
  H      -0.417273      3.596551      9.164423
  H      -5.048097      3.012310      8.143407
  H      -3.882729      4.336542      8.114627
  H      -3.323390      1.326670      8.196159
  H      -2.963627      2.492697      9.507630
  C      -3.695254     -5.947932      2.626935
  C      -2.947111     -4.768548      3.194851
  O      -1.969348     -4.913164      3.920353
  C      -3.447900     -3.388627      2.876796
  C      -4.489308     -3.145812      1.968088
  C      -4.932436     -1.847441      1.722486
  C      -4.357511     -0.798147      2.422821
  F      -4.798044      0.452301      2.176677
  C      -3.307338     -0.995512      3.343255
  C      -2.731571      0.116233      4.106164
  O      -3.455330      1.031951      4.545855
  C      -1.240809      0.261661      4.353353
  C      -2.851432     -2.307192      3.531232
  C      -7.623322      5.425247      1.307182
  C      -6.226261      5.244150      1.835639
  O      -5.390769      4.567561      1.236224
  C      -5.854468      5.890800      3.133027
  C      -6.791964      6.250844      4.115109
  C      -6.367108      6.686125      5.369887
  C      -5.004678      6.742665      5.636529
  F      -4.610543      7.138854      6.870279
  C      -4.036360      6.435765      4.669453
  C      -2.568316      6.354918      4.892612
  O      -1.770112      6.530007      3.980578
  C      -2.042218      5.903314      6.251316
  C      -4.495433      6.046277      3.409158
  C      -8.558159     -3.282993      2.881042
  C      -7.630747     -2.583579      3.845830
  O      -6.835316     -3.215992      4.533389
  C      -7.677766     -1.086733      3.922528
  C      -8.498838     -0.309946      3.086614
  C      -8.477848      1.079540      3.168624
  C      -7.622750      1.683465      4.082507
  F      -7.631051      3.040430      4.146241
  C      -6.789600      0.953779      4.941200
  C      -5.806752      1.532806      5.917354
  O      -5.434666      0.857536      6.867068
  C      -5.249699      2.941581      5.669006
  C      -6.849131     -0.441029      4.843859
  H      -3.236440     -6.874838      2.985726
  H      -4.752921     -5.913234      2.930651
  H      -3.672423     -5.931167      1.526291
  H      -4.963398     -3.973396      1.440765
  H      -5.727405     -1.637307      1.006922
  H      -0.834612      0.691762      3.416125
  H      -0.746293     -0.714815      4.493622
  H      -2.046455     -2.519012      4.236471
  H      -7.893713      6.490675      1.266471
  H      -8.344889      4.936313      1.980705
  H      -7.702056      4.976255      0.311609
  H      -7.861055      6.165048      3.919765
  H      -7.076381      6.965300      6.149182
  H      -1.483345      6.745598      6.698508
  H      -2.844950      5.616112      6.931913
  H      -3.754845      5.813045      2.646479
  H      -9.608929     -3.030855      3.088682
  H      -8.416711     -4.365399      2.965751
  H      -8.350239     -2.966497      1.846735
  H      -9.161024     -0.785362      2.362916
  H      -9.113381      1.700518      2.537060
  H      -6.017680      3.666182      6.005335
  H      -5.155783      3.093939      4.585130
  H      -6.210695     -1.037617      5.496622
  N      -2.104561      3.280206      3.636943
  N      -2.387150      3.721240      2.437013
  H      -0.546489      4.988999      5.223293
  H      -3.363508      3.735865      2.118203
  H      -1.671866      3.622555      1.717064
91
Coordinates from ORCA-job orca E -6562.706000393676
  N      -1.052103      1.184367      5.463658
  Mo     -2.263238      2.849280      5.375826
  N      -3.985480      3.220366      6.329573
  C      -4.051722      3.324195      7.793219
  C      -3.030310      2.381748      8.415918
  N      -1.712632      2.603590      7.775405
  C      -0.807561      1.430729      7.870815
  C      -1.087281      0.461146      6.741562
  C      -1.055034      3.825769      8.289149
  C      -0.243703      4.472829      7.183858
  N      -1.126793      4.745338      6.020249
  H      -0.316872     -0.331492      6.747077
  H      -2.060625     -0.048329      6.902450
  H       0.223880      1.796468      7.770879
  H      -0.901613      0.943905      8.856619
  H       0.227216      5.403389      7.540856
  H       0.548822      3.797549      6.831963
  H      -1.831036      4.520292      8.638197
  H      -0.416559      3.595241      9.158158
  H      -5.051552      3.052957      8.160576
  H      -3.873937      4.366493      8.125070
  H      -3.341516      1.351436      8.201179
  H      -2.964064      2.513758      9.511120
  C      -3.724335     -5.919635      2.588163
  C      -2.984973     -4.741531      3.170919
  O      -1.996102     -4.888006      3.880817
  C      -3.494705     -3.360474      2.870939
  C      -4.546414     -3.112455      1.975328
  C      -4.993619     -1.812721      1.744011
  C      -4.411308     -0.767381      2.444524
  F      -4.853859      0.484383      2.209579
  C      -3.352502     -0.970216      3.353980
  C      -2.767509      0.137088      4.116789
  O      -3.483741      1.053126      4.567622
  C      -1.275607      0.275476      4.353392
  C      -2.893697     -2.282847      3.527638
  C      -7.589141      5.281306      1.335230
  C      -6.186593      5.152744      1.863540
  O      -5.335234      4.480902      1.280163
  C      -5.829816      5.837365      3.145449
  C      -6.772992      6.190444      4.124590
  C      -6.354436      6.648637      5.373321
  C      -4.992823      6.731231      5.638506
  F      -4.605125      7.141351      6.869674
  C      -4.020070      6.433067      4.672903
  C      -2.550462      6.366518      4.894013
  O      -1.754555      6.555608      3.982820
  C      -2.019238      5.912840      6.249692
  C      -4.474477      6.027004      3.416515
  C      -8.471921     -3.274563      2.855333
  C      -7.567459     -2.564510      3.834163
  O      -6.782848     -3.188247      4.541549
  C      -7.633286     -1.068687      3.911570
  C      -8.450897     -0.300622      3.064446
  C      -8.449056      1.088752      3.150037
  C      -7.615217      1.701208      4.077798
  F      -7.642881      3.058021      4.144613
  C      -6.785605      0.980155      4.947253
  C      -5.822451      1.568503      5.937554
  O      -5.441560      0.889603      6.881150
  C      -5.262233      2.974734      5.686289
  C      -6.826741     -0.414893      4.846537
  H      -3.251551     -6.847291      2.926271
  H      -4.779312     -5.903450      2.901284
  H      -3.711398     -5.882847      1.487853
  H      -5.024590     -3.936663      1.446492
  H      -5.796355     -1.598394      1.038388
  H      -0.872554      0.707393      3.415701
  H      -0.784866     -0.703883      4.487659
  H      -2.079887     -2.498583      4.221666
  H      -7.891585      6.337032      1.274028
  H      -8.293350      4.784739      2.021294
  H      -7.657282      4.809407      0.349498
  H      -7.840251      6.078069      3.933536
  H      -7.067762      6.921475      6.151175
  H      -1.447812      6.750430      6.689242
  H      -2.818039      5.633901      6.937948
  H      -3.729816      5.802012      2.655766
  H      -9.528487     -3.032207      3.044618
  H      -8.321563     -4.355383      2.944707
  H      -8.249439     -2.958179      1.824016
  H      -9.095962     -0.782982      2.330000
  H      -9.083036      1.703024      2.510367
  H      -6.027550      3.701517      6.023676
  H      -5.169936      3.125753      4.602088
  H      -6.190982     -1.005128      5.507652
  N      -2.134362      3.266534      3.638363
  N      -2.423748      3.673279      2.427562
  H      -0.525763      5.011175      5.221177
  H      -3.401315      3.679278      2.110035
  H      -1.705147      3.580929      1.710266
91
Coordinates from ORCA-job orca E -6562.706280040338
  N      -1.061794      1.203513      5.456692
  Mo     -2.272955      2.871526      5.385377
  N      -3.996028      3.230382      6.347291
  C      -4.053919      3.326259      7.814026
  C      -3.030353      2.379415      8.429336
  N      -1.713464      2.603131      7.784776
  C      -0.808930      1.428348      7.867882
  C      -1.091817      0.468605      6.729808
  C      -1.052589      3.822507      8.304813
  C      -0.244026      4.479465      7.202767
  N      -1.128803      4.761355      6.041370
  H      -0.321094     -0.323640      6.725929
  H      -2.064323     -0.042738      6.889411
  H       0.222525      1.794294      7.768954
  H      -0.901597      0.933432      8.849645
  H       0.227178      5.407363      7.566250
  H       0.548292      3.807464      6.844289
  H      -1.827314      4.514332      8.661180
  H      -0.411602      3.585406      9.170221
  H      -5.052240      3.055386      8.185299
  H      -3.872890      4.366738      8.149515
  H      -3.343451      1.350848      8.210103
  H      -2.959348      2.505223      9.525009
  C      -3.746988     -5.883579      2.533749
  C      -3.006854     -4.712535      3.129372
  O      -2.018553     -4.866882      3.838365
  C      -3.506764     -3.327929      2.829916
  C      -4.550526     -3.072096      1.927328
  C      -4.992632     -1.770028      1.699942
  C      -4.413996     -0.730368      2.411806
  F      -4.851239      0.523764      2.179827
  C      -3.360923     -0.940850      3.326324
  C      -2.778444      0.161100      4.098986
  O      -3.497806      1.073319      4.553252
  C      -1.285553      0.301145      4.339295
  C      -2.906248     -2.255550      3.495471
  C      -7.513884      5.174019      1.294378
  C      -6.113803      5.086642      1.836658
  O      -5.246091      4.412453      1.280367
  C      -5.788786      5.788359      3.117498
  C      -6.753071      6.131790      4.079337
  C      -6.361614      6.605052      5.331054
  C      -5.005921      6.711429      5.617499
  F      -4.645947      7.136055      6.851921
  C      -4.013088      6.424249      4.669201
  C      -2.546536      6.378874      4.910829
  O      -1.742735      6.569332      4.006518
  C      -2.020478      5.930345      6.270996
  C      -4.441567      6.003352      3.408359
  C      -8.507939     -3.289312      2.929073
  C      -7.587435     -2.574288      3.889110
  O      -6.811587     -3.196518      4.607480
  C      -7.649506     -1.077708      3.956715
  C      -8.468748     -0.313434      3.107723
  C      -8.461074      1.076615      3.181992
  C      -7.621970      1.693520      4.102022
  F      -7.641096      3.051100      4.155880
  C      -6.792632      0.976673      4.974454
  C      -5.827156      1.569088      5.959861
  O      -5.438043      0.889525      6.899647
  C      -5.276797      2.980126      5.710933
  C      -6.837479     -0.419048      4.883548
  H      -3.275752     -6.815451      2.862196
  H      -4.801457     -5.867576      2.849574
  H      -3.736250     -5.835742      1.433928
  H      -5.027279     -3.892172      1.390798
  H      -5.789270     -1.549425      0.989329
  H      -0.884326      0.742045      3.405042
  H      -0.791783     -0.677479      4.465673
  H      -2.098744     -2.477525      4.194528
  H      -7.841560      6.220942      1.215397
  H      -8.211304      4.670344      1.982450
  H      -7.562434      4.685733      0.315592
  H      -7.815116      5.998588      3.872835
  H      -7.091276      6.870786      6.096105
  H      -1.449164      6.768605      6.709457
  H      -2.819922      5.650923      6.958960
  H      -3.681338      5.785885      2.660897
  H      -9.560404     -3.034753      3.125368
  H      -8.366441     -4.370139      3.031841
  H      -8.292800     -2.988914      1.891552
  H      -9.118330     -0.798912      2.379335
  H      -9.095200      1.687940      2.539653
  H      -6.044510      3.700228      6.057626
  H      -5.193188      3.137525      4.626686
  H      -6.201186     -1.005907      5.547138
  N      -2.138967      3.305275      3.650685
  N      -2.396530      3.722058      2.440357
  H      -0.541882      5.018500      5.220431
  H      -3.366270      3.768132      2.103135
  H      -1.658170      3.659329      1.740918
91
Coordinates from ORCA-job orca E -6562.705727364271
  N      -1.056113      1.198339      5.478389
  Mo     -2.263679      2.870800      5.378240
  N      -3.994559      3.241638      6.321466
  C      -4.072355      3.347719      7.786840
  C      -3.060262      2.401328      8.421628
  N      -1.734651      2.615251      7.794770
  C      -0.836837      1.435983      7.894634
  C      -1.108218      0.471766      6.756328
  C      -1.077320      3.835866      8.315015
  C      -0.250964      4.480662      7.218763
  N      -1.117718      4.760488      6.042905
  H      -0.341256     -0.324182      6.767600
  H      -2.085246     -0.034459      6.904899
  H       0.197583      1.796604      7.808618
  H      -0.944992      0.944927      8.876914
  H       0.222723      5.407514      7.581630
  H       0.540631      3.799969      6.875291
  H      -1.854782      4.533417      8.655536
  H      -0.448972      3.603285      9.190924
  H      -5.075735      3.078503      8.145640
  H      -3.895380      4.390581      8.118221
  H      -3.374072      1.372457      8.204111
  H      -3.004770      2.533501      9.517461
  C      -3.717839     -5.875824      2.488610
  C      -2.976630     -4.707820      3.089043
  O      -2.003540     -4.867750      3.817536
  C      -3.481736     -3.321727      2.805949
  C      -4.523531     -3.058542      1.902917
  C      -4.966537     -1.754672      1.686973
  C      -4.389867     -0.720880      2.408987
  F      -4.831669      0.534667      2.192029
  C      -3.340950     -0.939285      3.326496
  C      -2.760701      0.157405      4.106265
  O      -3.479828      1.073715      4.554347
  C      -1.270181      0.288583      4.363962
  C      -2.886791     -2.255339      3.485969
  C      -7.582003      5.075296      1.420605
  C      -6.184510      4.954599      1.961746
  O      -5.346710      4.227170      1.425507
  C      -5.806249      5.745010      3.174306
  C      -6.738737      6.201492      4.120575
  C      -6.307549      6.750872      5.327863
  C      -4.943836      6.823374      5.584500
  F      -4.539861      7.315819      6.779468
  C      -3.981633      6.431847      4.643151
  C      -2.513487      6.353830      4.868427
  O      -1.713451      6.497814      3.953546
  C      -1.995001      5.944661      6.243445
  C      -4.445679      5.929250      3.425855
  C      -8.514446     -3.279192      2.895313
  C      -7.603788     -2.568388      3.867887
  O      -6.793211     -3.189102      4.547991
  C      -7.666810     -1.072110      3.941541
  C      -8.493665     -0.305924      3.101733
  C      -8.485305      1.083802      3.179265
  C      -7.635948      1.697773      4.091545
  F      -7.658302      3.055048      4.151592
  C      -6.797694      0.979300      4.954407
  C      -5.817863      1.570379      5.927661
  O      -5.461494      0.911884      6.894957
  C      -5.269180      2.982131      5.673632
  C      -6.845946     -0.416217      4.862578
  H      -3.255318     -6.809507      2.824342
  H      -4.776707     -5.855794      2.788612
  H      -3.690508     -5.829546      1.388976
  H      -4.996827     -3.873839      1.356150
  H      -5.761573     -1.528473      0.976396
  H      -0.851516      0.719038      3.432562
  H      -0.785860     -0.693322      4.504111
  H      -2.080779     -2.483076      4.185410
  H      -7.859176      6.130170      1.278260
  H      -8.297461      4.648949      2.141074
  H      -7.660006      4.530703      0.473823
  H      -7.808575      6.096291      3.940377
  H      -7.012992      7.102120      6.081049
  H      -1.413252      6.787612      6.658415
  H      -2.802325      5.697039      6.935527
  H      -3.706320      5.623516      2.687549
  H      -9.570478     -3.048439      3.100773
  H      -8.352651     -4.359210      2.974128
  H      -8.309142     -2.952905      1.863426
  H      -9.150396     -0.790165      2.378864
  H      -9.125679      1.696995      2.544916
  H      -6.042430      3.703591      6.004700
  H      -5.173927      3.129113      4.589701
  H      -6.202355     -1.005266      5.517067
  N      -2.108301      3.285201      3.643390
  N      -2.375814      3.679068      2.421603
  H      -0.517262      4.969311      5.260360
  H      -3.350664      3.683920      2.088492
  H      -1.645511      3.557256      1.720058
91
Coordinates from ORCA-job orca E -6562.706533168194
  N      -1.048839      1.199600      5.464655
  Mo     -2.265801      2.863329      5.386409
  N      -3.994614      3.218269      6.339806
  C      -4.057124      3.319024      7.806102
  C      -3.033910      2.376047      8.428316
  N      -1.715681      2.599642      7.786729
  C      -0.809375      1.427391      7.876217
  C      -1.083806      0.465989      6.738040
  C      -1.058152      3.822553      8.302993
  C      -0.247385      4.475519      7.201043
  N      -1.130158      4.751671      6.038372
  H      -0.311305     -0.324541      6.739256
  H      -2.056075     -0.047307      6.893205
  H       0.221723      1.795521      7.782286
  H      -0.906394      0.933696      8.858121
  H       0.222254      5.405594      7.561193
  H       0.545979      3.802489      6.846795
  H      -1.835277      4.514347      8.654380
  H      -0.418467      3.591076      9.171015
  H      -5.056382      3.047883      8.175488
  H      -3.878490      4.361102      8.137150
  H      -3.344580      1.346460      8.211572
  H      -2.965710      2.505874      9.523771
  C      -3.692980     -5.897759      2.553535
  C      -2.944301     -4.720399      3.124425
  O      -1.963191     -4.867553      3.844841
  C      -3.458014     -3.340544      2.828715
  C      -4.508968     -3.093648      1.932310
  C      -4.966573     -1.795859      1.711446
  C      -4.395761     -0.751949      2.423437
  F      -4.854833      0.496792      2.204876
  C      -3.333715     -0.953246      3.329452
  C      -2.758650      0.151513      4.102280
  O      -3.482760      1.061747      4.552817
  C      -1.266451      0.295459      4.348362
  C      -2.865173     -2.263792      3.493509
  C      -7.555807      5.250803      1.291731
  C      -6.159001      5.115378      1.831563
  O      -5.308039      4.436157      1.254852
  C      -5.809811      5.797441      3.115788
  C      -6.762620      6.152272      4.085060
  C      -6.357152      6.615052      5.336244
  C      -4.998385      6.703944      5.612985
  F      -4.621432      7.119111      6.845159
  C      -4.016606      6.408162      4.656851
  C      -2.549256      6.358625      4.890240
  O      -1.749577      6.536659      3.980206
  C      -2.018196      5.925730      6.255092
  C      -4.456497      5.988765      3.399396
  C      -8.556622     -3.270160      2.908252
  C      -7.630461     -2.567933      3.872088
  O      -6.820728     -3.196390      4.546458
  C      -7.691461     -1.071925      3.957851
  C      -8.522570     -0.298269      3.129151
  C      -8.507020      1.091186      3.212549
  C      -7.648703      1.697625      4.121512
  F      -7.657754      3.055042      4.182680
  C      -6.809061      0.971596      4.975997
  C      -5.822833      1.554280      5.947173
  O      -5.456486      0.885003      6.903353
  C      -5.273463      2.966287      5.699493
  C      -6.862125     -0.423366      4.876682
  H      -3.220220     -6.825653      2.890929
  H      -4.744938     -5.875789      2.879237
  H      -3.692368     -5.865483      1.453132
  H      -4.980764     -3.917715      1.397187
  H      -5.771181     -1.582315      1.007750
  H      -0.862002      0.736031      3.415527
  H      -0.771184     -0.682000      4.477979
  H      -2.054408     -2.479722      4.190534
  H      -7.855015      6.307553      1.232684
  H      -8.265922      4.752965      1.970799
  H      -7.617250      4.782457      0.303962
  H      -7.827964      6.038506      3.883511
  H      -7.078393      6.890080      6.105938
  H      -1.440784      6.766954      6.679521
  H      -2.817757      5.659292      6.949673
  H      -3.703463      5.763940      2.646431
  H      -9.608618     -3.035116      3.129133
  H      -8.399044     -4.351286      2.980165
  H      -8.363648     -2.939772      1.875432
  H      -9.186066     -0.775727      2.407929
  H      -9.148908      1.709871      2.585186
  H      -6.042700      3.685786      6.044030
  H      -5.187293      3.122582      4.615307
  H      -6.215893     -1.017512      5.523886
  N      -2.113658      3.297185      3.654092
  N      -2.345137      3.703616      2.437461
  H      -0.539369      4.989356      5.229108
  H      -3.309197      3.751935      2.079668
  H      -1.589155      3.642176      1.756600
91
Coordinates from ORCA-job orca E -6562.706126610118
  N      -1.075841      1.200787      5.470848
  Mo     -2.281255      2.872687      5.392224
  N      -4.001981      3.243142      6.352848
  C      -4.060514      3.347330      7.818276
  C      -3.045102      2.395705      8.437579
  N      -1.726828      2.608249      7.794414
  C      -0.829356      1.428848      7.882455
  C      -1.114040      0.469053      6.744979
  C      -1.061205      3.826686      8.308579
  C      -0.247999      4.472672      7.203955
  N      -1.130329      4.756256      6.041971
  H      -0.347866     -0.327665      6.744622
  H      -2.089879     -0.036537      6.902795
  H       0.204571      1.788543      7.786542
  H      -0.928055      0.935632      8.864553
  H       0.230600      5.398523      7.562924
  H       0.538852      3.792785      6.848265
  H      -1.833340      4.524147      8.660223
  H      -0.421961      3.591862      9.175998
  H      -5.060738      3.083800      8.189729
  H      -3.872821      4.388456      8.148265
  H      -3.365054      1.368394      8.221309
  H      -2.974933      2.524907      9.532878
  C      -3.741979     -5.857367      2.452554
  C      -3.016954     -4.692812      3.079096
  O      -2.030385     -4.854270      3.788975
  C      -3.522081     -3.305529      2.800757
  C      -4.565109     -3.039296      1.900159
  C      -5.009532     -1.734987      1.690752
  C      -4.434280     -0.704017      2.417811
  F      -4.871603      0.552130      2.198959
  C      -3.383102     -0.924947      3.332637
  C      -2.797834      0.168209      4.114609
  O      -3.512133      1.081988      4.575913
  C      -1.304111      0.298248      4.355494
  C      -2.926100     -2.241369      3.483271
  C      -7.491184      5.065514      1.326993
  C      -6.094363      4.993926      1.879254
  O      -5.224553      4.302144      1.346564
  C      -5.767162      5.753611      3.124676
  C      -6.730002      6.144300      4.069823
  C      -6.337375      6.665605      5.302544
  C      -4.981136      6.769066      5.587907
  F      -4.614983      7.231825      6.806535
  C      -3.991029      6.436881      4.652070
  C      -2.525546      6.381475      4.898929
  O      -1.716989      6.557349      3.996747
  C      -2.009993      5.935890      6.265352
  C      -4.418839      5.971549      3.407786
  C      -8.461362     -3.291923      2.935812
  C      -7.540568     -2.566075      3.887481
  O      -6.750778     -3.178909      4.598625
  C      -7.626467     -1.071078      3.963773
  C      -8.459980     -0.315136      3.121307
  C      -8.475555      1.074325      3.204982
  C      -7.644033      1.698836      4.126623
  F      -7.691493      3.055617      4.193799
  C      -6.800040      0.990309      4.992132
  C      -5.844659      1.591562      5.982440
  O      -5.443536      0.910073      6.915683
  C      -5.284842      2.995978      5.719874
  C      -6.822749     -0.405288      4.892763
  H      -3.266315     -6.791888      2.766914
  H      -4.799669     -5.857440      2.756353
  H      -3.719368     -5.787053      1.354008
  H      -5.038017     -3.852378      1.349880
  H      -5.804387     -1.506032      0.980757
  H      -0.896766      0.733756      3.421466
  H      -0.818311     -0.684089      4.484910
  H      -2.118780     -2.471893      4.179910
  H      -7.813064      6.110236      1.206205
  H      -8.194288      4.591686      2.030161
  H      -7.536338      4.540239      0.367390
  H      -7.792665      6.011188      3.866783
  H      -7.066784      6.968395      6.053944
  H      -1.428629      6.769364      6.699065
  H      -2.816400      5.670641      6.950895
  H      -3.657783      5.717001      2.673280
  H      -9.515199     -3.050956      3.142209
  H      -8.305078     -4.370945      3.035980
  H      -8.259869     -2.987948      1.896688
  H      -9.104905     -0.806931      2.393079
  H      -9.123061      1.679185      2.569890
  H      -6.046689      3.722762      6.064043
  H      -5.203221      3.144282      4.634437
  H      -6.176297     -0.986385      5.551679
  N      -2.146380      3.287652      3.655763
  N      -2.431336      3.668729      2.436210
  H      -0.541460      5.021737      5.224477
  H      -3.408113      3.663776      2.113012
  H      -1.704236      3.580898      1.727031
91
Coordinates from ORCA-job orca E -6562.706743586665
  N      -1.064377      1.202986      5.468518
  Mo     -2.275514      2.871035      5.392490
  N      -4.001023      3.233206      6.348696
  C      -4.060789      3.334550      7.814930
  C      -3.041007      2.386617      8.434356
  N      -1.722916      2.604654      7.790667
  C      -0.821704      1.428251      7.879757
  C      -1.101239      0.468395      6.741110
  C      -1.060706      3.825096      8.306588
  C      -0.247242      4.474263      7.204484
  N      -1.128385      4.753976      6.040260
  H      -0.332002     -0.325354      6.740986
  H      -2.075481     -0.041039      6.896851
  H       0.211105      1.791564      7.785676
  H      -0.920745      0.934744      8.861573
  H       0.226583      5.402224      7.564542
  H       0.543205      3.797643      6.850572
  H      -1.835309      4.520026      8.657333
  H      -0.422270      3.591554      9.174972
  H      -5.060360      3.067372      8.185888
  H      -3.876949      4.375881      8.145961
  H      -3.356687      1.358470      8.217033
  H      -2.970309      2.514987      9.529752
  C      -3.712616     -5.874771      2.499140
  C      -2.977967     -4.703162      3.099990
  O      -1.990557     -4.856693      3.810466
  C      -3.488425     -3.320017      2.812892
  C      -4.536181     -3.064424      1.914961
  C      -4.988914     -1.763828      1.700710
  C      -4.416838     -0.725878      2.420331
  F      -4.866770      0.526044      2.202039
  C      -3.358950     -0.935843      3.329666
  C      -2.779580      0.163338      4.107207
  O      -3.499532      1.074386      4.563922
  C      -1.286512      0.301763      4.350729
  C      -2.894824     -2.249063      3.486512
  C      -7.531110      5.147695      1.315040
  C      -6.130699      5.048008      1.853294
  O      -5.274145      4.358443      1.297019
  C      -5.788367      5.766794      3.118680
  C      -6.744783      6.138886      4.077737
  C      -6.344272      6.630770      5.319526
  C      -4.986445      6.727958      5.598281
  F      -4.613163      7.169625      6.822355
  C      -4.001681      6.415400      4.650375
  C      -2.534826      6.366640      4.889366
  O      -1.731071      6.548315      3.983820
  C      -2.010397      5.933184      6.256764
  C      -4.436848      5.972314      3.399746
  C      -8.516333     -3.278895      2.925445
  C      -7.593561     -2.565316      3.884250
  O      -6.796788     -3.186732      4.580145
  C      -7.664043     -1.069439      3.962824
  C      -8.492652     -0.303989      3.124073
  C      -8.488829      1.085746      3.204927
  C      -7.643829      1.700692      4.120642
  F      -7.666853      3.058315      4.180823
  C      -6.806059      0.982812      4.984022
  C      -5.834856      1.574021      5.965138
  O      -5.457469      0.900647      6.914104
  C      -5.281357      2.982922      5.711512
  C      -6.847789     -0.412629      4.887399
  H      -3.232887     -6.805476      2.818570
  H      -4.765993     -5.869993      2.819453
  H      -3.706820     -5.818559      1.399676
  H      -5.007895     -3.883388      1.372213
  H      -5.789351     -1.543236      0.994373
  H      -0.881612      0.742742      3.418245
  H      -0.794529     -0.677735      4.477709
  H      -2.085633     -2.471866      4.183268
  H      -7.845880      6.197884      1.227521
  H      -8.231710      4.658803      2.010501
  H      -7.588757      4.650673      0.341174
  H      -7.808990      6.014683      3.876798
  H      -7.068665      6.919410      6.081259
  H      -1.430094      6.770867      6.683869
  H      -2.813968      5.669965      6.947066
  H      -3.680948      5.733781      2.654250
  H      -9.569091     -3.037432      3.135956
  H      -8.362550     -4.359292      3.014175
  H      -8.315607     -2.964414      1.889197
  H      -9.146955     -0.788143      2.399004
  H      -9.130622      1.698099      2.571240
  H      -6.047993      3.705674      6.054722
  H      -5.196205      3.134951      4.626813
  H      -6.204317     -1.000733      5.542893
  N      -2.125820      3.294879      3.657864
  N      -2.366425      3.685237      2.436121
  H      -0.536918      4.989762      5.234760
  H      -3.332660      3.725628      2.084521
  H      -1.613998      3.617350      1.752033
91
Coordinates from ORCA-job orca E -6562.706688324723
  N      -1.075863      1.218950      5.458837
  Mo     -2.292502      2.885185      5.398521
  N      -4.014062      3.243114      6.365036
  C      -4.063297      3.340340      7.831919
  C      -3.040646      2.389052      8.441589
  N      -1.726178      2.607874      7.790098
  C      -0.825395      1.429955      7.870643
  C      -1.108609      0.476642      6.727198
  C      -1.060112      3.825379      8.307732
  C      -0.247002      4.474397      7.205602
  N      -1.128796      4.760362      6.043762
  H      -0.339332     -0.317041      6.719546
  H      -2.082393     -0.033422      6.883555
  H       0.207615      1.792775      7.776636
  H      -0.923205      0.931395      8.849946
  H       0.230839      5.399631      7.567245
  H       0.540222      3.795852      6.848167
  H      -1.832291      4.521751      8.661422
  H      -0.420939      3.587336      9.174251
  H      -5.060782      3.074068      8.209394
  H      -3.875058      4.380457      8.164140
  H      -3.358392      1.361967      8.222759
  H      -2.962568      2.514016      9.536846
  C      -3.715089     -5.857690      2.492274
  C      -2.971076     -4.681959      3.073647
  O      -1.987739     -4.832218      3.790390
  C      -3.493470     -3.300953      2.797062
  C      -4.550831     -3.047733      1.909610
  C      -5.012715     -1.748716      1.704713
  C      -4.439575     -0.710168      2.423016
  F      -4.900084      0.539839      2.215714
  C      -3.373353     -0.918009      3.322886
  C      -2.794165      0.181038      4.101056
  O      -3.515403      1.086742      4.566291
  C      -1.300314      0.323983      4.336419
  C      -2.901015     -2.229276      3.470609
  C      -7.471354      5.080433      1.281808
  C      -6.074170      5.010817      1.832994
  O      -5.189513      4.367414      1.265031
  C      -5.757658      5.733684      3.103036
  C      -6.728170      6.079573      4.057935
  C      -6.346055      6.572690      5.304807
  C      -4.992383      6.695808      5.594219
  F      -4.638062      7.133775      6.825131
  C      -3.994375      6.408628      4.651651
  C      -2.527778      6.383820      4.898228
  O      -1.723177      6.568581      3.993699
  C      -2.000831      5.946403      6.262994
  C      -4.413192      5.967020      3.394790
  C      -8.513708     -3.268281      2.919413
  C      -7.600424     -2.559747      3.891012
  O      -6.781623     -3.180720      4.561065
  C      -7.676688     -1.065014      3.981402
  C      -8.516572     -0.297046      3.156300
  C      -8.518240      1.092034      3.247664
  C      -7.666371      1.703678      4.159256
  F      -7.692571      3.060848      4.228725
  C      -6.817749      0.983036      5.009430
  C      -5.837806      1.571751      5.983134
  O      -5.460782      0.900675      6.933858
  C      -5.296628      2.986373      5.735296
  C      -6.854643     -0.411727      4.903173
  H      -3.231441     -6.786321      2.811791
  H      -4.763457     -5.849771      2.828528
  H      -3.725992     -5.809679      1.392617
  H      -5.022414     -3.867091      1.367362
  H      -5.821136     -1.529890      1.006982
  H      -0.902151      0.771941      3.404481
  H      -0.804439     -0.654742      4.455016
  H      -2.084275     -2.450079      4.159393
  H      -7.819397      6.121616      1.215333
  H      -8.161634      4.552868      1.958983
  H      -7.504062      4.604220      0.296456
  H      -7.787975      5.933055      3.849864
  H      -7.081317      6.840898      6.063602
  H      -1.410683      6.780597      6.682889
  H      -2.800431      5.689794      6.960212
  H      -3.647307      5.749936      2.652900
  H      -9.569506     -3.049383      3.138814
  H      -8.341217     -4.347535      2.984640
  H      -8.322360     -2.928437      1.889310
  H      -9.175252     -0.778730      2.433521
  H      -9.168605      1.706164      2.624520
  H      -6.066808      3.701310      6.087189
  H      -5.218711      3.145168      4.651180
  H      -6.202350     -1.001829      5.548011
  N      -2.146262      3.307723      3.662916
  N      -2.361982      3.677055      2.432351
  H      -0.538308      4.987588      5.238536
  H      -3.320189      3.741535      2.062518
  H      -1.589138      3.637856      1.769620
91
Coordinates from ORCA-job orca E -6562.706526072603
  N      -1.080399      1.204429      5.478182
  Mo     -2.286722      2.878565      5.396767
  N      -4.015579      3.247625      6.346648
  C      -4.076565      3.358671      7.812380
  C      -3.066722      2.404771      8.439805
  N      -1.744641      2.607243      7.800131
  C      -0.854259      1.422524      7.893259
  C      -1.132759      0.468103      6.749734
  C      -1.073349      3.823572      8.313658
  C      -0.250789      4.460682      7.211250
  N      -1.128022      4.746786      6.047733
  H      -0.369952     -0.331863      6.753060
  H      -2.112131     -0.033669      6.897784
  H       0.182582      1.776715      7.809416
  H      -0.966210      0.927082      8.872684
  H       0.233284      5.384078      7.569082
  H       0.531762      3.773759      6.859458
  H      -1.843176      4.527162      8.659010
  H      -0.439768      3.587428      9.184870
  H      -5.078933      3.101240      8.183171
  H      -3.885096      4.400862      8.136411
  H      -3.390388      1.378401      8.226367
  H      -2.998847      2.538318      9.534789
  C      -3.714676     -5.847539      2.438252
  C      -2.976046     -4.679131      3.040596
  O      -2.002604     -4.838450      3.768800
  C      -3.494595     -3.295000      2.773537
  C      -4.545463     -3.032335      1.881095
  C      -5.003833     -1.730825      1.684656
  C      -4.432801     -0.699476      2.414748
  F      -4.891466      0.552816      2.217004
  C      -3.373512     -0.916895      3.320527
  C      -2.795089      0.175578      4.107316
  O      -3.514267      1.087021      4.565611
  C      -1.302075      0.305168      4.358519
  C      -2.905288     -2.230436      3.460813
  C      -7.527461      5.076759      1.352289
  C      -6.133069      4.969396      1.904524
  O      -5.284102      4.252265      1.370911
  C      -5.776170      5.745326      3.131673
  C      -6.725291      6.190138      4.067139
  C      -6.316132      6.731294      5.285428
  C      -4.957059      6.805976      5.565504
  F      -4.575265      7.290452      6.770342
  C      -3.978246      6.424283      4.636639
  C      -2.512550      6.355376      4.878767
  O      -1.706360      6.494538      3.967932
  C      -1.992223      5.940277      6.253510
  C      -4.420694      5.931161      3.407446
  C      -8.470750     -3.306060      2.935704
  C      -7.556677     -2.583854      3.896455
  O      -6.728967     -3.193949      4.565595
  C      -7.649207     -1.089606      3.982538
  C      -8.497818     -0.333497      3.155447
  C      -8.514776      1.055779      3.242352
  C      -7.669197      1.679482      4.151577
  F      -7.711679      3.036380      4.218479
  C      -6.812197      0.971047      5.003529
  C      -5.837865      1.573758      5.974585
  O      -5.468997      0.916615      6.938040
  C      -5.295897      2.986312      5.713013
  C      -6.834097     -0.424440      4.902092
  H      -3.237769     -6.780234      2.756094
  H      -4.767912     -5.840336      2.759238
  H      -3.709312     -5.789396      1.339005
  H      -5.014587     -3.846059      1.328318
  H      -5.807591     -1.504658      0.983899
  H      -0.888298      0.743385      3.428875
  H      -0.817687     -0.678071      4.487924
  H      -2.093864     -2.458896      4.153513
  H      -7.823043      6.128810      1.227916
  H      -8.240774      4.623116      2.058284
  H      -7.587041      4.548712      0.395006
  H      -7.791636      6.083594      3.868406
  H      -7.035429      7.075065      6.028882
  H      -1.393316      6.776563      6.656399
  H      -2.795008      5.703333      6.955065
  H      -3.668026      5.636261      2.678259
  H      -9.526859     -3.095119      3.161415
  H      -8.288261     -4.383380      3.005765
  H      -8.289825     -2.970535      1.902345
  H      -9.151923     -0.824838      2.434995
  H      -9.172628      1.660734      2.618109
  H      -6.066986      3.704233      6.056153
  H      -5.214683      3.134420      4.627733
  H      -6.175070     -1.005429      5.548336
  N      -2.112503      3.293573      3.664109
  N      -2.319614      3.644389      2.424635
  H      -0.536232      4.973231      5.224269
  H      -3.275871      3.675694      2.042903
  H      -1.540013      3.598901      1.769629
91
Coordinates from ORCA-job orca E -6562.706743505557
  N      -1.075766      1.211022      5.471623
  Mo     -2.287097      2.880252      5.404275
  N      -4.011645      3.237921      6.365057
  C      -4.065244      3.338670      7.832041
  C      -3.044282      2.388879      8.446833
  N      -1.727961      2.605008      7.798011
  C      -0.828844      1.426879      7.882943
  C      -1.111370      0.471467      6.741401
  C      -1.062128      3.824759      8.311997
  C      -0.249391      4.472383      7.208364
  N      -1.132571      4.753701      6.045693
  H      -0.343187     -0.323279      6.737124
  H      -2.086047     -0.037200      6.897144
  H       0.204647      1.788310      7.789561
  H      -0.928667      0.930666      8.863244
  H       0.227184      5.399434      7.567030
  H       0.538790      3.794038      6.852710
  H      -1.835144      4.520838      8.663802
  H      -0.422307      3.590859      9.179346
  H      -5.063564      3.072669      8.207106
  H      -3.878404      4.379783      8.162089
  H      -3.362355      1.361535      8.229448
  H      -2.968499      2.515896      9.542057
  C      -3.719458     -5.850628      2.456386
  C      -2.988608     -4.683351      3.070014
  O      -2.001652     -4.841648      3.780107
  C      -3.497653     -3.298508      2.789375
  C      -4.543366     -3.037731      1.890546
  C      -4.997203     -1.736164      1.685102
  C      -4.428358     -0.702806      2.413757
  F      -4.879907      0.549828      2.203465
  C      -3.371530     -0.917668      3.323357
  C      -2.793525      0.176745      4.107912
  O      -3.514035      1.083873      4.571997
  C      -1.299721      0.314698      4.350578
  C      -2.906455     -2.231744      3.471538
  C      -7.502319      5.085179      1.310043
  C      -6.098793      5.013213      1.844214
  O      -5.238553      4.317388      1.300665
  C      -5.764394      5.747299      3.101895
  C      -6.726926      6.128936      4.051150
  C      -6.334813      6.633706      5.290593
  C      -4.978686      6.733727      5.576493
  F      -4.610740      7.182848      6.799159
  C      -3.988914      6.414607      4.636504
  C      -2.524402      6.367015      4.885953
  O      -1.713659      6.561082      3.989385
  C      -2.008523      5.938849      6.259125
  C      -4.414831      5.958375      3.387950
  C      -8.510019     -3.288565      2.951276
  C      -7.579918     -2.569642      3.898888
  O      -6.782061     -3.187564      4.596682
  C      -7.659419     -1.074184      3.979577
  C      -8.492831     -0.312350      3.142371
  C      -8.495134      1.077419      3.223532
  C      -7.652432      1.696006      4.138840
  F      -7.681602      3.053771      4.199018
  C      -6.811392      0.981758      5.002035
  C      -5.844040      1.576249      5.985278
  O      -5.466246      0.903356      6.934383
  C      -5.294533      2.986954      5.733037
  C      -6.846140     -0.413822      4.904340
  H      -3.235502     -6.783113      2.764051
  H      -4.771988     -5.853589      2.779857
  H      -3.717208     -5.781857      1.357643
  H      -5.012931     -3.853240      1.340758
  H      -5.796255     -1.511301      0.978522
  H      -0.896045      0.760379      3.419980
  H      -0.807222     -0.665223      4.471977
  H      -2.099690     -2.459310      4.169421
  H      -7.833993      6.129118      1.212095
  H      -8.192585      4.592798      2.013544
  H      -7.555068      4.576101      0.342187
  H      -7.789752      6.000994      3.844946
  H      -7.064362      6.928807      6.044868
  H      -1.424175      6.774058      6.685301
  H      -2.817760      5.681528      6.945872
  H      -3.654137      5.713113      2.649709
  H      -9.561223     -3.046168      3.168690
  H      -8.355189     -4.368448      3.044335
  H      -8.317437     -2.979355      1.912015
  H      -9.145726     -0.799101      2.417769
  H      -9.140807      1.686873      2.590972
  H      -6.061227      3.706735      6.081942
  H      -5.214676      3.141848      4.648397
  H      -6.199497     -0.999204      5.559164
  N      -2.132310      3.300779      3.669899
  N      -2.360297      3.663108      2.438505
  H      -0.543187      4.997811      5.231474
  H      -3.322861      3.707751      2.075694
  H      -1.593144      3.622373      1.769106
91
Coordinates from ORCA-job orca E -6562.706751079448
  N      -1.066571      1.199602      5.481119
  Mo     -2.274649      2.871611      5.396533
  N      -4.001215      3.234840      6.351386
  C      -4.063404      3.341987      7.817878
  C      -3.047539      2.393961      8.443620
  N      -1.727422      2.606447      7.803707
  C      -0.829499      1.428070      7.895005
  C      -1.109547      0.468284      6.755896
  C      -1.064971      3.828747      8.314459
  C      -0.251039      4.474111      7.209810
  N      -1.131734      4.751321      6.044563
  H      -0.343323     -0.328365      6.758761
  H      -2.085977     -0.037380      6.910090
  H       0.204632      1.788356      7.803972
  H      -0.932518      0.934240      8.876289
  H       0.224117      5.402623      7.566430
  H       0.538409      3.795180      6.857996
  H      -1.839950      4.524959      8.662321
  H      -0.426360      3.599419      9.183945
  H      -5.064178      3.077144      8.187312
  H      -3.878856      4.384463      8.144781
  H      -3.365060      1.365877      8.228770
  H      -2.980498      2.526033      9.538864
  C      -3.711397     -5.857992      2.445223
  C      -2.979712     -4.692494      3.061353
  O      -2.004817     -4.854344      3.787076
  C      -3.490260     -3.306655      2.788144
  C      -4.534435     -3.041655      1.888659
  C      -4.987008     -1.738898      1.687343
  C      -4.417857     -0.708671      2.420211
  F      -4.868492      0.545323      2.214828
  C      -3.363809     -0.928168      3.331890
  C      -2.784426      0.163984      4.118081
  O      -3.502741      1.075638      4.577698
  C      -1.290878      0.295446      4.365752
  C      -2.900369     -2.243088      3.476370
  C      -7.531864      5.143372      1.312290
  C      -6.137046      5.020840      1.860699
  O      -5.292440      4.307672      1.315349
  C      -5.784324      5.754514      3.114421
  C      -6.736972      6.164469      4.061928
  C      -6.333052      6.677517      5.294421
  C      -4.974569      6.760399      5.574478
  F      -4.593930      7.221638      6.788901
  C      -3.993505      6.412232      4.635742
  C      -2.527388      6.360072      4.879000
  O      -1.720907      6.516123      3.971764
  C      -2.010931      5.934523      6.253105
  C      -4.429796      5.942116      3.395773
  C      -8.496192     -3.292360      2.943638
  C      -7.570568     -2.573326      3.895582
  O      -6.757445     -3.188923      4.577543
  C      -7.652573     -1.078181      3.978125
  C      -8.491431     -0.317342      3.145447
  C      -8.498899      1.072173      3.230157
  C      -7.654877      1.691318      4.143837
  F      -7.690108      3.048458      4.210241
  C      -6.806720      0.978185      5.000677
  C      -5.837185      1.575671      5.979555
  O      -5.459051      0.907325      6.931641
  C      -5.283319      2.983262      5.717164
  C      -6.837074     -0.417234      4.900510
  H      -3.238394     -6.792122      2.764718
  H      -4.768675     -5.852347      2.752435
  H      -3.691831     -5.795217      1.346258
  H      -5.003276     -3.854618      1.334518
  H      -5.784920     -1.510943      0.980496
  H      -0.879483      0.730314      3.433389
  H      -0.805318     -0.686731      4.497556
  H      -2.093956     -2.473560      4.173954
  H      -7.821898      6.199054      1.207200
  H      -8.248046      4.680571      2.009283
  H      -7.593492      4.633965      0.345061
  H      -7.802610      6.056431      3.858857
  H      -7.055718      6.996246      6.045682
  H      -1.428095      6.772000      6.676526
  H      -2.820785      5.679647      6.939936
  H      -3.675304      5.675603      2.658067
  H      -9.548904     -3.059817      3.164109
  H      -8.332753     -4.371674      3.028321
  H      -8.307400     -2.974015      1.906319
  H      -9.145344     -0.805033      2.422365
  H      -9.149143      1.680946      2.601675
  H      -6.048242      3.707824      6.059830
  H      -5.201167      3.130197      4.631550
  H      -6.185782     -1.001970      5.551257
  N      -2.117117      3.282847      3.662114
  N      -2.374663      3.641981      2.431531
  H      -0.543957      4.984790      5.242329
  H      -3.345111      3.642125      2.086654
  H      -1.625994      3.564298      1.744000
91
Coordinates from ORCA-job orca E -6562.706837513282
  N      -1.076214      1.215741      5.466651
  Mo     -2.289185      2.885045      5.403167
  N      -4.011026      3.242201      6.369600
  C      -4.060600      3.342481      7.836939
  C      -3.038314      2.392514      8.449149
  N      -1.723649      2.609798      7.797805
  C      -0.823779      1.431704      7.878890
  C      -1.109241      0.476622      6.736949
  C      -1.058083      3.829223      8.311640
  C      -0.247204      4.477766      7.207766
  N      -1.130810      4.759334      6.045427
  H      -0.341351     -0.318409      6.730540
  H      -2.083739     -0.031576      6.894948
  H       0.209495      1.793522      7.783814
  H      -0.921290      0.934117      8.858738
  H       0.228767      5.404898      7.566886
  H       0.541225      3.800235      6.851054
  H      -1.831021      4.524985      8.664607
  H      -0.417387      3.594707      9.178084
  H      -5.058162      3.076857      8.214387
  H      -3.872447      4.383316      8.166709
  H      -3.356297      1.365151      8.232005
  H      -2.960764      2.519428      9.544238
  C      -3.713909     -5.848512      2.454582
  C      -2.982328     -4.678026      3.061663
  O      -1.995849     -4.833324      3.773017
  C      -3.501240     -3.294843      2.789779
  C      -4.554431     -3.035716      1.899090
  C      -5.014375     -1.735171      1.699800
  C      -4.443169     -0.701164      2.426020
  F      -4.900464      0.550599      2.221917
  C      -3.379972     -0.914673      3.328346
  C      -2.799441      0.180539      4.110458
  O      -3.518816      1.087316      4.577195
  C      -1.304703      0.319050      4.346417
  C      -2.909973     -2.227476      3.471025
  C      -7.476190      5.079668      1.276590
  C      -6.080861      4.997733      1.831330
  O      -5.202819      4.340644      1.268697
  C      -5.759617      5.722992      3.098333
  C      -6.729116      6.082112      4.049251
  C      -6.346525      6.583152      5.292937
  C      -4.992571      6.701651      5.582572
  F      -4.635612      7.151420      6.808393
  C      -3.995612      6.401851      4.643023
  C      -2.529368      6.378803      4.892517
  O      -1.722848      6.562568      3.989812
  C      -2.006367      5.944362      6.261117
  C      -4.413776      5.950532      3.389591
  C      -8.508474     -3.272711      2.936387
  C      -7.591318     -2.560641      3.901644
  O      -6.776840     -3.180062      4.578419
  C      -7.668546     -1.065677      3.988292
  C      -8.505342     -0.299717      3.158235
  C      -8.507779      1.089613      3.246622
  C      -7.660165      1.703424      4.160661
  F      -7.687048      3.060753      4.227791
  C      -6.814694      0.984876      5.015487
  C      -5.840437      1.576118      5.993168
  O      -5.464023      0.905170      6.944159
  C      -5.294929      2.988454      5.741200
  C      -6.850342     -0.410092      4.911936
  H      -3.226354     -6.779196      2.761994
  H      -4.764656     -5.853337      2.783263
  H      -3.717320     -5.782234      1.355774
  H      -5.024379     -3.851513      1.350111
  H      -5.819581     -1.511666      0.999809
  H      -0.904375      0.763423      3.413704
  H      -0.812559     -0.661298      4.466883
  H      -2.096393     -2.453249      4.161819
  H      -7.812326      6.124292      1.203100
  H      -8.174380      4.563637      1.954497
  H      -7.511079      4.598444      0.293762
  H      -7.789545      5.941183      3.840163
  H      -7.081897      6.862561      6.047546
  H      -1.420483      6.779018      6.685626
  H      -2.810670      5.685635      6.951994
  H      -3.648634      5.723532      2.649988
  H      -9.563065     -3.045141      3.152761
  H      -8.342582     -4.352342      3.011617
  H      -8.314145     -2.943646      1.903358
  H      -9.161273     -0.783019      2.434036
  H      -9.156096      1.702202      2.619844
  H      -6.062395      3.706744      6.092077
  H      -5.217456      3.144197      4.656561
  H      -6.200594     -0.998675      5.560736
  N      -2.137794      3.301126      3.667280
  N      -2.361260      3.650451      2.432024
  H      -0.538624      4.986871      5.242812
  H      -3.321506      3.702677      2.066283
  H      -1.590509      3.609327      1.767218
91
Coordinates from ORCA-job orca E -6562.706855531490
  N      -1.075572      1.217326      5.467149
  Mo     -2.288394      2.886218      5.408426
  N      -4.010990      3.237776      6.375580
  C      -4.058674      3.337590      7.843060
  C      -3.033715      2.389148      8.453251
  N      -1.720210      2.608516      7.799826
  C      -0.818883      1.431678      7.878461
  C      -1.105011      0.477090      6.736639
  C      -1.055338      3.828578      8.313198
  C      -0.248671      4.479587      7.208443
  N      -1.136979      4.759163      6.049748
  H      -0.336087     -0.316942      6.728431
  H      -2.078514     -0.032579      6.896139
  H       0.213739      1.794844      7.781714
  H      -0.914031      0.933360      8.858167
  H       0.225840      5.407844      7.566558
  H       0.540331      3.804312      6.848740
  H      -1.828781      4.522454      8.668787
  H      -0.411823      3.594736      9.177808
  H      -5.055197      3.070322      8.221966
  H      -3.871594      4.378825      8.172401
  H      -3.350493      1.361462      8.235827
  H      -2.954136      2.515320      9.548269
  C      -3.700620     -5.842166      2.440552
  C      -2.970237     -4.670844      3.047332
  O      -1.989073     -4.825689      3.766108
  C      -3.494560     -3.288714      2.780762
  C      -4.548986     -3.030254      1.891366
  C      -5.013219     -1.730567      1.696624
  C      -4.445132     -0.696932      2.425807
  F      -4.906684      0.553753      2.225378
  C      -3.380709     -0.909610      3.326986
  C      -2.801655      0.184856      4.110983
  O      -3.521324      1.090677      4.579419
  C      -1.306358      0.322533      4.346553
  C      -2.906994     -2.221673      3.465639
  C      -7.469006      5.019701      1.291068
  C      -6.069797      4.965442      1.839098
  O      -5.193340      4.287602      1.298737
  C      -5.752636      5.712541      3.093551
  C      -6.725110      6.086704      4.035531
  C      -6.346431      6.601418      5.274891
  C      -4.993272      6.718053      5.568711
  F      -4.638665      7.176452      6.791829
  C      -3.994008      6.405906      4.635885
  C      -2.530118      6.373376      4.893598
  O      -1.717035      6.577587      4.001291
  C      -2.014895      5.942371      6.266464
  C      -4.407677      5.942493      3.385828
  C      -8.534363     -3.260445      2.937663
  C      -7.604541     -2.551254      3.892789
  O      -6.794402     -3.174380      4.571366
  C      -7.680879     -1.056563      3.985311
  C      -8.518631     -0.286886      3.159751
  C      -8.517649      1.102214      3.251442
  C      -7.666445      1.712021      4.164774
  F      -7.690829      3.069295      4.234931
  C      -6.820866      0.989602      5.016464
  C      -5.842834      1.575422      5.994173
  O      -5.472618      0.903063      6.946612
  C      -5.295797      2.988101      5.747521
  C      -6.859797     -0.405030      4.909315
  H      -3.211182     -6.772164      2.747065
  H      -4.750942     -5.849095      2.770727
  H      -3.705753     -5.775500      1.341832
  H      -5.016233     -3.845713      1.339570
  H      -5.819201     -1.507343      0.997421
  H      -0.906762      0.768286      3.414253
  H      -0.814356     -0.658131      4.464806
  H      -2.093197     -2.447473      4.156053
  H      -7.815075      6.058883      1.191851
  H      -8.158627      4.515639      1.986861
  H      -7.504978      4.511859      0.321803
  H      -7.784858      5.943116      3.824690
  H      -7.084164      6.890048      6.023695
  H      -1.431439      6.777032      6.694428
  H      -2.823209      5.681337      6.952550
  H      -3.640108      5.701424      2.653182
  H      -9.585613     -3.023911      3.160813
  H      -8.376012     -4.340979      3.016086
  H      -8.345152     -2.937063      1.901967
  H      -9.177584     -0.766860      2.436085
  H      -9.166580      1.717664      2.628085
  H      -6.062106      3.705886      6.101810
  H      -5.219217      3.147611      4.663501
  H      -6.209331     -0.996632      5.554647
  N      -2.130174      3.307772      3.674311
  N      -2.342366      3.649683      2.436246
  H      -0.545907      5.001966      5.237418
  H      -3.299252      3.703025      2.061181
  H      -1.563145      3.628088      1.780482
91
Coordinates from ORCA-job orca E -6562.706931695167
  N      -1.092044      1.215185      5.468950
  Mo     -2.298915      2.889263      5.407266
  N      -4.021812      3.249481      6.371447
  C      -4.071527      3.351206      7.838378
  C      -3.054026      2.396447      8.450554
  N      -1.737987      2.608015      7.800098
  C      -0.843574      1.425719      7.881480
  C      -1.130752      0.473722      6.737656
  C      -1.067979      3.824178      8.316032
  C      -0.251090      4.469034      7.214404
  N      -1.129728      4.754372      6.049008
  H      -0.366071     -0.324430      6.731420
  H      -2.107678     -0.030655      6.893099
  H       0.191545      1.782916      7.789229
  H      -0.945590      0.927250      8.860416
  H       0.228223      5.394010      7.574621
  H       0.535174      3.787826      6.859886
  H      -1.838647      4.523490      8.667180
  H      -0.430703      3.586296      9.184115
  H      -5.070314      3.089909      8.215627
  H      -3.878929      4.391504      8.167575
  H      -3.376485      1.370589      8.232627
  H      -2.976269      2.522458      9.545710
  C      -3.739575     -5.831953      2.427020
  C      -3.008666     -4.665959      3.043306
  O      -2.025356     -4.826554      3.757892
  C      -3.522369     -3.280557      2.773431
  C      -4.571461     -3.015976      1.879547
  C      -5.026965     -1.713641      1.682434
  C      -4.455581     -0.683377      2.413722
  F      -4.908511      0.570099      2.211160
  C      -3.396484     -0.902264      3.319550
  C      -2.815145      0.189255      4.106172
  O      -3.533134      1.096436      4.574238
  C      -1.320594      0.322520      4.345880
  C      -2.930724     -2.216859      3.460022
  C      -7.477349      5.069932      1.294891
  C      -6.076252      5.000408      1.836418
  O      -5.207269      4.321910      1.285046
  C      -5.747659      5.736543      3.095002
  C      -6.714097      6.117006      4.040823
  C      -6.327320      6.626561      5.279653
  C      -4.972423      6.732618      5.569536
  F      -4.611288      7.187194      6.792224
  C      -3.977979      6.412917      4.633994
  C      -2.512770      6.376563      4.886192
  O      -1.702432      6.553868      3.985552
  C      -1.995909      5.947321      6.258558
  C      -4.399624      5.952371      3.385120
  C      -8.455810     -3.311868      2.965787
  C      -7.545139     -2.583883      3.925292
  O      -6.733754     -3.191800      4.616162
  C      -7.638399     -1.089193      4.002744
  C      -8.478233     -0.336824      3.163442
  C      -8.495250      1.052954      3.243316
  C      -7.659043      1.681088      4.158175
  F      -7.701375      3.038508      4.217108
  C      -6.811464      0.976282      5.022582
  C      -5.850054      1.581876      6.004531
  O      -5.465623      0.914264      6.954667
  C      -5.305792      2.993226      5.744363
  C      -6.832479     -0.419645      4.927229
  H      -3.252983     -6.764890      2.729101
  H      -4.790760     -5.838299      2.754635
  H      -3.741833     -5.758520      1.328678
  H      -5.041664     -3.828848      1.326442
  H      -5.828931     -1.485812      0.980125
  H      -0.916746      0.768256      3.415434
  H      -0.831861     -0.659783      4.464541
  H      -2.120840     -2.447164      4.153621
  H      -7.817126      6.112225      1.207957
  H      -8.167123      4.563108      1.988453
  H      -7.521002      4.572362      0.320595
  H      -7.775757      5.984967      3.832203
  H      -7.060327      6.921201      6.030757
  H      -1.402787      6.779404      6.677926
  H      -2.803166      5.699076      6.950351
  H      -3.636518      5.708648      2.648688
  H      -9.512317     -3.087632      3.176436
  H      -8.284229     -4.389658      3.053613
  H      -8.260079     -2.993358      1.929785
  H      -9.125325     -0.831128      2.438735
  H      -9.146751      1.654936      2.609586
  H      -6.073393      3.712409      6.092720
  H      -5.228961      3.143959      4.659054
  H      -6.181074     -0.997745      5.583766
  N      -2.139288      3.303057      3.671625
  N      -2.345477      3.635067      2.429490
  H      -0.539074      4.974825      5.239237
  H      -3.300355      3.708398      2.052622
  H      -1.562625      3.607048      1.778375
91
Coordinates from ORCA-job orca E -6562.706964632285
  N      -1.083603      1.215366      5.471046
  Mo     -2.295785      2.885852      5.410854
  N      -4.017403      3.240050      6.379649
  C      -4.064148      3.341668      7.846960
  C      -3.041610      2.390878      8.457332
  N      -1.727777      2.606871      7.803658
  C      -0.828944      1.427893      7.882919
  C      -1.116176      0.474497      6.740385
  C      -1.060746      3.826268      8.316160
  C      -0.250338      4.473935      7.211032
  N      -1.134703      4.754978      6.049005
  H      -0.348834     -0.321060      6.732440
  H      -2.090921     -0.033130      6.898878
  H       0.204603      1.788707      7.787410
  H      -0.926255      0.929365      8.862314
  H       0.226564      5.401126      7.568650
  H       0.537331      3.795688      6.853969
  H      -1.833122      4.522569      8.669551
  H      -0.419263      3.591967      9.182162
  H      -5.061178      3.076991      8.226530
  H      -3.874400      4.382782      8.175272
  H      -3.360934      1.363800      8.240676
  H      -2.961711      2.517658      9.552276
  C      -3.687087     -5.842432      2.420983
  C      -2.966679     -4.671451      3.040254
  O      -1.981565     -4.825359      3.753815
  C      -3.493565     -3.289817      2.776174
  C      -4.547638     -3.031402      1.886328
  C      -5.014307     -1.732162      1.694170
  C      -4.448233     -0.698933      2.425551
  F      -4.912507      0.551362      2.228388
  C      -3.384366     -0.911666      3.327228
  C      -2.806719      0.182650      4.112541
  O      -3.527253      1.087182      4.582145
  C      -1.311928      0.321015      4.349359
  C      -2.908470     -2.223082      3.463626
  C      -7.469393      5.073571      1.269904
  C      -6.073482      4.992113      1.822847
  O      -5.199906      4.323990      1.265868
  C      -5.749399      5.723588      3.085179
  C      -6.719397      6.101783      4.028323
  C      -6.337456      6.610425      5.269230
  C      -4.983623      6.718405      5.563324
  F      -4.626052      7.173746      6.786725
  C      -3.986173      6.401264      4.630404
  C      -2.521706      6.371129      4.886241
  O      -1.710331      6.548855      3.986819
  C      -2.006269      5.943826      6.259987
  C      -4.402442      5.939684      3.380343
  C      -8.516131     -3.276529      2.954566
  C      -7.589872     -2.561627      3.908962
  O      -6.773467     -3.179527      4.584778
  C      -7.674306     -1.067319      4.000761
  C      -8.518021     -0.302803      3.176514
  C      -8.525114      1.086289      3.267917
  C      -7.675859      1.701307      4.179583
  F      -7.708761      3.058377      4.250159
  C      -6.824223      0.984124      5.029595
  C      -5.849163      1.576086      6.006509
  O      -5.467810      0.903126      6.954119
  C      -5.303314      2.988296      5.754262
  C      -6.855004     -0.410720      4.922754
  H      -3.191247     -6.771551      2.719777
  H      -4.737900     -5.860376      2.749159
  H      -3.690834     -5.765643      1.322868
  H      -5.013035     -3.846594      1.332541
  H      -5.820476     -1.509054      0.995166
  H      -0.911157      0.767066      3.417784
  H      -0.819922     -0.659672      4.467849
  H      -2.094378     -2.448632      4.153832
  H      -7.804126      6.118203      1.191737
  H      -8.167248      4.561806      1.951440
  H      -7.506283      4.587295      0.289624
  H      -7.780309      5.970225      3.815277
  H      -7.073392      6.904335      6.017737
  H      -1.417140      6.777831      6.681162
  H      -2.814615      5.691691      6.949547
  H      -3.636661      5.698809      2.645688
  H      -9.568733     -3.047506      3.179131
  H      -8.350182     -4.356009      3.031943
  H      -8.330366     -2.951088      1.918895
  H      -9.175453     -0.786903      2.454205
  H      -9.178934      1.697730      2.645732
  H      -6.069167      3.706333      6.108710
  H      -5.229078      3.145459      4.669702
  H      -6.200099     -0.998360      5.567209
  N      -2.140528      3.299158      3.675027
  N      -2.354128      3.625417      2.432269
  H      -0.546694      4.987969      5.237176
  H      -3.311666      3.687084      2.058795
  H      -1.572808      3.608153      1.778767
91
Coordinates from ORCA-job orca E -6562.706987859714
  N      -1.083716      1.216348      5.472809
  Mo     -2.293624      2.888413      5.411207
  N      -4.015844      3.242639      6.378686
  C      -4.064205      3.344206      7.846112
  C      -3.042108      2.393686      8.457668
  N      -1.727675      2.609352      7.805216
  C      -0.829457      1.430093      7.884833
  C      -1.117351      0.476356      6.742545
  C      -1.060809      3.828781      8.317744
  C      -0.249958      4.476652      7.213137
  N      -1.133925      4.757094      6.050715
  H      -0.350751     -0.319919      6.735241
  H      -2.092571     -0.030342      6.901009
  H       0.204285      1.790354      7.789259
  H      -0.927024      0.931792      8.864328
  H       0.226089      5.404205      7.570894
  H       0.538349      3.798880      6.856580
  H      -1.833385      4.524978      8.670799
  H      -0.419559      3.594793      9.184023
  H      -5.061522      3.079004      8.224509
  H      -3.875354      4.385399      8.174627
  H      -3.361308      1.366635      8.240859
  H      -2.963335      2.520545      9.552712
  C      -3.706725     -5.833672      2.414062
  C      -2.980999     -4.666024      3.033312
  O      -2.001004     -4.824832      3.752831
  C      -3.503257     -3.282383      2.771004
  C      -4.555987     -3.019572      1.880853
  C      -5.018744     -1.718731      1.690406
  C      -4.450439     -0.688417      2.424045
  F      -4.910905      0.563504      2.228292
  C      -3.387576     -0.905482      3.325972
  C      -2.808166      0.186264      4.113365
  O      -3.527416      1.091588      4.583360
  C      -1.313095      0.321799      4.351443
  C      -2.915437     -2.218470      3.460502
  C      -7.469772      5.048267      1.281566
  C      -6.071627      4.977287      1.830393
  O      -5.201190      4.295988      1.284515
  C      -5.747842      5.717028      3.087792
  C      -6.717847      6.100411      4.028783
  C      -6.336087      6.616392      5.266758
  C      -4.982242      6.725469      5.560351
  F      -4.624336      7.187829      6.781006
  C      -3.984931      6.403072      4.629024
  C      -2.520652      6.371311      4.886138
  O      -1.708024      6.555193      3.989202
  C      -2.007153      5.945040      6.261296
  C      -4.400949      5.935691      3.381222
  C      -8.505075     -3.281873      2.955503
  C      -7.580681     -2.565547      3.910625
  O      -6.764568     -3.182348      4.587823
  C      -7.665143     -1.070992      3.999622
  C      -8.506169     -0.307742      3.171429
  C      -8.512988      1.081557      3.260063
  C      -7.666423      1.698024      4.173245
  F      -7.697848      3.055324      4.240266
  C      -6.817800      0.982191      5.027288
  C      -5.844363      1.575927      6.004654
  O      -5.469776      0.907315      6.957991
  C      -5.301118      2.989322      5.752660
  C      -6.848494     -0.412860      4.922914
  H      -3.217126     -6.765240      2.715527
  H      -4.758577     -5.845059      2.739354
  H      -3.706995     -5.758431      1.315849
  H      -5.023460     -3.832538      1.325570
  H      -5.823781     -1.492201      0.991188
  H      -0.910571      0.766623      3.420051
  H      -0.823047     -0.659755      4.470666
  H      -2.102951     -2.447685      4.151341
  H      -7.806356      6.091197      1.189779
  H      -8.164636      4.545134      1.972595
  H      -7.509138      4.548201      0.308366
  H      -7.778735      5.966859      3.816750
  H      -7.072169      6.914407      6.013495
  H      -1.420038      6.779309      6.684783
  H      -2.817157      5.691392      6.948240
  H      -3.635222      5.690070      2.648131
  H      -9.558079     -3.051719      3.176951
  H      -8.339928     -4.361283      3.035444
  H      -8.316522     -2.958700      1.919612
  H      -9.161522     -0.793000      2.448004
  H      -9.164446      1.692062      2.634492
  H      -6.068332      3.706412      6.106227
  H      -5.226355      3.146094      4.668052
  H      -6.195461     -0.999459      5.570200
  N      -2.137123      3.299045      3.675088
  N      -2.355161      3.619450      2.431258
  H      -0.543214      4.990583      5.243766
  H      -3.313826      3.676393      2.060240
  H      -1.575361      3.604307      1.776006
91
Coordinates from ORCA-job orca E -6562.706961701839
  N      -1.103769      1.223539      5.468564
  Mo     -2.307613      2.900782      5.414029
  N      -4.028906      3.258370      6.382469
  C      -4.074316      3.359418      7.849839
  C      -3.056150      2.402693      8.458146
  N      -1.741658      2.612255      7.803439
  C      -0.849994      1.427715      7.880555
  C      -1.142082      0.478928      6.735256
  C      -1.067457      3.826191      8.319344
  C      -0.249964      4.470270      7.217832
  N      -1.129272      4.757815      6.053341
  H      -0.379378     -0.321070      6.725704
  H      -2.119974     -0.023287      6.891526
  H       0.185828      1.782496      7.786859
  H      -0.951361      0.927610      8.858692
  H       0.230470      5.394506      7.578247
  H       0.535212      3.788463      6.862091
  H      -1.835963      4.527074      8.671936
  H      -0.429724      3.585996      9.186485
  H      -5.072233      3.098820      8.229914
  H      -3.879638      4.399391      8.178716
  H      -3.381030      1.377704      8.240216
  H      -2.974353      2.527372      9.553198
  C      -3.774424     -5.806996      2.401844
  C      -3.034750     -4.646164      3.017167
  O      -2.061543     -4.814421      3.743747
  C      -3.544264     -3.258167      2.753868
  C      -4.592881     -2.986738      1.861504
  C      -5.045437     -1.682441      1.671230
  C      -4.472049     -0.657425      2.408153
  F      -4.922569      0.597972      2.212197
  C      -3.412659     -0.883020      3.312063
  C      -2.829429      0.203745      4.103713
  O      -3.546524      1.108603      4.576920
  C      -1.334141      0.334908      4.342895
  C      -2.949879     -2.199388      3.445671
  C      -7.446302      5.028156      1.281927
  C      -6.044254      4.980011      1.823431
  O      -5.168235      4.305749      1.277733
  C      -5.728099      5.717505      3.084008
  C      -6.702104      6.088446      4.025838
  C      -6.325581      6.602620      5.265903
  C      -4.972945      6.720593      5.561777
  F      -4.621468      7.181122      6.784936
  C      -3.971541      6.408879      4.630714
  C      -2.507220      6.382945      4.890151
  O      -1.693884      6.571149      3.994492
  C      -1.993553      5.952635      6.264119
  C      -4.383494      5.946473      3.379641
  C      -8.425889     -3.328760      2.985444
  C      -7.520957     -2.594781      3.945783
  O      -6.704614     -3.197213      4.635675
  C      -7.621591     -1.100236      4.019896
  C      -8.461651     -0.353484      3.175795
  C      -8.483857      1.036508      3.251246
  C      -7.653153      1.670558      4.167034
  F      -7.698213      3.028205      4.219626
  C      -6.806745      0.971518      5.037032
  C      -5.850092      1.583600      6.019516
  O      -5.468664      0.921604      6.974754
  C      -5.314131      2.998369      5.759551
  C      -6.821730     -0.424796      4.945415
  H      -3.294283     -6.743306      2.703844
  H      -4.825376     -5.805867      2.730922
  H      -3.777671     -5.733861      1.303582
  H      -5.065211     -3.795673      1.304489
  H      -5.847101     -1.449190      0.970346
  H      -0.930453      0.783468      3.413860
  H      -0.846210     -0.648244      4.457458
  H      -2.141332     -2.435518      4.138785
  H      -7.802889      6.064851      1.195734
  H      -8.127906      4.509519      1.974953
  H      -7.481808      4.530599      0.307321
  H      -7.761551      5.945892      3.812841
  H      -7.064692      6.891290      6.013327
  H      -1.399952      6.782522      6.686929
  H      -2.803341      5.703751      6.952620
  H      -3.615712      5.710489      2.645730
  H      -9.483904     -3.108761      3.192750
  H      -8.249603     -4.405584      3.075697
  H      -8.228676     -3.011404      1.949332
  H      -9.104413     -0.852258      2.450273
  H      -9.135148      1.634133      2.613188
  H      -6.083889      3.713799      6.111035
  H      -5.241185      3.150585      4.674178
  H      -6.169937     -0.998390      5.605488
  N      -2.147830      3.307703      3.676825
  N      -2.345955      3.605406      2.426311
  H      -0.533626      4.978066      5.244669
  H      -3.296927      3.697660      2.044416
  H      -1.552478      3.612685      1.788400
91
Coordinates from ORCA-job orca E -6562.707008037532
  N      -1.095128      1.218949      5.475247
  Mo     -2.301474      2.894071      5.416506
  N      -4.023549      3.249297      6.384136
  C      -4.070052      3.352451      7.851465
  C      -3.050054      2.399240      8.461996
  N      -1.735866      2.611128      7.807657
  C      -0.841282      1.429152      7.886800
  C      -1.131841      0.477287      6.743587
  C      -1.065504      3.828349      8.320756
  C      -0.250449      4.472836      7.217767
  N      -1.130457      4.754554      6.052430
  H      -0.367684     -0.321353      6.735778
  H      -2.108764     -0.026422      6.901110
  H       0.193621      1.786266      7.791863
  H      -0.940895      0.930614      8.865941
  H       0.227078      5.399505      7.575793
  H       0.536900      3.792694      6.863670
  H      -1.836276      4.527391      8.672086
  H      -0.426639      3.592396      9.188266
  H      -5.067661      3.090420      8.231288
  H      -3.877674      4.393359      8.178705
  H      -3.372411      1.373134      8.245674
  H      -2.969198      2.526029      9.556891
  C      -3.728034     -5.819153      2.394419
  C      -3.004434     -4.655817      3.024064
  O      -2.025490     -4.819363      3.743988
  C      -3.519756     -3.269908      2.760679
  C      -4.567715     -3.002309      1.866388
  C      -5.025759     -1.699789      1.676502
  C      -4.457834     -0.672678      2.414841
  F      -4.913179      0.580989      2.218554
  C      -3.399186     -0.894428      3.320606
  C      -2.819572      0.194432      4.112037
  O      -3.538526      1.098610      4.584289
  C      -1.324428      0.327704      4.351765
  C      -2.931273     -2.209016      3.454224
  C      -7.468597      5.036251      1.286514
  C      -6.068698      4.968074      1.831483
  O      -5.200625      4.282702      1.286957
  C      -5.741562      5.712629      3.085040
  C      -6.709870      6.103110      4.024836
  C      -6.325944      6.624361      5.259714
  C      -4.971638      6.731918      5.551638
  F      -4.612364      7.199824      6.769708
  C      -3.975445      6.401843      4.621532
  C      -2.510936      6.368165      4.878758
  O      -1.697720      6.549145      3.981630
  C      -1.998131      5.947946      6.256466
  C      -4.393853      5.929710      3.376225
  C      -8.468387     -3.301499      2.969975
  C      -7.549517     -2.576373      3.923757
  O      -6.731157     -3.186092      4.604704
  C      -7.645607     -1.082282      4.009892
  C      -8.489676     -0.326890      3.177619
  C      -8.506705      1.062558      3.263125
  C      -7.667097      1.687269      4.177170
  F      -7.708536      3.044500      4.240996
  C      -6.816443      0.979329      5.035731
  C      -5.851725      1.581553      6.016397
  O      -5.469495      0.913171      6.966838
  C      -5.309538      2.994689      5.760101
  C      -6.836809     -0.416174      4.934385
  H      -3.238569     -6.752686      2.689987
  H      -4.780337     -5.833340      2.718415
  H      -3.727031     -5.735942      1.296797
  H      -5.035331     -3.812822      1.307654
  H      -5.827116     -1.469514      0.974285
  H      -0.920357      0.774091      3.421872
  H      -0.835917     -0.654873      4.468985
  H      -2.122778     -2.442174      4.148400
  H      -7.808016      6.078199      1.194391
  H      -8.160219      4.532163      1.980267
  H      -7.509811      4.534696      0.314168
  H      -7.771150      5.969915      3.814826
  H      -7.060784      6.927358      6.005667
  H      -1.407206      6.781591      6.675617
  H      -2.808941      5.701050      6.944709
  H      -3.629939      5.677797      2.643390
  H      -9.523033     -3.075890      3.188171
  H      -8.297680     -4.379684      3.054631
  H      -8.279143     -2.981618      1.933170
  H      -9.139494     -0.818385      2.453413
  H      -9.160949      1.666876      2.634464
  H      -6.076537      3.711953      6.113659
  H      -5.236255      3.149710      4.675158
  H      -6.181934     -0.996634      5.585356
  N      -2.140988      3.297153      3.678608
  N      -2.343291      3.587494      2.426859
  H      -0.537016      4.975120      5.247983
  H      -3.295512      3.676178      2.046956
  H      -1.551050      3.597421      1.787292
91
Coordinates from ORCA-job orca E -6562.707015222345
  N      -1.093104      1.218976      5.479191
  Mo     -2.302737      2.892099      5.423886
  N      -4.023666      3.240364      6.395868
  C      -4.067436      3.344052      7.863322
  C      -3.043014      2.394228      8.471735
  N      -1.731215      2.609506      7.813662
  C      -0.833298      1.429888      7.890245
  C      -1.124743      0.477408      6.747850
  C      -1.062913      3.829225      8.323909
  C      -0.251521      4.474760      7.218415
  N      -1.134050      4.752362      6.053792
  H      -0.358941     -0.319642      6.738137
  H      -2.100198     -0.028306      6.908105
  H       0.200410      1.789559      7.792136
  H      -0.928761      0.931158      8.869709
  H       0.224092      5.403323      7.574011
  H       0.537043      3.796273      6.863909
  H      -1.834898      4.526581      8.676079
  H      -0.421456      3.596191      9.190359
  H      -5.063402      3.079178      8.245485
  H      -3.877362      4.385798      8.189304
  H      -3.363025      1.367105      8.256797
  H      -2.959460      2.521787      9.566328
  C      -3.684242     -5.824569      2.379546
  C      -2.974715     -4.657965      3.019275
  O      -1.988697     -4.815753      3.730796
  C      -3.499980     -3.274886      2.760189
  C      -4.551576     -3.011736      1.868818
  C      -5.019114     -1.711693      1.684123
  C      -4.455816     -0.682630      2.423480
  F      -4.921505      0.568321      2.233422
  C      -3.393687     -0.899970      3.326168
  C      -2.817818      0.190468      4.118245
  O      -3.539300      1.091227      4.593138
  C      -1.322386      0.327461      4.356223
  C      -2.917323     -2.211941      3.455506
  C      -7.468182      5.038703      1.275229
  C      -6.070986      4.960018      1.825691
  O      -5.204616      4.272248      1.281371
  C      -5.740962      5.708981      3.075654
  C      -6.708712      6.113052      4.010314
  C      -6.324236      6.640146      5.242634
  C      -4.969881      6.741258      5.536473
  F      -4.609213      7.214693      6.751926
  C      -3.974150      6.398036      4.610931
  C      -2.510593      6.360934      4.871868
  O      -1.694859      6.532693      3.975345
  C      -2.002743      5.945971      6.253358
  C      -4.392282      5.917791      3.368799
  C      -8.504271     -3.280811      2.961283
  C      -7.575324     -2.564030      3.911587
  O      -6.752646     -3.179816      4.581639
  C      -7.667751     -1.070558      4.009264
  C      -8.514419     -0.307128      3.187092
  C      -8.526049      1.081726      3.281532
  C      -7.678975      1.697623      4.194620
  F      -7.715604      3.054493      4.267387
  C      -6.825896      0.981396      5.043841
  C      -5.853759      1.574393      6.022889
  O      -5.475033      0.902483      6.972250
  C      -5.311089      2.988544      5.773334
  C      -6.851597     -0.413274      4.933556
  H      -3.181890     -6.754338      2.665213
  H      -4.735400     -5.856194      2.705574
  H      -3.686897     -5.731021      1.282728
  H      -5.014860     -3.823703      1.308551
  H      -5.824007     -1.484894      0.984809
  H      -0.920348      0.774281      3.425746
  H      -0.831848     -0.654248      4.472726
  H      -2.105697     -2.441665      4.147203
  H      -7.800254      6.082980      1.183080
  H      -8.165941      4.538234      1.965405
  H      -7.508748      4.538683      0.302038
  H      -7.770405      5.986049      3.798420
  H      -7.058807      6.953327      5.984618
  H      -1.413075      6.780578      6.672178
  H      -2.816763      5.700917      6.938988
  H      -3.628872      5.654964      2.639165
  H      -9.556393     -3.051449      3.187544
  H      -8.337706     -4.360122      3.039777
  H      -8.320448     -2.957112      1.924687
  H      -9.170115     -0.791684      2.463493
  H      -9.181861      1.692337      2.660623
  H      -6.077073      3.704366      6.131773
  H      -5.239719      3.148919      4.689104
  H      -6.194369     -1.000091      5.576396
  N      -2.148005      3.289882      3.684631
  N      -2.358282      3.553203      2.428134
  H      -0.543094      4.982410      5.236578
  H      -3.312532      3.649330      2.054179
  H      -1.565843      3.593546      1.789717
91
Coordinates from ORCA-job orca E -6562.707059610078
  N      -1.095719      1.222111      5.476958
  Mo     -2.304010      2.896384      5.424531
  N      -4.023770      3.243962      6.398707
  C      -4.066025      3.346170      7.866492
  C      -3.041211      2.395511      8.472967
  N      -1.729941      2.611082      7.813687
  C      -0.832485      1.430991      7.887937
  C      -1.126184      0.479508      6.744982
  C      -1.060804      3.830187      8.324282
  C      -0.250718      4.477254      7.218845
  N      -1.134025      4.755775      6.054997
  H      -0.360904     -0.318020      6.733668
  H      -2.101746     -0.025741      6.906047
  H       0.201253      1.790259      7.788685
  H      -0.926766      0.931344      8.867050
  H       0.224511      5.405731      7.575171
  H       0.538097      3.799743      6.863029
  H      -1.832341      4.527105      8.678277
  H      -0.418251      3.596235      9.189699
  H      -5.061736      3.081166      8.249274
  H      -3.875295      4.387544      8.193311
  H      -3.361805      1.368697      8.257291
  H      -2.956477      2.521911      9.567606
  C      -3.698403     -5.815933      2.374798
  C      -2.980222     -4.649738      3.005527
  O      -2.001696     -4.810094      3.726760
  C      -3.507333     -3.266354      2.752130
  C      -4.560969     -3.001276      1.863763
  C      -5.029177     -1.700896      1.683248
  C      -4.464656     -0.673574      2.424085
  F      -4.930978      0.577748      2.238097
  C      -3.400553     -0.892893      3.323947
  C      -2.823015      0.195942      4.117003
  O      -3.543538      1.096183      4.594243
  C      -1.327069      0.331804      4.353337
  C      -2.923897     -2.205103      3.449404
  C      -7.447687      5.035474      1.253652
  C      -6.051642      4.962670      1.807725
  O      -5.176487      4.292084      1.256038
  C      -5.732177      5.699601      3.067558
  C      -6.706065      6.082494      4.004739
  C      -6.329745      6.600594      5.243407
  C      -4.977135      6.713603      5.541012
  F      -4.623977      7.179402      6.761601
  C      -3.975966      6.390876      4.614008
  C      -2.512642      6.366582      4.877636
  O      -1.696871      6.546215      3.982753
  C      -2.004358      5.947658      6.257766
  C      -4.386397      5.919168      3.366116
  C      -8.498260     -3.286139      2.976666
  C      -7.569934     -2.566406      3.925358
  O      -6.749647     -3.180401      4.599999
  C      -7.662566     -1.072625      4.018498
  C      -8.507406     -0.311563      3.192236
  C      -8.519637      1.077543      3.282983
  C      -7.675015      1.696076      4.196565
  F      -7.712067      3.053144      4.265687
  C      -6.823660      0.982301      5.049564
  C      -5.853788      1.578151      6.029102
  O      -5.475964      0.908558      6.980471
  C      -5.311731      2.992115      5.777465
  C      -6.848638     -0.412664      4.942851
  H      -3.201561     -6.747012      2.665781
  H      -4.749363     -5.838836      2.702456
  H      -3.701981     -5.729401      1.277471
  H      -5.025068     -3.811921      1.302274
  H      -5.835462     -1.472532      0.986055
  H      -0.925863      0.779091      3.422750
  H      -0.837150     -0.650395      4.468335
  H      -2.110590     -2.436295      4.138637
  H      -7.789387      6.077703      1.174345
  H      -8.142863      4.519202      1.934651
  H      -7.480292      4.548217      0.273704
  H      -7.765951      5.946843      3.789089
  H      -7.069154      6.898186      5.986995
  H      -1.416554      6.781856      6.680027
  H      -2.818473      5.698656      6.941937
  H      -3.618881      5.673486      2.634857
  H      -9.550461     -3.054248      3.199895
  H      -8.333343     -4.365317      3.060263
  H      -8.312009     -2.967370      1.938968
  H      -9.161367     -0.798210      2.468477
  H      -9.174144      1.686338      2.658916
  H      -6.077360      3.708400      6.135861
  H      -5.241148      3.151324      4.693011
  H      -6.192816     -0.997584      5.588836
  N      -2.151428      3.293232      3.684477
  N      -2.362682      3.553098      2.427782
  H      -0.543661      4.982598      5.251125
  H      -3.316762      3.657435      2.055185
  H      -1.569809      3.603482      1.790654
91
Coordinates from ORCA-job orca E -6562.707094469192
  N      -1.097668      1.221493      5.479024
  Mo     -2.303297      2.897473      5.424637
  N      -4.023789      3.247244      6.396469
  C      -4.067385      3.351212      7.864013
  C      -3.044553      2.399620      8.472253
  N      -1.732465      2.612853      7.814008
  C      -0.836798      1.431580      7.889862
  C      -1.130745      0.479758      6.747325
  C      -1.062171      3.831166      8.324757
  C      -0.249964      4.476576      7.220124
  N      -1.131567      4.755086      6.055077
  H      -0.366680     -0.318950      6.737423
  H      -2.107271     -0.023853      6.907617
  H       0.197543      1.789333      7.791281
  H      -0.932659      0.932749      8.869229
  H       0.225515      5.404881      7.576539
  H       0.538730      3.798179      6.865722
  H      -1.833121      4.529349      8.677491
  H      -0.420964      3.596735      9.191034
  H      -5.063808      3.087970      8.246078
  H      -3.875510      4.392667      8.189859
  H      -3.366380      1.373079      8.257113
  H      -2.960659      2.526803      9.566861
  C      -3.707820     -5.812224      2.370266
  C      -2.990501     -4.648281      3.006067
  O      -2.014380     -4.811223      3.729984
  C      -3.512978     -3.263582      2.750586
  C      -4.562391     -2.995970      1.858031
  C      -5.026393     -1.694444      1.675313
  C      -4.462417     -0.668521      2.418456
  F      -4.923470      0.584131      2.228791
  C      -3.402324     -0.890328      3.322473
  C      -2.824650      0.197418      4.117093
  O      -3.544809      1.098307      4.593540
  C      -1.328823      0.331228      4.355547
  C      -2.929297     -2.203687      3.449722
  C      -7.451886      5.019950      1.264950
  C      -6.054075      4.952588      1.815286
  O      -5.181868      4.272934      1.270135
  C      -5.732721      5.695385      3.071191
  C      -6.705226      6.083393      4.007676
  C      -6.327046      6.606528      5.243586
  C      -4.974008      6.718738      5.539569
  F      -4.619564      7.190599      6.757451
  C      -3.973979      6.390549      4.613029
  C      -2.510344      6.363940      4.875427
  O      -1.694951      6.544246      3.980271
  C      -2.001260      5.947631      6.256083
  C      -4.386486      5.915114      3.367239
  C      -8.485231     -3.287779      2.974349
  C      -7.560164     -2.566311      3.924897
  O      -6.734055     -3.177947      4.594601
  C      -7.657049     -1.072821      4.018950
  C      -8.505082     -0.313853      3.194028
  C      -8.521459      1.075181      3.285554
  C      -7.677601      1.695831      4.198422
  F      -7.718714      3.052756      4.268405
  C      -6.823165      0.984147      5.050056
  C      -5.854222      1.582266      6.029028
  O      -5.472913      0.912656      6.978987
  C      -5.311501      2.995537      5.774766
  C      -6.844055     -0.410850      4.942695
  H      -3.213717     -6.744603      2.661750
  H      -4.760183     -5.833873      2.693607
  H      -3.706746     -5.723838      1.273081
  H      -5.026223     -3.805497      1.294711
  H      -5.828955     -1.464062      0.974506
  H      -0.925609      0.777438      3.425333
  H      -0.840620     -0.651677      4.471640
  H      -2.119244     -2.436870      4.142060
  H      -7.794172      6.061315      1.177297
  H      -8.144833      4.509613      1.952731
  H      -7.487378      4.523848      0.289566
  H      -7.765459      5.947711      3.793862
  H      -7.065367      6.908283      5.986585
  H      -1.413187      6.782412      6.676865
  H      -2.814897      5.699851      6.940980
  H      -3.620216      5.665288      2.636119
  H      -9.538433     -3.060996      3.197972
  H      -8.315563     -4.366418      3.055303
  H      -8.300200     -2.965709      1.937416
  H      -9.158350     -0.802103      2.470721
  H      -9.178550      1.682308      2.662579
  H      -6.076799      3.712789      6.132009
  H      -5.240432      3.153095      4.690102
  H      -6.185814     -0.994107      5.587729
  N      -2.148270      3.290871      3.683847
  N      -2.357725      3.540115      2.425069
  H      -0.537852      4.978676      5.251052
  H      -3.310390      3.653227      2.052031
  H      -1.563170      3.601938      1.791297
91
Coordinates from ORCA-job orca E -6562.707108896992
  N      -1.101050      1.219496      5.482449
  Mo     -2.301244      2.898676      5.426709
  N      -4.022846      3.249477      6.394985
  C      -4.069711      3.355240      7.862157
  C      -3.048499      2.403469      8.472865
  N      -1.735457      2.614735      7.816138
  C      -0.841341      1.432391      7.893177
  C      -1.136141      0.479642      6.751750
  C      -1.064109      3.832370      8.327231
  C      -0.249636      4.476801      7.223521
  N      -1.128969      4.754490      6.056469
  H      -0.373552     -0.320489      6.743535
  H      -2.113710     -0.021926      6.912032
  H       0.193431      1.788797      7.793973
  H      -0.937625      0.934815      8.873142
  H       0.225045      5.405408      7.580214
  H       0.539800      3.798242      6.871089
  H      -1.834522      4.531587      8.679006
  H      -0.424104      3.597492      9.194284
  H      -5.066991      3.092738      8.242395
  H      -3.878142      4.396967      8.187249
  H      -3.370959      1.377022      8.258289
  H      -2.966056      2.531590      9.567469
  C      -3.726175     -5.805117      2.359697
  C      -3.005852     -4.644663      2.998326
  O      -2.031918     -4.811966      3.724228
  C      -3.524502     -3.258261      2.745147
  C      -4.572399     -2.986571      1.852149
  C      -5.033108     -1.683707      1.671299
  C      -4.467327     -0.660530      2.416759
  F      -4.925272      0.593447      2.228919
  C      -3.408264     -0.886341      3.320937
  C      -2.829298      0.198934      4.118336
  O      -3.548584      1.100514      4.594006
  C      -1.333322      0.328966      4.359507
  C      -2.938619     -2.201034      3.446529
  C      -7.457822      5.019162      1.274768
  C      -6.058581      4.953297      1.821528
  O      -5.188774      4.268677      1.278996
  C      -5.733889      5.699465      3.074596
  C      -6.704080      6.092025      4.011527
  C      -6.322733      6.617506      5.245370
  C      -4.968987      6.726931      5.539108
  F      -4.612010      7.201842      6.755054
  C      -3.970951      6.393499      4.612134
  C      -2.507187      6.361871      4.873246
  O      -1.691818      6.540375      3.977600
  C      -1.998673      5.947321      6.254620
  C      -4.386788      5.916932      3.367904
  C      -8.463959     -3.302450      2.985230
  C      -7.542588     -2.575579      3.935220
  O      -6.724038     -3.184188      4.616978
  C      -7.639853     -1.081477      4.020245
  C      -8.481107     -0.326932      3.184340
  C      -8.498028      1.062655      3.268029
  C      -7.661776      1.688311      4.184506
  F      -7.701793      3.045743      4.245691
  C      -6.814413      0.981172      5.046831
  C      -5.852211      1.584648      6.028862
  O      -5.477434      0.920622      6.985294
  C      -5.309186      2.997121      5.771002
  C      -6.834252     -0.414412      4.946833
  H      -3.236048     -6.739654      2.650988
  H      -4.779329     -5.823186      2.681039
  H      -3.722620     -5.715371      1.262631
  H      -5.037817     -3.794055      1.287186
  H      -5.834700     -1.450192      0.970422
  H      -0.927359      0.772653      3.429335
  H      -0.848421     -0.655321      4.477426
  H      -2.130122     -2.437466      4.139473
  H      -7.798963      6.060461      1.181887
  H      -8.149576      4.513852      1.967528
  H      -7.496762      4.517346      0.302457
  H      -7.764938      5.958044      3.799835
  H      -7.059158      6.922661      5.988861
  H      -1.411714      6.782782      6.675777
  H      -2.812886      5.700017      6.938784
  H      -3.622775      5.663084      2.635865
  H      -9.517817     -3.068438      3.197876
  H      -8.299898     -4.380969      3.078368
  H      -8.268875     -2.991897      1.946602
  H      -9.128366     -0.819089      2.458297
  H      -9.149590      1.666442      2.636065
  H      -6.074996      3.716019      6.123974
  H      -5.235188      3.150789      4.685891
  H      -6.181179     -0.994037      5.600327
  N      -2.147995      3.285482      3.683995
  N      -2.369276      3.508237      2.422185
  H      -0.530240      4.979237      5.240982
  H      -3.323363      3.643554      2.060693
  H      -1.578969      3.607434      1.787885
91
Coordinates from ORCA-job orca E -6562.707031557655
  N      -1.106450      1.222013      5.483607
  Mo     -2.307486      2.901061      5.433247
  N      -4.027162      3.248198      6.406091
  C      -4.069908      3.353426      7.873518
  C      -3.046203      2.402254      8.480481
  N      -1.735358      2.615220      7.819587
  C      -0.840290      1.433313      7.893598
  C      -1.138180      0.481017      6.752140
  C      -1.064303      3.833484      8.329593
  C      -0.250886      4.477979      7.225208
  N      -1.129220      4.754178      6.056798
  H      -0.375449     -0.318973      6.741353
  H      -2.115282     -0.020741      6.914684
  H       0.194064      1.790237      7.791870
  H      -0.933805      0.935055      8.873488
  H       0.223180      5.407177      7.581140
  H       0.539127      3.799744      6.873485
  H      -1.834872      4.532350      8.681919
  H      -0.423385      3.599192      9.196148
  H      -5.065972      3.090400      8.256572
  H      -3.877623      4.395149      8.198275
  H      -3.368444      1.375693      8.266303
  H      -2.960272      2.529907      9.574860
  C      -3.711768     -5.801249      2.343517
  C      -2.998844     -4.639744      2.988761
  O      -2.021135     -4.804972      3.710055
  C      -3.523114     -3.254519      2.740261
  C      -4.573738     -2.983883      1.850100
  C      -5.039636     -1.682071      1.674358
  C      -4.475482     -0.658882      2.421245
  F      -4.939162      0.593846      2.238952
  C      -3.414028     -0.883702      3.322812
  C      -2.836376      0.201384      4.121792
  O      -3.556675      1.099636      4.602073
  C      -1.339994      0.333383      4.359682
  C      -2.939858     -2.197191      3.443735
  C      -7.451232      5.004340      1.268603
  C      -6.051940      4.941630      1.815475
  O      -5.181183      4.257440      1.273804
  C      -5.727462      5.692973      3.065544
  C      -6.698195      6.092362      3.999083
  C      -6.317459      6.623385      5.230669
  C      -4.963892      6.731859      5.525732
  F      -4.607811      7.210933      6.740244
  C      -3.965077      6.391439      4.602133
  C      -2.501577      6.360107      4.865253
  O      -1.685024      6.529128      3.968783
  C      -1.995330      5.950651      6.248979
  C      -4.380340      5.908730      3.360053
  C      -8.465135     -3.296802      2.981291
  C      -7.545013     -2.572055      3.934126
  O      -6.721585     -3.181163      4.609421
  C      -7.644278     -1.078534      4.024650
  C      -8.487511     -0.322036      3.192560
  C      -8.505772      1.067218      3.281103
  C      -7.668598      1.690518      4.198343
  F      -7.709876      3.047716      4.264426
  C      -6.819462      0.981206      5.057104
  C      -5.856461      1.582342      6.039653
  O      -5.481748      0.916833      6.995074
  C      -5.314772      2.995818      5.784666
  C      -6.838130     -0.413964      4.952458
  H      -3.213995     -6.734011      2.627454
  H      -4.763856     -5.829670      2.667179
  H      -3.711623     -5.704144      1.247074
  H      -5.037313     -3.791295      1.283520
  H      -5.843878     -1.449406      0.976227
  H      -0.936399      0.778463      3.429246
  H      -0.854111     -0.650781      4.475237
  H      -2.129085     -2.432787      4.134374
  H      -7.795084      6.044665      1.175268
  H      -8.141531      4.497495      1.961718
  H      -7.489078      4.501821      0.296600
  H      -7.758999      5.959275      3.786694
  H      -7.054295      6.933556      5.971670
  H      -1.405673      6.786357      6.665689
  H      -2.810442      5.709165      6.934312
  H      -3.616219      5.649877      2.629853
  H      -9.519456     -3.065722      3.194687
  H      -8.298817     -4.375368      3.069849
  H      -8.270361     -2.981587      1.943971
  H      -9.135188     -0.812360      2.465643
  H      -9.158931      1.672488      2.652207
  H      -6.080357      3.713252      6.140953
  H      -5.242940      3.152202      4.699897
  H      -6.183474     -0.995177      5.602949
  N      -2.158783      3.279634      3.687640
  N      -2.374704      3.476184      2.421568
  H      -0.536450      4.965068      5.261093
  H      -3.323752      3.644508      2.060337
  H      -1.579249      3.612108      1.800662
91
Coordinates from ORCA-job orca E -6562.707175545194
  N      -1.099411      1.221421      5.483034
  Mo     -2.303546      2.898054      5.432318
  N      -4.022675      3.243780      6.406473
  C      -4.064834      3.348614      7.873837
  C      -3.039852      2.398236      8.480262
  N      -1.729565      2.613222      7.819266
  C      -0.831895      1.433273      7.892792
  C      -1.128346      0.480543      6.751876
  C      -1.060601      3.832872      8.328781
  C      -0.250554      4.480034      7.222983
  N      -1.131706      4.755437      6.056610
  H      -0.363786     -0.317680      6.740469
  H      -2.104163     -0.023412      6.915270
  H       0.201557      1.792496      7.790131
  H      -0.923464      0.934865      8.872808
  H       0.222409      5.409870      7.578727
  H       0.540147      3.803619      6.869323
  H      -1.832253      4.529726      8.682843
  H      -0.417603      3.599689      9.194095
  H      -5.060446      3.084581      8.257363
  H      -3.873428      4.390486      8.198735
  H      -3.360812      1.371237      8.266033
  H      -2.954003      2.525846      9.574640
  C      -3.693066     -5.811525      2.358090
  C      -2.981238     -4.646946      2.999130
  O      -2.004327     -4.808793      3.722232
  C      -3.507462     -3.263029      2.746920
  C      -4.557270     -2.995761      1.854731
  C      -5.024670     -1.694907      1.675407
  C      -4.463214     -0.669250      2.421075
  F      -4.928736      0.582348      2.235740
  C      -3.403000     -0.890821      3.324928
  C      -2.827684      0.196445      4.122633
  O      -3.549620      1.093613      4.602723
  C      -1.331653      0.331219      4.360100
  C      -2.926860     -2.203314      3.448994
  C      -7.446176      5.014520      1.253704
  C      -6.048952      4.947979      1.805180
  O      -5.175523      4.269355      1.260814
  C      -5.728994      5.690743      3.061685
  C      -6.702515      6.080824      3.996318
  C      -6.325386      6.604863      5.232110
  C      -4.972624      6.716511      5.529805
  F      -4.619720      7.188694      6.747945
  C      -3.971431      6.385878      4.605435
  C      -2.508204      6.359700      4.869310
  O      -1.692115      6.530752      3.972841
  C      -2.000750      5.948849      6.251831
  C      -4.383074      5.908163      3.360204
  C      -8.489291     -3.275167      2.965929
  C      -7.566219     -2.557827      3.921539
  O      -6.730267     -3.170346      4.577998
  C      -7.663912     -1.064964      4.022529
  C      -8.514334     -0.302862      3.203031
  C      -8.530741      1.085758      3.300228
  C      -7.684255      1.702777      4.213090
  F      -7.725662      3.059393      4.289240
  C      -6.827637      0.987709      5.059678
  C      -5.856333      1.582100      6.038435
  O      -5.475383      0.910579      6.987194
  C      -5.311347      2.994726      5.785524
  C      -6.848629     -0.406764      4.946850
  H      -3.196007     -6.742970      2.647532
  H      -4.745861     -5.838303      2.679287
  H      -3.690248     -5.719636      1.261187
  H      -5.018696     -3.805021      1.289034
  H      -5.827945     -1.464841      0.975311
  H      -0.929017      0.776106      3.429156
  H      -0.844012     -0.651978      4.476685
  H      -2.116339     -2.436113      4.140952
  H      -7.788795      6.055700      1.165368
  H      -8.139356      4.504236      1.941242
  H      -7.480835      4.517954      0.278514
  H      -7.762595      5.946289      3.781065
  H      -7.064303      6.907976      5.973963
  H      -1.412925      6.785760      6.668863
  H      -2.814661      5.704342      6.937860
  H      -3.616635      5.657221      2.629561
  H      -9.543176     -3.052370      3.189956
  H      -8.316793     -4.353889      3.039567
  H      -8.303850     -2.945786      1.931280
  H      -9.169017     -0.788318      2.479107
  H      -9.189497      1.695304      2.681383
  H      -6.074865      3.712955      6.144445
  H      -5.240650      3.153338      4.701115
  H      -6.188305     -0.992455      5.587527
  N      -2.159284      3.277560      3.687001
  N      -2.388703      3.476828      2.422091
  H      -0.540102      4.979633      5.245177
  H      -3.342931      3.635031      2.068743
  H      -1.600396      3.612674      1.791319
91
Coordinates from ORCA-job orca E -6562.707211817068
  N      -1.102453      1.219422      5.486276
  Mo     -2.300571      2.899878      5.431518
  N      -4.022005      3.248624      6.399822
  C      -4.068243      3.355159      7.867141
  C      -3.046096      2.404015      8.477517
  N      -1.733628      2.615542      7.819540
  C      -0.839087      1.433593      7.895975
  C      -1.135772      0.480070      6.755697
  C      -1.062733      3.834012      8.329589
  C      -0.249854      4.479344      7.225182
  N      -1.129220      4.755241      6.057630
  H      -0.373173     -0.320054      6.746942
  H      -2.113146     -0.021371      6.917534
  H       0.195349      1.790347      7.794518
  H      -0.933330      0.936624      8.876471
  H       0.223519      5.408836      7.581288
  H       0.540609      3.801844      6.873056
  H      -1.833453      4.532524      8.682203
  H      -0.421492      3.600005      9.195987
  H      -5.065210      3.092473      8.248034
  H      -3.876806      4.397158      8.191512
  H      -3.368439      1.377375      8.263626
  H      -2.962781      2.532600      9.571990
  C      -3.721627     -5.802134      2.349781
  C      -3.003603     -4.642471      2.992536
  O      -2.030089     -4.810625      3.718807
  C      -3.522005     -3.255815      2.740396
  C      -4.568675     -2.983036      1.846281
  C      -5.029914     -1.680083      1.667313
  C      -4.465801     -0.657895      2.415515
  F      -4.925351      0.595844      2.230336
  C      -3.407878     -0.884833      3.320724
  C      -2.830609      0.199366      4.121132
  O      -3.551186      1.098423      4.599184
  C      -1.334650      0.329088      4.363390
  C      -2.937742     -2.199487      3.444505
  C      -7.455136      5.022718      1.261978
  C      -6.057812      4.950121      1.812403
  O      -5.186165      4.271966      1.264768
  C      -5.733477      5.692260      3.068038
  C      -6.704230      6.084050      4.004775
  C      -6.323524      6.607844      5.239514
  C      -4.969940      6.717485      5.533993
  F      -4.613577      7.190967      6.750597
  C      -3.971359      6.385011      4.607433
  C      -2.507822      6.356325      4.868789
  O      -1.692754      6.528874      3.971652
  C      -1.999065      5.948191      6.251806
  C      -4.386518      5.907786      3.363168
  C      -8.467266     -3.298632      2.988841
  C      -7.541603     -2.571886      3.934758
  O      -6.719189     -3.180401      4.611873
  C      -7.642040     -1.078283      4.024414
  C      -8.487014     -0.323212      3.192798
  C      -8.505729      1.066144      3.279497
  C      -7.667587      1.691000      4.194733
  F      -7.710146      3.048214      4.259763
  C      -6.816909      0.983248      5.053280
  C      -5.853419      1.585932      6.034588
  O      -5.478052      0.921473      6.990485
  C      -5.309004      2.997897      5.776273
  C      -6.835028     -0.412124      4.950406
  H      -3.231776     -6.736954      2.640637
  H      -4.775585     -5.821379      2.668242
  H      -3.715174     -5.710349      1.252883
  H      -5.032756     -3.789743      1.279114
  H      -5.830758     -1.445711      0.965860
  H      -0.927738      0.771804      3.433283
  H      -0.850727     -0.655634      4.482140
  H      -2.130149     -2.436770      4.138260
  H      -7.793603      6.065391      1.174836
  H      -8.149958      4.514634      1.949543
  H      -7.492454      4.527250      0.286346
  H      -7.764996      5.951035      3.791967
  H      -7.060269      6.912347      5.982955
  H      -1.412552      6.786101      6.668824
  H      -2.812943      5.703359      6.937591
  H      -3.622361      5.655148      2.630730
  H      -9.520284     -3.064500      3.205392
  H      -8.302790     -4.377169      3.081129
  H      -8.275923     -2.988059      1.949512
  H      -9.135527     -0.814767      2.467456
  H      -9.160162      1.670279      2.650842
  H      -6.073617      3.717592      6.130022
  H      -5.235372      3.151526      4.691212
  H      -6.179037     -0.992162      5.600595
  N      -2.148118      3.277142      3.685911
  N      -2.373890      3.466765      2.419012
  H      -0.532839      4.976245      5.250437
  H      -3.325758      3.638531      2.065818
  H      -1.584277      3.620733      1.793990
91
Coordinates from ORCA-job orca E -6562.707209173146
  N      -1.104009      1.217712      5.488264
  Mo     -2.301629      2.898098      5.435048
  N      -4.022087      3.245712      6.404768
  C      -4.067363      3.352742      7.872039
  C      -3.043813      2.402813      8.481439
  N      -1.732483      2.615550      7.821636
  C      -0.836748      1.434371      7.897386
  C      -1.134755      0.479480      6.758331
  C      -1.062357      3.834955      8.330449
  C      -0.250413      4.480160      7.225195
  N      -1.129503      4.754128      6.056860
  H      -0.371670     -0.320179      6.749047
  H      -2.111566     -0.022388      6.922194
  H       0.197184      1.791979      7.793645
  H      -0.928687      0.938164      8.878493
  H       0.222083      5.410437      7.580421
  H       0.540776      3.803128      6.873796
  H      -1.833415      4.533054      8.683212
  H      -0.420318      3.602012      9.196535
  H      -5.063796      3.089503      8.253908
  H      -3.876294      4.394965      8.195827
  H      -3.365442      1.375822      8.268287
  H      -2.959287      2.531899      9.575752
  C      -3.709526     -5.804024      2.342053
  C      -2.994984     -4.643237      2.986827
  O      -2.018643     -4.809617      3.709708
  C      -3.518749     -3.257714      2.739312
  C      -4.568365     -2.986067      1.848299
  C      -5.034053     -1.684094      1.673507
  C      -4.470849     -0.661725      2.422268
  F      -4.934937      0.590940      2.241286
  C      -3.410089     -0.887546      3.324384
  C      -2.833369      0.196751      4.125380
  O      -3.554348      1.094322      4.605357
  C      -1.337217      0.327255      4.365816
  C      -2.936157     -2.201151      3.444489
  C      -7.460051      5.016823      1.267460
  C      -6.061491      4.946953      1.814973
  O      -5.192068      4.262991      1.271108
  C      -5.734371      5.694729      3.066618
  C      -6.703453      6.095078      4.001475
  C      -6.320456      6.623832      5.233322
  C      -4.966406      6.729378      5.527239
  F      -4.608311      7.207715      6.741410
  C      -3.969129      6.387918      4.602438
  C      -2.505605      6.354670      4.863637
  O      -1.690110      6.519931      3.965437
  C      -1.997921      5.948658      6.247686
  C      -4.386619      5.906552      3.360507
  C      -8.468986     -3.293081      2.981784
  C      -7.547309     -2.568781      3.933451
  O      -6.726802     -3.178813      4.611465
  C      -7.644017     -1.074963      4.022311
  C      -8.484037     -0.317777      3.187615
  C      -8.499820      1.071622      3.274483
  C      -7.663506      1.694291      4.192877
  F      -7.702165      3.051679      4.257486
  C      -6.817507      0.984339      5.054163
  C      -5.855587      1.584840      6.038117
  O      -5.483752      0.919700      6.994894
  C      -5.309420      2.996346      5.781440
  C      -6.838454     -0.410912      4.951029
  H      -3.215332     -6.737646      2.629388
  H      -4.762797     -5.828607      2.662161
  H      -3.705278     -5.709099      1.245405
  H      -5.031286     -3.792890      1.280343
  H      -5.837509     -1.450600      0.974749
  H      -0.931378      0.769444      3.435033
  H      -0.853254     -0.657471      4.484526
  H      -2.125955     -2.437460      4.135553
  H      -7.797706      6.059181      1.173629
  H      -8.153689      4.514441      1.960439
  H      -7.500284      4.514356      0.295537
  H      -7.764741      5.964975      3.789599
  H      -7.055837      6.935042      5.975336
  H      -1.410295      6.786851      6.662542
  H      -2.812003      5.706846      6.934159
  H      -3.623781      5.647255      2.629046
  H      -9.522772     -3.057023      3.192245
  H      -8.307053     -4.371991      3.074217
  H      -8.270824     -2.982210      1.943781
  H      -9.131100     -0.807725      2.459896
  H      -9.150447      1.677410      2.643470
  H      -6.073287      3.716615      6.135555
  H      -5.235387      3.150560      4.696485
  H      -6.186178     -0.992596      5.603475
  N      -2.154299      3.269160      3.687424
  N      -2.388346      3.439227      2.418609
  H      -0.534655      4.969291      5.253388
  H      -3.340098      3.631653      2.075611
  H      -1.603107      3.626345      1.796867
91
Coordinates from ORCA-job orca E -6562.707242729654
  N      -1.101795      1.214542      5.489759
  Mo     -2.298252      2.895025      5.434533
  N      -4.019008      3.243198      6.402847
  C      -4.066080      3.350883      7.869987
  C      -3.042519      2.402067      8.480774
  N      -1.730935      2.615434      7.822020
  C      -0.834261      1.434983      7.898838
  C      -1.131614      0.478276      6.761042
  C      -1.061959      3.835677      8.330298
  C      -0.250809      4.481169      7.224497
  N      -1.130340      4.754223      6.056270
  H      -0.367851     -0.320741      6.752759
  H      -2.107934     -0.024268      6.925686
  H       0.199304      1.793419      7.794248
  H      -0.925308      0.939875      8.880603
  H       0.221197      5.411857      7.579339
  H       0.540782      3.804554      6.873177
  H      -1.833564      4.533187      8.683086
  H      -0.419427      3.603671      9.196260
  H      -5.062686      3.086904      8.250850
  H      -3.876310      4.393388      8.193621
  H      -3.363264      1.374715      8.267907
  H      -2.959235      2.531822      9.575091
  C      -3.710937     -5.807830      2.345937
  C      -2.995579     -4.647187      2.990153
  O      -2.017244     -4.813599      3.710318
  C      -3.518549     -3.261417      2.742202
  C      -4.568334     -2.989487      1.851447
  C      -5.033280     -1.687307      1.676274
  C      -4.469155     -0.664930      2.424368
  F      -4.933034      0.587771      2.243500
  C      -3.408271     -0.891076      3.326264
  C      -2.831249      0.193063      4.127314
  O      -3.551980      1.091284      4.606391
  C      -1.335195      0.322551      4.368485
  C      -2.935049     -2.204890      3.446693
  C      -7.466852      5.022805      1.272927
  C      -6.067822      4.951833      1.819023
  O      -5.200063      4.264931      1.276341
  C      -5.738423      5.700827      3.069449
  C      -6.705934      6.104857      4.004360
  C      -6.320880      6.634229      5.235330
  C      -4.966387      6.736685      5.528343
  F      -4.606162      7.214898      6.741940
  C      -3.970606      6.391554      4.603352
  C      -2.507125      6.354823      4.863633
  O      -1.691831      6.516072      3.964518
  C      -1.999607      5.948004      6.247435
  C      -4.390035      5.909596      3.362273
  C      -8.466978     -3.292094      2.975489
  C      -7.548664     -2.568961      3.931288
  O      -6.729084     -3.179604      4.609858
  C      -7.642623     -1.074878      4.018409
  C      -8.479302     -0.316906      3.181072
  C      -8.492983      1.072588      3.266831
  C      -7.657748      1.694485      4.186705
  F      -7.693995      3.052021      4.250122
  C      -6.814814      0.983772      5.050365
  C      -5.853550      1.583605      6.035326
  O      -5.485424      0.919571      6.994282
  C      -5.305832      2.994438      5.778286
  C      -6.837895     -0.411515      4.948344
  H      -3.217834     -6.741711      2.634295
  H      -4.764516     -5.831108      2.664923
  H      -3.705405     -5.713699      1.249190
  H      -5.031930     -3.796281      1.284003
  H      -5.836902     -1.453605      0.977774
  H      -0.928347      0.762853      3.437235
  H      -0.852277     -0.662440      4.489174
  H      -2.124674     -2.441374      4.137514
  H      -7.801233      6.065824      1.174493
  H      -8.161364      4.526111      1.969093
  H      -7.509718      4.515955      0.303401
  H      -7.767658      5.977127      3.793246
  H      -7.054986      6.948134      5.977474
  H      -1.412438      6.786520      6.662351
  H      -2.813524      5.705995      6.934009
  H      -3.628111      5.647262      2.630932
  H      -9.521467     -3.055959      3.182268
  H      -8.305672     -4.371132      3.067511
  H      -8.264910     -2.980315      1.938496
  H      -9.125477     -0.806372      2.452243
  H      -9.141029      1.678990      2.633760
  H      -6.069439      3.715750      6.130767
  H      -5.230311      3.147402      4.693252
  H      -6.188036     -0.993821      5.602643
  N      -2.152315      3.265223      3.686768
  N      -2.399922      3.429926      2.417938
  H      -0.535185      4.974424      5.244815
  H      -3.355276      3.624907      2.086010
  H      -1.622601      3.632233      1.790392
91
Coordinates from ORCA-job orca E -6562.707251603432
  N      -1.099636      1.214673      5.491232
  Mo     -2.294956      2.895720      5.433704
  N      -4.016513      3.244384      6.400124
  C      -4.064950      3.353066      7.867188
  C      -3.042358      2.404139      8.479484
  N      -1.730064      2.616797      7.822067
  C      -0.833803      1.436152      7.900161
  C      -1.130580      0.478989      6.762710
  C      -1.061380      3.837108      8.330507
  C      -0.250072      4.482690      7.224907
  N      -1.129385      4.755601      6.056534
  H      -0.366860     -0.320074      6.755425
  H      -2.107044     -0.023439      6.926787
  H       0.199912      1.794252      7.796008
  H      -0.925578      0.941554      8.882121
  H       0.221722      5.413436      7.579857
  H       0.541697      3.806184      6.873798
  H      -1.833234      4.534536      8.682989
  H      -0.419111      3.605287      9.196726
  H      -5.061984      3.089451      8.247135
  H      -3.875290      4.395776      8.190350
  H      -3.363251      1.376750      8.266705
  H      -2.960236      2.534300      9.573826
  C      -3.718137     -5.807268      2.352540
  C      -2.999431     -4.647538      2.994670
  O      -2.026373     -4.815968      3.721479
  C      -3.516759     -3.260587      2.741704
  C      -4.561235     -2.986991      1.845226
  C      -5.021079     -1.683669      1.665293
  C      -4.458184     -0.661835      2.415068
  F      -4.917082      0.591906      2.229299
  C      -3.402821     -0.889748      3.323012
  C      -2.827069      0.193810      4.125785
  O      -3.548510      1.091964      4.603987
  C      -1.331439      0.322221      4.370129
  C      -2.933593     -2.204630      3.447316
  C      -7.464262      5.021047      1.266224
  C      -6.066250      4.947828      1.814564
  O      -5.196380      4.266427      1.268402
  C      -5.738971      5.691910      3.068607
  C      -6.707579      6.089525      4.005180
  C      -6.324022      6.615558      5.238084
  C      -4.969790      6.722007      5.530942
  F      -4.610604      7.197213      6.746010
  C      -3.973183      6.383513      4.604474
  C      -2.509617      6.351499      4.864118
  O      -1.695132      6.517674      3.965188
  C      -2.000378      5.947660      6.247987
  C      -4.391213      5.903267      3.362248
  C      -8.468695     -3.286530      2.972720
  C      -7.544597     -2.563623      3.923112
  O      -6.715581     -3.173624      4.590692
  C      -7.645259     -1.070475      4.018857
  C      -8.492291     -0.312453      3.192076
  C      -8.511181      1.076548      3.284082
  C      -7.670774      1.697969      4.199517
  F      -7.714010      3.054924      4.270607
  C      -6.817901      0.987126      5.053331
  C      -5.852141      1.586519      6.034352
  O      -5.477506      0.920738      6.989579
  C      -5.303505      2.996744      5.775297
  C      -6.836171     -0.407821      4.945517
  H      -3.231791     -6.742508      2.647884
  H      -4.773513     -5.823034      2.666041
  H      -3.706246     -5.718426      1.255398
  H      -5.024223     -3.793297      1.276591
  H      -5.819932     -1.448598      0.961810
  H      -0.922228      0.761580      3.439500
  H      -0.849569     -0.663078      4.492534
  H      -2.127378     -2.442403      4.142557
  H      -7.798398      6.064543      1.171937
  H      -8.160102      4.521256      1.958715
  H      -7.505223      4.518768      0.294237
  H      -7.768939      5.959430      3.793614
  H      -7.058964      6.924429      5.981515
  H      -1.414746      6.787939      6.661628
  H      -2.813421      5.704532      6.935367
  H      -3.628532      5.646029      2.629790
  H      -9.522294     -3.056855      3.191043
  H      -8.301039     -4.365188      3.057594
  H      -8.278420     -2.968449      1.935417
  H      -9.142225     -0.801494      2.466303
  H      -9.167199      1.682894      2.659228
  H      -6.066238      3.718892      6.127953
  H      -5.228276      3.149044      4.690238
  H      -6.178393     -0.990235      5.591760
  N      -2.145628      3.264587      3.685942
  N      -2.394807      3.421208      2.415530
  H      -0.534450      4.977424      5.247668
  H      -3.349855      3.624530      2.087176
  H      -1.619211      3.641567      1.791520
91
Coordinates from ORCA-job orca E -6562.707256395243
  N      -1.100075      1.213725      5.491315
  Mo     -2.295832      2.894361      5.433618
  N      -4.017035      3.243631      6.400401
  C      -4.064968      3.352257      7.867546
  C      -3.041867      2.403586      8.479715
  N      -1.729719      2.616221      7.821815
  C      -0.833429      1.435590      7.899975
  C      -1.130495      0.478171      6.762867
  C      -1.060841      3.836619      8.329867
  C      -0.249982      4.481978      7.223835
  N      -1.129904      4.754933      6.055877
  H      -0.366628     -0.320749      6.755454
  H      -2.106823     -0.024396      6.927348
  H       0.200263      1.793652      7.795466
  H      -0.924981      0.941254      8.882082
  H       0.222227      5.412647      7.578452
  H       0.541440      3.805247      6.872377
  H      -1.832560      4.534121      8.682443
  H      -0.418335      3.604899      9.195927
  H      -5.061848      3.088576      8.247865
  H      -3.875375      4.394994      8.190588
  H      -3.362659      1.376119      8.267281
  H      -2.959394      2.533974      9.574013
  C      -3.710780     -5.809316      2.350939
  C      -2.992956     -4.648539      2.992159
  O      -2.016926     -4.815333      3.715349
  C      -3.514262     -3.262535      2.742134
  C      -4.561793     -2.990358      1.848798
  C      -5.025122     -1.687896      1.671521
  C      -4.462154     -0.665483      2.420465
  F      -4.924652      0.587394      2.237654
  C      -3.403605     -0.891944      3.325030
  C      -2.827504      0.192196      4.126743
  O      -3.548817      1.090476      4.604912
  C      -1.331864      0.321148      4.370244
  C      -2.931507     -2.205991      3.447195
  C      -7.467970      5.024915      1.268996
  C      -6.069916      4.950088      1.817042
  O      -5.201270      4.266665      1.271512
  C      -5.741171      5.694891      3.070303
  C      -6.708860      6.094778      4.006837
  C      -6.324088      6.621424      5.239079
  C      -4.969609      6.725978      5.531482
  F      -4.609487      7.202499      6.745765
  C      -3.973767      6.385126      4.605013
  C      -2.510045      6.351690      4.863843
  O      -1.695974      6.515496      3.964091
  C      -2.000289      5.947447      6.247402
  C      -4.393011      5.904628      3.363264
  C      -8.472543     -3.286196      2.973397
  C      -7.550150     -2.563755      3.925789
  O      -6.727061     -3.174807      4.599706
  C      -7.646538     -1.070087      4.017395
  C      -8.488506     -0.311537      3.185932
  C      -8.504134      1.077705      3.275099
  C      -7.665513      1.698775      4.192416
  F      -7.704913      3.056004      4.260256
  C      -6.817393      0.987455      5.050502
  C      -5.853464      1.586418      6.033490
  O      -5.480884      0.920434      6.989366
  C      -5.304049      2.996491      5.775388
  C      -6.838761     -0.407635      4.945338
  H      -3.221277     -6.743688      2.643798
  H      -4.765177     -5.827969      2.667528
  H      -3.702326     -5.719247      1.253863
  H      -5.024683     -3.797162      1.280786
  H      -5.826665     -1.453942      0.970726
  H      -0.923303      0.760749      3.439424
  H      -0.849532     -0.663942      4.492463
  H      -2.122648     -2.442584      4.139768
  H      -7.800325      6.068859      1.173305
  H      -8.164489      4.527342      1.962413
  H      -7.510082      4.521333      0.297735
  H      -7.770485      5.966117      3.795719
  H      -7.058309      6.932274      5.982400
  H      -1.413958      6.787439      6.660619
  H      -2.812964      5.704878      6.935328
  H      -3.630928      5.645888      2.630728
  H      -9.526294     -3.052618      3.186815
  H      -8.308718     -4.365159      3.061811
  H      -8.277031     -2.971428      1.936067
  H      -9.137223     -0.800366      2.458933
  H      -9.156303      1.684487      2.646651
  H      -6.066683      3.718790      6.127922
  H      -5.228415      3.149148      4.690362
  H      -6.184951     -0.990457      5.595231
  N      -2.145565      3.263705      3.686061
  N      -2.393659      3.422223      2.415616
  H      -0.534899      4.975661      5.245946
  H      -3.348538      3.624738      2.086455
  H      -1.617341      3.640067      1.791672
91
Coordinates from ORCA-job orca E -6562.707258182901
  N      -1.100796      1.213833      5.490989
  Mo     -2.296326      2.894508      5.432840
  N      -4.017554      3.244252      6.399353
  C      -4.065792      3.352491      7.866520
  C      -3.042823      2.403699      8.478784
  N      -1.730423      2.616243      7.821327
  C      -0.834386      1.435427      7.899682
  C      -1.131411      0.478143      6.762461
  C      -1.061458      3.836433      8.329784
  C      -0.250224      4.481781      7.223949
  N      -1.129994      4.755510      6.056067
  H      -0.367551     -0.320783      6.755028
  H      -2.107762     -0.024432      6.926784
  H       0.199411      1.793251      7.795413
  H      -0.926305      0.941103      8.881760
  H       0.222497      5.412085      7.578851
  H       0.540843      3.804733      6.872292
  H      -1.833146      4.534032      8.682232
  H      -0.419273      3.604422      9.195993
  H      -5.062735      3.088565      8.246514
  H      -3.876474      4.395172      8.189879
  H      -3.363617      1.376277      8.266123
  H      -2.960704      2.533904      9.573130
  C      -3.716609     -5.808175      2.351926
  C      -2.997269     -4.647931      2.992385
  O      -2.019774     -4.815235      3.713475
  C      -3.517422     -3.261552      2.742104
  C      -4.565139     -2.988820      1.849156
  C      -5.027458     -1.686057      1.671617
  C      -4.463431     -0.663883      2.420070
  F      -4.924984      0.589271      2.237034
  C      -3.404625     -0.890898      3.324217
  C      -2.827795      0.192954      4.125753
  O      -3.548735      1.091710      4.603659
  C      -1.332229      0.321342      4.369687
  C      -2.933403     -2.205255      3.446478
  C      -7.467251      5.024527      1.270781
  C      -6.068931      4.951264      1.818353
  O      -5.199884      4.268114      1.273172
  C      -5.740502      5.696825      3.071280
  C      -6.708214      6.096862      4.007714
  C      -6.323462      6.623827      5.239820
  C      -4.968988      6.728371      5.532287
  F      -4.608935      7.204781      6.746636
  C      -3.973122      6.387365      4.605900
  C      -2.509422      6.353492      4.864722
  O      -1.695343      6.516849      3.964887
  C      -1.999735      5.948379      6.248021
  C      -4.392403      5.906878      3.364151
  C      -8.467775     -3.290422      2.974645
  C      -7.547029     -2.567031      3.927913
  O      -6.725512     -3.177512      4.604284
  C      -7.643501     -1.073233      4.017755
  C      -8.484533     -0.315603      3.184490
  C      -8.500346      1.073744      3.272140
  C      -7.662843      1.695841      4.189785
  F      -7.701993      3.053185      4.255784
  C      -6.815678      0.985484      5.049614
  C      -5.852429      1.585584      6.032553
  O      -5.481087      0.921083      6.989936
  C      -5.304287      2.996113      5.774185
  C      -6.836851     -0.409731      4.945936
  H      -3.227764     -6.742950      2.644598
  H      -4.770834     -5.825688      2.669173
  H      -3.708722     -5.718309      1.254816
  H      -5.028975     -3.795450      1.281667
  H      -5.829088     -1.451666      0.971068
  H      -0.923224      0.761029      3.439097
  H      -0.850147     -0.663838      4.492036
  H      -2.124477     -2.442284      4.138804
  H      -7.800125      6.068196      1.173807
  H      -8.163295      4.527603      1.965147
  H      -7.509469      4.519657      0.300197
  H      -7.769822      5.967975      3.796643
  H      -7.057686      6.934712      5.983123
  H      -1.412911      6.787967      6.661374
  H      -2.812381      5.706042      6.936054
  H      -3.630240      5.648045      2.631747
  H      -9.521912     -3.057306      3.186714
  H      -8.303553     -4.369257      3.063874
  H      -8.271230     -2.976081      1.937393
  H      -9.132317     -0.805251      2.457213
  H      -9.151720      1.679809      2.642178
  H      -6.067595      3.717923      6.126267
  H      -5.228508      3.148455      4.689106
  H      -6.183717     -0.991829      5.597153
  N      -2.144388      3.264505      3.685750
  N      -2.393228      3.423474      2.415150
  H      -0.535225      4.976081      5.245143
  H      -3.348213      3.627259      2.087211
  H      -1.617203      3.643281      1.791548
91
Coordinates from ORCA-job orca E -6562.707259441181
  N      -1.100981      1.213610      5.490804
  Mo     -2.297185      2.893486      5.431477
  N      -4.018080      3.243822      6.398333
  C      -4.066070      3.351772      7.865593
  C      -3.042795      2.403293      8.477932
  N      -1.730253      2.616012      7.820757
  C      -0.834198      1.435249      7.899431
  C      -1.131148      0.477857      6.762255
  C      -1.061515      3.836269      8.329311
  C      -0.250416      4.481644      7.223290
  N      -1.130568      4.756195      6.055955
  H      -0.366915     -0.320708      6.754597
  H      -2.107233     -0.025184      6.926733
  H       0.199616      1.793022      7.795190
  H      -0.926293      0.941115      8.881590
  H       0.223130      5.411514      7.578254
  H       0.540038      3.804183      6.871027
  H      -1.833356      4.533766      8.681624
  H      -0.419432      3.604315      9.195590
  H      -5.062874      3.087380      8.245642
  H      -3.877251      4.394500      8.188999
  H      -3.363306      1.375781      8.265327
  H      -2.960985      2.533569      9.572299
  C      -3.719892     -5.808418      2.355196
  C      -2.997896     -4.648069      2.992452
  O      -2.017957     -4.815159      3.710255
  C      -3.518217     -3.261669      2.742605
  C      -4.567027     -2.988996      1.850913
  C      -5.029321     -1.686216      1.673560
  C      -4.464361     -0.663940      2.421166
  F      -4.926014      0.589163      2.238420
  C      -3.404438     -0.890917      3.324064
  C      -2.826738      0.192894      4.124869
  O      -3.547278      1.092378      4.602385
  C      -1.331347      0.321027      4.369207
  C      -2.933122     -2.205300      3.445943
  C      -7.467618      5.025219      1.272700
  C      -6.069094      4.952964      1.819864
  O      -5.199693      4.270232      1.274839
  C      -5.740835      5.699067      3.072603
  C      -6.708405      6.099516      4.008984
  C      -6.323485      6.626724      5.240911
  C      -4.968980      6.731005      5.533376
  F      -4.608887      7.207445      6.747692
  C      -3.973205      6.389675      4.607000
  C      -2.509475      6.355288      4.865561
  O      -1.695564      6.518877      3.965606
  C      -1.999430      5.949464      6.248506
  C      -4.392739      5.909178      3.365301
  C      -8.466366     -3.292624      2.973380
  C      -7.547840     -2.569306      3.928848
  O      -6.729450     -3.180107      4.608722
  C      -7.642915     -1.075294      4.016881
  C      -8.482269     -0.317759      3.181823
  C      -8.497196      1.071686      3.268228
  C      -7.660386      1.693964      4.186378
  F      -7.698213      3.051434      4.250802
  C      -6.814774      0.983746      5.047850
  C      -5.852051      1.584073      6.031109
  O      -5.480815      0.919695      6.988611
  C      -5.304842      2.995112      5.773320
  C      -6.836857     -0.411555      4.945407
  H      -3.231758     -6.743377      2.648463
  H      -4.773670     -5.823906      2.673975
  H      -3.713403     -5.720249      1.257919
  H      -5.031716     -3.795715      1.284245
  H      -5.831690     -1.451850      0.973847
  H      -0.921915      0.761090      3.438969
  H      -0.849161     -0.664029      4.491822
  H      -2.123278     -2.442240      4.137209
  H      -7.800008      6.068855      1.173449
  H      -8.163713      4.530304      1.968436
  H      -7.510318      4.518288      0.303215
  H      -7.770033      5.970639      3.797999
  H      -7.057592      6.937860      5.984226
  H      -1.411847      6.788682      6.661558
  H      -2.811784      5.707600      6.937041
  H      -3.630521      5.650134      2.633029
  H      -9.520980     -3.060429      3.184228
  H      -8.301673     -4.371416      3.062255
  H      -8.268715     -2.977412      1.936633
  H      -9.129509     -0.807589      2.454186
  H      -9.147293      1.677644      2.636850
  H      -6.068597      3.716300      6.125656
  H      -5.229294      3.147902      4.688258
  H      -6.185038     -0.993605      5.597985
  N      -2.141709      3.264600      3.685428
  N      -2.392637      3.423342      2.414436
  H      -0.536400      4.976604      5.243583
  H      -3.348002      3.630394      2.089824
  H      -1.617582      3.649876      1.792039
91
Coordinates from ORCA-job orca E -6562.707253370559
  N      -1.100984      1.213960      5.490307
  Mo     -2.298828      2.892056      5.427361
  N      -4.019250      3.243690      6.394815
  C      -4.066821      3.351477      7.862289
  C      -3.043396      2.403582      8.475444
  N      -1.730176      2.616131      7.819518
  C      -0.834648      1.435144      7.899090
  C      -1.131249      0.477880      6.761580
  C      -1.061631      3.836290      8.328269
  C      -0.250371      4.481367      7.222017
  N      -1.131159      4.758058      6.055886
  H      -0.366639     -0.320302      6.753634
  H      -2.107114     -0.025697      6.925764
  H       0.199413      1.792380      7.795579
  H      -0.927864      0.941187      8.881236
  H       0.225203      5.410116      7.577258
  H       0.538571      3.802760      6.868534
  H      -1.833655      4.533886      8.679986
  H      -0.420031      3.604425      9.194908
  H      -5.063486      3.086486      8.242350
  H      -3.878821      4.394377      8.185442
  H      -3.363511      1.375908      8.263039
  H      -2.962783      2.534237      9.569876
  C      -3.727002     -5.807568      2.362196
  C      -2.999862     -4.647089      2.993312
  O      -2.015217     -4.813835      3.704700
  C      -3.519925     -3.260526      2.743668
  C      -4.570389     -2.987862      1.853884
  C      -5.031915     -1.684889      1.676102
  C      -4.464930     -0.662324      2.421777
  F      -4.926110      0.590812      2.238826
  C      -3.403431     -0.889371      3.322944
  C      -2.823667      0.194305      4.121884
  O      -3.543062      1.096016      4.598089
  C      -1.328691      0.321234      4.367919
  C      -2.932596     -2.204004      3.444823
  C      -7.464653      5.023755      1.274279
  C      -6.066032      4.954157      1.821473
  O      -5.195059      4.273329      1.276761
  C      -5.739615      5.700320      3.074782
  C      -6.707835      6.099397      4.011036
  C      -6.323816      6.626706      5.243182
  C      -4.969507      6.732293      5.536175
  F      -4.610396      7.208625      6.750792
  C      -3.973124      6.392426      4.609929
  C      -2.509383      6.359429      4.868411
  O      -1.695887      6.523696      3.968219
  C      -1.998598      5.951748      6.250506
  C      -4.391916      5.912035      3.367907
  C      -8.464985     -3.296488      2.970700
  C      -7.549368     -2.573369      3.929117
  O      -6.734470     -3.184570      4.612813
  C      -7.643671     -1.079217      4.016097
  C      -8.483335     -0.321882      3.181148
  C      -8.498071      1.067604      3.267002
  C      -7.660490      1.690142      4.184254
  F      -7.697948      3.047662      4.247911
  C      -6.814328      0.980187      5.045455
  C      -5.850529      1.580848      6.027430
  O      -5.477628      0.916610      6.984382
  C      -5.306136      2.993215      5.770494
  C      -6.836896     -0.415188      4.943790
  H      -3.240890     -6.742977      2.657372
  H      -4.780172     -5.818530      2.682995
  H      -3.722213     -5.723140      1.264571
  H      -5.036820     -3.794758      1.288898
  H      -5.835236     -1.450492      0.977489
  H      -0.917626      0.762063      3.438738
  H      -0.846687     -0.663733      4.491311
  H      -2.121303     -2.440839      4.134403
  H      -7.796534      6.067183      1.170658
  H      -8.161071      4.532246      1.972047
  H      -7.507371      4.513122      0.306745
  H      -7.769244      5.969294      3.799659
  H      -7.058438      6.936812      5.986422
  H      -1.409842      6.790124      6.663617
  H      -2.810555      5.710135      6.939640
  H      -3.628980      5.654519      2.635846
  H      -9.520338     -3.069146      3.183516
  H      -8.296533     -4.374998      3.055842
  H      -8.269720     -2.976651      1.934997
  H      -9.131171     -0.811931      2.454198
  H      -9.148557      1.673322      2.635800
  H      -6.070987      3.712759      6.123710
  H      -5.231607      3.147022      4.685476
  H      -6.184860     -0.997164      5.596226
  N      -2.133579      3.265713      3.683936
  N      -2.387650      3.424744      2.412141
  H      -0.537874      4.978638      5.242212
  H      -3.343503      3.638680      2.093747
  H      -1.613833      3.665474      1.793548
91
Coordinates from ORCA-job orca E -6562.707253296157
  N      -1.099918      1.214686      5.489404
  Mo     -2.299466      2.891494      5.424885
  N      -4.019755      3.242770      6.393277
  C      -4.066858      3.350576      7.860846
  C      -3.043364      2.403074      8.474388
  N      -1.729904      2.615923      7.819235
  C      -0.834393      1.435038      7.898642
  C      -1.130555      0.478231      6.760511
  C      -1.061751      3.836105      8.328037
  C      -0.250336      4.481221      7.221860
  N      -1.131016      4.758511      6.055924
  H      -0.365915     -0.319905      6.752328
  H      -2.106440     -0.025456      6.924249
  H       0.199727      1.792283      7.795773
  H      -0.928081      0.940580      8.880495
  H       0.225638      5.409677      7.577381
  H       0.538341      3.802397      6.868186
  H      -1.833998      4.533623      8.679439
  H      -0.420330      3.604492      9.194895
  H      -5.063447      3.085474      8.241100
  H      -3.879046      4.393568      8.183726
  H      -3.363085      1.375289      8.261966
  H      -2.963473      2.533889      9.568871
  C      -3.730075     -5.807264      2.367724
  C      -3.000547     -4.646513      2.995561
  O      -2.015463     -4.813109      3.706358
  C      -3.519956     -3.259862      2.744914
  C      -4.570536     -2.987388      1.855194
  C      -5.031365     -1.684309      1.676386
  C      -4.463789     -0.661420      2.421156
  F      -4.924243      0.591792      2.237087
  C      -3.402164     -0.888281      3.322309
  C      -2.821492      0.195477      4.120066
  O      -3.540211      1.098540      4.595527
  C      -1.326641      0.321921      4.366668
  C      -2.931845     -2.203090      3.444970
  C      -7.463654      5.024804      1.273941
  C      -6.065011      4.955552      1.821135
  O      -5.193278      4.276687      1.275198
  C      -5.739132      5.700689      3.075187
  C      -6.707588      6.098296      4.011818
  C      -6.323910      6.624878      5.244374
  C      -4.969671      6.731272      5.537372
  F      -4.610881      7.206894      6.752340
  C      -3.973076      6.392838      4.610815
  C      -2.509306      6.360435      4.869408
  O      -1.695810      6.527743      3.969792
  C      -1.998355      5.952102      6.251295
  C      -4.391545      5.913125      3.368442
  C      -8.465494     -3.297664      2.968612
  C      -7.550804     -2.574967      3.928229
  O      -6.736412     -3.186446      4.612273
  C      -7.645073     -1.080830      4.015628
  C      -8.485609     -0.323310      3.181727
  C      -8.500411      1.066142      3.268036
  C      -7.661934      1.688512      4.184582
  F      -7.699458      3.045999      4.248562
  C      -6.814830      0.978369      5.044747
  C      -5.850331      1.578834      6.026152
  O      -5.475099      0.913602      6.981515
  C      -5.306935      2.991657      5.769724
  C      -6.837443     -0.416991      4.942713
  H      -3.245612     -6.742829      2.665107
  H      -4.783233     -5.815395      2.688608
  H      -3.725163     -5.725609      1.269877
  H      -5.037563     -3.794505      1.291021
  H      -5.834650     -1.450074      0.977683
  H      -0.914991      0.763203      3.437953
  H      -0.844652     -0.663002      4.490190
  H      -2.120477     -2.439775      4.134509
  H      -7.795442      6.068257      1.170063
  H      -8.160183      4.533546      1.971743
  H      -7.506280      4.514102      0.306440
  H      -7.768911      5.967586      3.800395
  H      -7.058745      6.933830      5.987885
  H      -1.409582      6.790203      6.664931
  H      -2.810434      5.710125      6.940177
  H      -3.628426      5.656661      2.636184
  H      -9.521094     -3.073295      3.183525
  H      -8.294661     -4.376017      3.050945
  H      -8.272492     -2.974684      1.933496
  H      -9.134194     -0.813175      2.455321
  H      -9.151662      1.671973      2.637732
  H      -6.071974      3.710485      6.123929
  H      -5.233396      3.146273      4.684741
  H      -6.184815     -0.999143      5.594408
  N      -2.130472      3.266734      3.682732
  N      -2.385567      3.427820      2.411114
  H      -0.538267      4.979420      5.242572
  H      -3.341523      3.643515      2.094297
  H      -1.611640      3.670771      1.793582
91
Coordinates from ORCA-job orca E -6562.707260102767
  N      -1.096818      1.216569      5.488139
  Mo     -2.299026      2.891800      5.421573
  N      -4.019725      3.241306      6.391150
  C      -4.066507      3.349962      7.858746
  C      -3.043305      2.403085      8.473478
  N      -1.729439      2.616289      7.819820
  C      -0.834033      1.435531      7.898409
  C      -1.129324      0.479685      6.759047
  C      -1.061711      3.836420      8.328347
  C      -0.249776      4.481349      7.222537
  N      -1.129702      4.758440      6.056168
  H      -0.365354     -0.319062      6.751054
  H      -2.105802     -0.023291      6.921488
  H       0.200191      1.792855      7.796853
  H      -0.928378      0.939696      8.879526
  H       0.225711      5.409931      7.578427
  H       0.539315      3.802672      6.869521
  H      -1.834108      4.534051      8.679234
  H      -0.420448      3.605406      9.195554
  H      -5.063212      3.085446      8.239180
  H      -3.878420      4.393162      8.180799
  H      -3.362452      1.375110      8.261089
  H      -2.964806      2.534373      9.568033
  C      -3.725855     -5.806515      2.371919
  C      -2.997223     -4.644888      2.999192
  O      -2.013990     -4.810687      3.712715
  C      -3.516856     -3.258534      2.747036
  C      -4.567101     -2.987021      1.856604
  C      -5.027967     -1.684110      1.676365
  C      -4.460697     -0.660405      2.420246
  F      -4.921043      0.592657      2.234564
  C      -3.399476     -0.886272      3.322205
  C      -2.818137      0.197996      4.118153
  O      -3.535892      1.103085      4.592360
  C      -1.323288      0.323697      4.365250
  C      -2.929215     -2.201067      3.446349
  C      -7.460076      5.022962      1.270605
  C      -6.061672      4.954093      1.818476
  O      -5.188943      4.277456      1.271174
  C      -5.737176      5.696909      3.074090
  C      -6.706618      6.090870      4.011258
  C      -6.324236      6.616132      5.244817
  C      -4.970268      6.724917      5.538102
  F      -4.612550      7.199609      6.753727
  C      -3.972848      6.389820      4.611204
  C      -2.509050      6.360161      4.870439
  O      -1.695503      6.530069      3.971401
  C      -1.998409      5.951066      6.252258
  C      -4.389959      5.911224      3.368075
  C      -8.474367     -3.294326      2.965888
  C      -7.556248     -2.573175      3.923379
  O      -6.738122     -3.185469      4.602176
  C      -7.651842     -1.079421      4.015277
  C      -8.497391     -0.320591      3.187700
  C      -8.512976      1.068591      3.277641
  C      -7.670233      1.689486      4.191271
  F      -7.709620      3.046650      4.259417
  C      -6.818087      0.977933      5.045371
  C      -5.850011      1.576690      6.024413
  O      -5.469913      0.908919      6.976125
  C      -5.307315      2.989773      5.768673
  C      -6.840198     -0.417187      4.939994
  H      -3.241862     -6.741653      2.671402
  H      -4.779494     -5.814339      2.691171
  H      -3.719267     -5.726455      1.273966
  H      -5.033757     -3.794683      1.292907
  H      -5.830992     -1.450686      0.977098
  H      -0.911032      0.765083      3.436842
  H      -0.841662     -0.661387      4.488836
  H      -2.118104     -2.437033      4.136457
  H      -7.792823      6.066275      1.168426
  H      -8.156550      4.529707      1.967013
  H      -7.501613      4.514052      0.302111
  H      -7.767654      5.958490      3.799483
  H      -7.059895      6.922433      5.988606
  H      -1.410908      6.789114      6.667725
  H      -2.811170      5.707405      6.939756
  H      -3.626429      5.657663      2.635228
  H      -9.529230     -3.073671      3.188309
  H      -8.300297     -4.372562      3.042779
  H      -8.288716     -2.966436      1.931004
  H      -9.149430     -0.809125      2.463489
  H      -9.168261      1.675442      2.652513
  H      -6.072162      3.707973      6.124555
  H      -5.235283      3.145648      4.683808
  H      -6.183852     -1.000396      5.587007
  N      -2.127113      3.268451      3.680185
  N      -2.380632      3.433768      2.409617
  H      -0.535993      4.979928      5.246756
  H      -3.336121      3.648020      2.090434
  H      -1.605095      3.672348      1.792545
91
Coordinates from ORCA-job orca E -6562.705974632607
  N      -1.093856      1.217257      5.489758
  Mo     -2.294110      2.895636      5.427251
  N      -4.016917      3.241128      6.395445
  C      -4.065303      3.352066      7.862588
  C      -3.043813      2.404261      8.478372
  N      -1.730137      2.616774      7.824804
  C      -0.835026      1.435671      7.901104
  C      -1.130122      0.480773      6.760885
  C      -1.061365      3.836374      8.332696
  C      -0.248163      4.480658      7.228063
  N      -1.125486      4.753847      6.058529
  H      -0.368544     -0.320269      6.754559
  H      -2.108386     -0.019288      6.921622
  H       0.199199      1.793214      7.800169
  H      -0.928739      0.937937      8.881348
  H       0.223289      5.411296      7.583842
  H       0.543977      3.803745      6.878638
  H      -1.832896      4.534836      8.683836
  H      -0.419806      3.605365      9.199830
  H      -5.062892      3.090220      8.242464
  H      -3.874868      4.395236      8.183881
  H      -3.363803      1.376516      8.265781
  H      -2.965253      2.535658      9.572893
  C      -3.702617     -5.805819      2.355358
  C      -2.989309     -4.643913      2.999610
  O      -2.017234     -4.809593      3.728332
  C      -3.510390     -3.258255      2.746476
  C      -4.556873     -2.987514      1.851406
  C      -5.019502     -1.685131      1.671045
  C      -4.456527     -0.661280      2.418014
  F      -4.918198      0.591543      2.231910
  C      -3.399279     -0.886246      3.324632
  C      -2.821323      0.198644      4.122633
  O      -3.540104      1.101965      4.597484
  C      -1.325663      0.324541      4.368291
  C      -2.928280     -2.200589      3.450209
  C      -7.452791      5.032642      1.255148
  C      -6.056068      4.956392      1.806343
  O      -5.185517      4.276855      1.258474
  C      -5.731425      5.693086      3.064996
  C      -6.702176      6.083458      4.002417
  C      -6.321350      6.604349      5.238456
  C      -4.967729      6.712593      5.533337
  F      -4.610958      7.184270      6.750458
  C      -3.969256      6.380305      4.606611
  C      -2.505779      6.352053      4.868136
  O      -1.690816      6.517836      3.969670
  C      -1.998611      5.944480      6.251639
  C      -4.384318      5.905239      3.361734
  C      -8.485267     -3.285474      2.973393
  C      -7.554241     -2.564273      3.918264
  O      -6.718961     -3.174996      4.577219
  C      -7.657550     -1.071862      4.021233
  C      -8.514538     -0.312319      3.206288
  C      -8.535191      1.076182      3.304215
  C      -7.686465      1.695785      4.213184
  F      -7.733929      3.052035      4.291498
  C      -6.823355      0.983262      5.055434
  C      -5.850235      1.580357      6.030882
  O      -5.467022      0.911196      6.980441
  C      -5.304265      2.991384      5.772469
  C      -6.840559     -0.411276      4.942403
  H      -3.213030     -6.739390      2.650623
  H      -4.758296     -5.826406      2.667380
  H      -3.689666     -5.716022      1.258307
  H      -5.019234     -3.795185      1.284197
  H      -5.820256     -1.452436      0.968937
  H      -0.914787      0.763653      3.438234
  H      -0.845268     -0.661433      4.491055
  H      -2.120279     -2.436145      4.144177
  H      -7.786506      6.076630      1.165121
  H      -8.150349      4.529550      1.943439
  H      -7.491604      4.535143      0.280612
  H      -7.763019      5.952388      3.788920
  H      -7.058061      6.908383      5.982131
  H      -1.415265      6.783718      6.670392
  H      -2.813716      5.697987      6.935360
  H      -3.620752      5.654679      2.627934
  H      -9.537253     -3.062095      3.205931
  H      -8.311891     -4.363875      3.049552
  H      -8.309121     -2.959719      1.936048
  H      -9.171310     -0.799562      2.485474
  H      -9.199328      1.683770      2.689204
  H      -6.067357      3.711988      6.127554
  H      -5.231662      3.145449      4.687563
  H      -6.175332     -0.994942      5.579863
  N      -2.136582      3.268756      3.680988
  N      -2.378266      3.437552      2.412998
  H      -0.624135      4.950716      5.195631
  H      -3.333971      3.619270      2.074152
  H      -1.599912      3.662012      1.794233
91
Coordinates from ORCA-job orca E -6562.707070640379
  N      -1.093534      1.215743      5.489134
  Mo     -2.294972      2.893183      5.423007
  N      -4.018053      3.239843      6.390752
  C      -4.066484      3.351431      7.858088
  C      -3.045103      2.404246      8.475390
  N      -1.730727      2.616096      7.822819
  C      -0.835685      1.435065      7.900733
  C      -1.129942      0.479639      6.760696
  C      -1.062235      3.836368      8.329910
  C      -0.249543      4.480980      7.224464
  N      -1.127905      4.754689      6.056029
  H      -0.367836     -0.320904      6.754812
  H      -2.107934     -0.021005      6.921267
  H       0.198646      1.792468      7.800368
  H      -0.930336      0.938040      8.881245
  H       0.222587      5.411364      7.580075
  H       0.542081      3.803904      6.874123
  H      -1.834100      4.534603      8.680819
  H      -0.420526      3.606047      9.197096
  H      -5.064135      3.089578      8.237914
  H      -3.876550      4.394862      8.178643
  H      -3.364840      1.376299      8.263583
  H      -2.967569      2.536690      9.569873
  C      -3.707028     -5.810370      2.364830
  C      -2.989459     -4.648168      3.003735
  O      -2.018291     -4.813887      3.733640
  C      -3.508269     -3.262242      2.747475
  C      -4.553115     -2.991702      1.850444
  C      -5.013726     -1.689071      1.667075
  C      -4.451028     -0.664733      2.413547
  F      -4.910324      0.588332      2.223927
  C      -3.395317     -0.889487      3.322121
  C      -2.817579      0.195774      4.119527
  O      -3.536620      1.100366      4.592296
  C      -1.322430      0.321899      4.367583
  C      -2.925712     -2.204142      3.450125
  C      -7.465708      5.047824      1.260934
  C      -6.068233      4.968206      1.809750
  O      -5.198594      4.291289      1.257372
  C      -5.740201      5.702815      3.068887
  C      -6.708525      6.093753      4.008571
  C      -6.324566      6.612128      5.244637
  C      -4.970247      6.717622      5.537260
  F      -4.610625      7.186520      6.754583
  C      -3.973958      6.385000      4.608269
  C      -2.510126      6.352594      4.867506
  O      -1.695927      6.525592      3.969656
  C      -2.000957      5.945074      6.250400
  C      -4.392185      5.912397      3.363400
  C      -8.484239     -3.290922      2.974530
  C      -7.558008     -2.569100      3.923635
  O      -6.727015     -3.179634      4.588198
  C      -7.658182     -1.076055      4.021017
  C      -8.511005     -0.317427      3.200834
  C      -8.529592      1.071426      3.294497
  C      -7.682802      1.692303      4.204409
  F      -7.727065      3.048989      4.277562
  C      -6.823576      0.980802      5.051477
  C      -5.852464      1.579263      6.027928
  O      -5.468845      0.910418      6.977526
  C      -5.305714      2.989763      5.768067
  C      -6.842746     -0.414062      4.942567
  H      -3.221402     -6.744465      2.664938
  H      -4.763141     -5.824996      2.675764
  H      -3.692424     -5.725880      1.267365
  H      -5.015760     -3.799773      1.284051
  H      -5.812902     -1.456509      0.963136
  H      -0.909955      0.761021      3.438240
  H      -0.841703     -0.663647      4.491926
  H      -2.119084     -2.439556      4.145701
  H      -7.797112      6.092732      1.172513
  H      -8.163386      4.545764      1.949833
  H      -7.507136      4.551614      0.285853
  H      -7.769970      5.964822      3.796791
  H      -7.059379      6.916247      5.990153
  H      -1.417101      6.784495      6.668210
  H      -2.815029      5.698553      6.935370
  H      -3.630121      5.660704      2.628365
  H      -9.537282     -3.068239      3.203047
  H      -8.310679     -4.369219      3.051727
  H      -8.304418     -2.965151      1.937847
  H      -9.166327     -0.805729      2.479423
  H      -9.190594      1.678263      2.675388
  H      -6.068553      3.710879      6.122478
  H      -5.233272      3.142836      4.682915
  H      -6.180805     -0.997029      5.584082
  N      -2.130671      3.266939      3.678408
  N      -2.373737      3.435473      2.409626
  H      -0.534566      4.935798      5.233446
  H      -3.327479      3.637790      2.077000
  H      -1.594214      3.653147      1.789869
91
Coordinates from ORCA-job orca E -6562.702700557536
  N      -1.094038      1.225407      5.490555
  Mo     -2.294419      2.903328      5.432068
  N      -4.014196      3.250793      6.404570
  C      -4.058498      3.356248      7.872665
  C      -3.034359      2.407934      8.484154
  N      -1.721723      2.621415      7.827695
  C      -0.826237      1.440283      7.901103
  C      -1.125184      0.486577      6.760725
  C      -1.050938      3.842633      8.331920
  C      -0.242571      4.487377      7.221597
  N      -1.127177      4.759977      6.059164
  H      -0.362732     -0.313594      6.750155
  H      -2.102312     -0.014746      6.924343
  H       0.207726      1.797710      7.797111
  H      -0.917382      0.942286      8.881434
  H       0.232865      5.417487      7.573460
  H       0.546249      3.808843      6.867707
  H      -1.821448      4.540778      8.685960
  H      -0.405491      3.612537      9.196285
  H      -5.054966      3.092811      8.254528
  H      -3.868076      4.398552      8.196250
  H      -3.354312      1.380373      8.271093
  H      -2.953450      2.537886      9.578686
  C      -3.722220     -5.791341      2.357195
  C      -3.001677     -4.631253      2.996562
  O      -2.023649     -4.798679      3.716850
  C      -3.521796     -3.244618      2.746922
  C      -4.571877     -2.971748      1.856742
  C      -5.032990     -1.668604      1.678802
  C      -4.465173     -0.646020      2.423752
  F      -4.924605      0.607550      2.239071
  C      -3.404224     -0.873154      3.325603
  C      -2.822080      0.210122      4.122607
  O      -3.538844      1.115132      4.598138
  C      -1.326168      0.334131      4.367253
  C      -2.934615     -2.188279      3.448370
  C      -7.459181      4.824801      1.325047
  C      -6.057235      4.792891      1.867434
  O      -5.179460      4.106182      1.341044
  C      -5.735558      5.584887      3.093248
  C      -6.705295      6.000710      4.020657
  C      -6.323439      6.572899      5.233399
  C      -4.969508      6.705950      5.516578
  F      -4.611767      7.225111      6.713918
  C      -3.972490      6.350072      4.596932
  C      -2.507749      6.338340      4.851809
  O      -1.698928      6.483305      3.944150
  C      -1.990721      5.957423      6.239440
  C      -4.389594      5.824505      3.372919
  C      -8.500369     -3.223262      2.909176
  C      -7.575228     -2.517172      3.871108
  O      -6.754378     -3.140296      4.536669
  C      -7.667105     -1.024641      3.984005
  C      -8.511633     -0.252192      3.168025
  C      -8.523515      1.135677      3.277252
  C      -7.678137      1.741741      4.198415
  F      -7.713800      3.098030      4.285388
  C      -6.826709      1.016046      5.041342
  C      -5.855139      1.599061      6.026253
  O      -5.477753      0.919669      6.970776
  C      -5.303465      3.010195      5.781256
  C      -6.852550     -0.377406      4.916768
  H      -3.234308     -6.726364      2.650627
  H      -4.776617     -5.807589      2.673671
  H      -3.713408     -5.702332      1.259977
  H      -5.038326     -3.778476      1.291551
  H      -5.836250     -1.434152      0.980141
  H      -0.915598      0.775284      3.437999
  H      -0.845743     -0.651885      4.488381
  H      -2.123986     -2.425464      4.138635
  H      -7.808117      5.859318      1.192399
  H      -8.144689      4.342932      2.040245
  H      -7.498063      4.285149      0.373237
  H      -7.765707      5.848999      3.818942
  H      -7.059270      6.896485      5.969660
  H      -1.400539      6.801909      6.637801
  H      -2.801132      5.726131      6.933840
  H      -3.626655      5.551307      2.646415
  H      -9.553305     -2.996613      3.134435
  H      -8.333964     -4.303364      2.976197
  H      -8.313056     -2.887794      1.876966
  H      -9.165888     -0.728930      2.437980
  H      -9.177998      1.752883      2.661486
  H      -6.063886      3.730791      6.141795
  H      -5.230735      3.172749      4.697351
  H      -6.196735     -0.971115      5.554695
  N      -2.122164      3.293061      3.693308
  N      -2.364612      3.474212      2.425389
  H      -0.504355      5.172574      5.307096
  H      -3.319465      3.667640      2.091560
  H      -1.585037      3.699253      1.808232
91
Coordinates from ORCA-job orca E -6562.705884214020
  N      -1.104587      1.197776      5.485195
  Mo     -2.310520      2.869951      5.432101
  N      -4.027560      3.211776      6.407644
  C      -4.069741      3.320003      7.874516
  C      -3.037018      2.378249      8.481575
  N      -1.729552      2.599140      7.817581
  C      -0.826022      1.423547      7.891416
  C      -1.123676      0.463464      6.757570
  C      -1.064851      3.822469      8.323297
  C      -0.262761      4.470691      7.212623
  N      -1.149815      4.743431      6.049900
  H      -0.354587     -0.330479      6.747272
  H      -2.095861     -0.045249      6.927733
  H       0.205026      1.787398      7.780746
  H      -0.909140      0.929439      8.874446
  H       0.210746      5.401639      7.564763
  H       0.527314      3.795199      6.855748
  H      -1.837905      4.516329      8.680072
  H      -0.417210      3.592925      9.185925
  H      -5.062980      3.049132      8.259210
  H      -3.886755      4.363835      8.197427
  H      -3.351657      1.348694      8.270643
  H      -2.950764      2.508997      9.575507
  C      -3.685094     -5.848681      2.377939
  C      -2.972629     -4.681912      3.014049
  O      -1.980606     -4.838658      3.717521
  C      -3.506466     -3.300586      2.765137
  C      -4.566002     -3.039237      1.882869
  C      -5.040292     -1.740929      1.705781
  C      -4.475758     -0.711756      2.444030
  F      -4.946626      0.537241      2.259321
  C      -3.405481     -0.927113      3.337271
  C      -2.829745      0.164072      4.130537
  O      -3.553258      1.059998      4.608880
  C      -1.334800      0.302532      4.365787
  C      -2.922871     -2.237265      3.459232
  C      -7.477475      5.223600      1.220312
  C      -6.083610      5.114198      1.773135
  O      -5.226959      4.417136      1.226565
  C      -5.746179      5.834967      3.038625
  C      -6.709096      6.249920      3.973306
  C      -6.318589      6.747491      5.215652
  C      -4.964044      6.806420      5.520782
  F      -4.600854      7.255008      6.744842
  C      -3.971022      6.449197      4.597156
  C      -2.509898      6.370739      4.861956
  O      -1.688260      6.529377      3.967888
  C      -2.011914      5.942302      6.242582
  C      -4.395468      6.002778      3.344314
  C      -8.440746     -3.333838      2.960571
  C      -7.523554     -2.611853      3.918315
  O      -6.701647     -3.223138      4.593699
  C      -7.629622     -1.119286      4.019867
  C      -8.481480     -0.361167      3.197891
  C      -8.511442      1.027152      3.300826
  C      -7.675615      1.647825      4.221067
  F      -7.726588      3.004351      4.302101
  C      -6.815093      0.936896      5.066725
  C      -5.847641      1.537366      6.044430
  O      -5.467607      0.872812      6.998165
  C      -5.315026      2.954175      5.788569
  C      -6.823366     -0.457333      4.949525
  H      -3.182708     -6.778514      2.663343
  H      -4.735918     -5.878501      2.705397
  H      -3.688857     -5.755984      1.280966
  H      -5.030030     -3.851660      1.323829
  H      -5.851312     -1.515073      1.013231
  H      -0.933579      0.743898      3.432501
  H      -0.845495     -0.679028      4.487569
  H      -2.104801     -2.465520      4.143533
  H      -7.786089      6.275483      1.131564
  H      -8.187954      4.736618      1.907343
  H      -7.526714      4.728692      0.244983
  H      -7.772240      6.154897      3.752457
  H      -7.049033      7.069292      5.958028
  H      -1.417055      6.773321      6.661990
  H      -2.827071      5.705374      6.929020
  H      -3.634946      5.734206      2.614071
  H      -9.496231     -3.110299      3.176157
  H      -8.268668     -4.412149      3.040592
  H      -8.248077     -3.009431      1.925685
  H      -9.128574     -0.849895      2.469421
  H      -9.172562      1.633102      2.681022
  H      -6.083673      3.667932      6.145230
  H      -5.245769      3.109056      4.702976
  H      -6.161369     -1.039688      5.591437
  N      -2.167823      3.246547      3.685084
  N      -2.432446      3.402577      2.413894
  H      -0.539769      4.982372      5.291094
  H      -3.394008      3.594311      2.098959
  H      -1.667835      3.640167      1.782605
91
Coordinates from ORCA-job orca E -6562.699479448945
  N      -1.085584      1.257882      5.482875
  Mo     -2.281569      2.935746      5.426984
  N      -4.003748      3.286907      6.391123
  C      -4.056819      3.389784      7.856273
  C      -3.044719      2.431739      8.466198
  N      -1.729100      2.644166      7.819819
  C      -0.839109      1.460224      7.894435
  C      -1.130629      0.513627      6.746775
  C      -1.064826      3.854236      8.349763
  C      -0.241430      4.509544      7.264642
  N      -1.104594      4.789980      6.085410
  H      -0.371006     -0.289177      6.738421
  H      -2.110932      0.015026      6.899127
  H       0.196991      1.814560      7.802300
  H      -0.941345      0.957301      8.871094
  H       0.222521      5.437628      7.636797
  H       0.556781      3.838807      6.917162
  H      -1.840864      4.548564      8.699361
  H      -0.433934      3.612815      9.222079
  H      -5.056957      3.129469      8.230878
  H      -3.862158      4.429865      8.185005
  H      -3.369690      1.407459      8.244217
  H      -2.968750      2.554043      9.562002
  C      -3.786769     -5.710628      2.302234
  C      -3.042853     -4.565770      2.941972
  O      -2.080884     -4.754102      3.678485
  C      -3.533437     -3.169172      2.689474
  C      -4.566230     -2.875132      1.785932
  C      -5.004723     -1.564038      1.609016
  C      -4.434516     -0.555182      2.370584
  F      -4.874412      0.706333      2.189065
  C      -3.389725     -0.803804      3.285800
  C      -2.806618      0.265311      4.099553
  O      -3.520948      1.167184      4.583481
  C      -1.312689      0.379268      4.352861
  C      -2.939293     -2.126070      3.404632
  C      -7.342731      4.681143      1.271004
  C      -5.946282      4.702361      1.828164
  O      -5.030679      4.076963      1.289371
  C      -5.676380      5.474150      3.079090
  C      -6.676527      5.813535      4.005808
  C      -6.338294      6.371448      5.238158
  C      -4.996435      6.569082      5.539922
  F      -4.677678      7.072253      6.754888
  C      -3.972715      6.291164      4.623343
  C      -2.513636      6.348147      4.900937
  O      -1.697341      6.552436      4.011862
  C      -2.005052      5.958252      6.287900
  C      -4.347038      5.774629      3.381798
  C      -8.544908     -3.234043      3.038841
  C      -7.607330     -2.512485      3.976958
  O      -6.783215     -3.125721      4.647513
  C      -7.688207     -1.017041      4.055207
  C      -8.533986     -0.258820      3.227571
  C      -8.535412      1.131077      3.302902
  C      -7.679308      1.753745      4.202737
  F      -7.708361      3.111254      4.257862
  C      -6.826833      1.043127      5.057707
  C      -5.849203      1.641256      6.028707
  O      -5.471808      0.975322      6.982961
  C      -5.290296      3.046851      5.764738
  C      -6.862492     -0.352844      4.966066
  H      -3.325901     -6.656278      2.605170
  H      -4.844331     -5.697900      2.609501
  H      -3.765961     -5.627678      1.204878
  H      -5.037417     -3.671378      1.210020
  H      -5.793998     -1.313423      0.900217
  H      -0.894869      0.828087      3.430689
  H      -0.837016     -0.609989      4.466846
  H      -2.142924     -2.379907      4.105687
  H      -7.742143      5.700314      1.164838
  H      -8.009683      4.144227      1.963750
  H      -7.345319      4.168963      0.303296
  H      -7.725583      5.613206      3.787309
  H      -7.098002      6.635640      5.973878
  H      -1.450039      6.811207      6.717304
  H      -2.820268      5.682503      6.961564
  H      -3.563234      5.559812      2.657515
  H      -9.594293     -2.995223      3.267901
  H      -8.384805     -4.313451      3.128847
  H      -8.364503     -2.923271      1.997681
  H      -9.196842     -0.748351      2.513885
  H      -9.190613      1.737633      2.677390
  H      -6.047843      3.773454      6.119188
  H      -5.215357      3.200056      4.679983
  H      -6.206675     -0.935451      5.614258
  N      -2.135557      3.307507      3.679995
  N      -2.406227      3.467095      2.413823
  H      -0.490122      4.891799      5.216552
  H      -3.366350      3.672588      2.103979
  H      -1.640312      3.691836      1.780325
91
Coordinates from ORCA-job orca E -6562.702837958745
  N      -1.095511      1.195026      5.492157
  Mo     -2.294792      2.876702      5.395705
  N      -4.034546      3.219489      6.342745
  C      -4.104340      3.340288      7.810758
  C      -3.098031      2.393845      8.452427
  N      -1.770971      2.599905      7.826038
  C      -0.882272      1.414963      7.916450
  C      -1.157474      0.461143      6.766440
  C      -1.110599      3.815811      8.348315
  C      -0.273036      4.457572      7.263613
  N      -1.120859      4.736186      6.071168
  H      -0.398959     -0.342584      6.773768
  H      -2.140033     -0.036094      6.908917
  H       0.155039      1.768837      7.837409
  H      -0.997152      0.915038      8.893303
  H       0.191716      5.386425      7.632813
  H       0.525944      3.779904      6.931751
  H      -1.888038      4.516254      8.682235
  H      -0.488269      3.583841      9.229659
  H      -5.108375      3.080856      8.175517
  H      -3.918649      4.385869      8.127660
  H      -3.417491      1.365925      8.238077
  H      -3.041775      2.530200      9.547885
  C      -3.727669     -5.814523      2.329375
  C      -3.001782     -4.659583      2.972155
  O      -2.059276     -4.837140      3.735902
  C      -3.495739     -3.267315      2.700918
  C      -4.513581     -2.984852      1.776673
  C      -4.954148     -1.676685      1.581346
  C      -4.400334     -0.658793      2.343258
  F      -4.845549      0.599264      2.147034
  C      -3.371157     -0.895876      3.279303
  C      -2.800938      0.181924      4.088421
  O      -3.522056      1.095199      4.546968
  C      -1.308233      0.297492      4.368016
  C      -2.919492     -2.216022      3.418595
  C      -7.467860      5.437257      1.179606
  C      -6.083024      5.244749      1.732419
  O      -5.251967      4.546197      1.147386
  C      -5.723994      5.893684      3.029154
  C      -6.681369      6.288152      3.979136
  C      -6.285243      6.733916      5.239553
  C      -4.929913      6.771105      5.542205
  F      -4.557122      7.180535      6.776712
  C      -3.942227      6.434220      4.606472
  C      -2.482042      6.358721      4.877323
  O      -1.654209      6.534968      3.993366
  C      -2.000066      5.925863      6.262815
  C      -4.368576      6.023579      3.342590
  C      -8.456776     -3.482104      3.191256
  C      -7.525601     -2.710034      4.094889
  O      -6.672863     -3.281216      4.766395
  C      -7.646465     -1.216068      4.134773
  C      -8.523007     -0.503288      3.299267
  C      -8.556978      0.887382      3.334751
  C      -7.703126      1.556474      4.202695
  F      -7.772339      2.912609      4.224009
  C      -6.822407      0.892508      5.066744
  C      -5.852519      1.539123      6.016045
  O      -5.452428      0.902737      6.981483
  C      -5.317793      2.947757      5.716697
  C      -6.826201     -0.506042      5.015380
  H      -3.269874     -6.754870      2.652758
  H      -4.791395     -5.803601      2.613541
  H      -3.683750     -5.743926      1.231857
  H      -4.970621     -3.787437      1.198147
  H      -5.731969     -1.435437      0.856825
  H      -0.874077      0.732726      3.446821
  H      -0.835927     -0.690951      4.502856
  H      -2.133619     -2.460618      4.134880
  H      -7.734671      6.503445      1.142906
  H      -8.200820      4.943926      1.836578
  H      -7.529927      4.995235      0.179772
  H      -7.745823      6.222201      3.753785
  H      -7.012017      7.041504      5.991529
  H      -1.422802      6.755998      6.706927
  H      -2.832525      5.673822      6.925219
  H      -3.613439      5.774492      2.599195
  H      -9.508615     -3.268311      3.434007
  H      -8.263322     -4.553797      3.304959
  H      -8.304547     -3.192202      2.139752
  H      -9.183826     -1.028779      2.609634
  H      -9.236725      1.459719      2.703153
  H      -6.086427      3.670008      6.055882
  H      -5.244497      3.078653      4.629626
  H      -6.147403     -1.053644      5.670482
  N      -2.103769      3.240245      3.651008
  N      -2.332778      3.403427      2.383070
  H      -0.526295      4.963229      5.196104
  H      -3.281821      3.600551      2.033658
  H      -1.545075      3.618373      1.773285
91
Coordinates from ORCA-job orca E -6562.696773562335
  N      -1.101714      1.198210      5.485368
  Mo     -2.314630      2.870099      5.436141
  N      -4.024599      3.200666      6.432812
  C      -4.048021      3.304508      7.904766
  C      -3.000935      2.367975      8.504941
  N      -1.698876      2.595732      7.827183
  C      -0.789569      1.423005      7.889863
  C      -1.102319      0.462895      6.760706
  C      -1.031213      3.831009      8.310456
  C      -0.250260      4.477670      7.173094
  N      -1.153966      4.747026      6.021164
  H      -0.332700     -0.330461      6.740184
  H      -2.071700     -0.046451      6.944638
  H       0.239206      1.789145      7.765192
  H      -0.858004      0.927890      8.873659
  H       0.231065      5.411621      7.506174
  H       0.533658      3.798032      6.810120
  H      -1.799117      4.525189      8.677380
  H      -0.366265      3.610698      9.161940
  H      -5.036008      3.033453      8.302023
  H      -3.863290      4.348325      8.224820
  H      -3.310444      1.336644      8.298999
  H      -2.906699      2.501596      9.597889
  C      -3.625545     -5.898510      2.458284
  C      -2.932619     -4.713018      3.082179
  O      -1.929537     -4.845363      3.774964
  C      -3.503461     -3.344156      2.842533
  C      -4.586034     -3.107072      1.981626
  C      -5.087082     -1.818464      1.807437
  C      -4.522423     -0.774170      2.523975
  F      -5.015937      0.464892      2.338576
  C      -3.430741     -0.964415      3.396326
  C      -2.846922      0.142881      4.163464
  O      -3.566393      1.044504      4.640554
  C      -1.347130      0.290596      4.373007
  C      -2.926384     -2.266261      3.519718
  C      -7.568185      5.089873      1.326150
  C      -6.170531      4.978034      1.870440
  O      -5.334747      4.234600      1.356112
  C      -5.801613      5.763318      3.088669
  C      -6.742465      6.251115      4.009907
  C      -6.324949      6.812381      5.215278
  C      -4.965365      6.866352      5.497242
  F      -4.579991      7.384741      6.686922
  C      -3.991275      6.439715      4.581043
  C      -2.525339      6.356068      4.822816
  O      -1.724834      6.458533      3.901215
  C      -1.993596      5.960049      6.202501
  C      -4.444117      5.923839      3.364270
  C      -8.442751     -3.198576      2.728391
  C      -7.532271     -2.522976      3.725673
  O      -6.717945     -3.166104      4.380855
  C      -7.630815     -1.035810      3.890397
  C      -8.472296     -0.235972      3.096819
  C      -8.494230      1.147313      3.260997
  C      -7.659813      1.720827      4.213062
  F      -7.699825      3.073491      4.357155
  C      -6.810256      0.966016      5.030519
  C      -5.848317      1.521089      6.036137
  O      -5.466331      0.818913      6.961264
  C      -5.316734      2.943154      5.818116
  C      -6.826626     -0.421426      4.853596
  H      -3.096858     -6.814905      2.739609
  H      -4.670468     -5.953711      2.797907
  H      -3.645153     -5.809700      1.360837
  H      -5.045797     -3.930758      1.435525
  H      -5.915993     -1.610867      1.130324
  H      -0.961474      0.723475      3.428917
  H      -0.853070     -0.687914      4.497966
  H      -2.089144     -2.475269      4.186347
  H      -7.852939      6.142506      1.181950
  H      -8.283839      4.658957      2.045886
  H      -7.639430      4.543210      0.380463
  H      -7.810079      6.164593      3.808828
  H      -7.038472      7.191023      5.947212
  H      -1.372611      6.793364      6.577971
  H      -2.788885      5.755650      6.918969
  H      -3.699519      5.595344      2.641780
  H      -9.499718     -2.984860      2.946940
  H      -8.272143     -4.279598      2.759397
  H      -8.242807     -2.826027      1.711312
  H      -9.117995     -0.687827      2.343786
  H      -9.147688      1.784632      2.665059
  H      -6.086491      3.650451      6.185282
  H      -5.250967      3.114725      4.733705
  H      -6.172283     -1.035910      5.472799
  N      -2.148048      3.263928      3.697910
  N      -2.385049      3.453913      2.426376
  H      -0.603751      5.011438      5.305261
  H      -3.335862      3.659888      2.093872
  H      -1.604545      3.691033      1.814223
91
Coordinates from ORCA-job orca E -6562.706456505060
  N      -1.100208      1.207626      5.495622
  Mo     -2.305757      2.881251      5.440793
  N      -4.030087      3.211656      6.409158
  C      -4.078753      3.315300      7.876576
  C      -3.051362      2.369597      8.486333
  N      -1.739892      2.591916      7.831751
  C      -0.837298      1.416434      7.904446
  C      -1.129027      0.464521      6.762432
  C      -1.080137      3.815101      8.344625
  C      -0.274359      4.471009      7.240228
  N      -1.153844      4.746778      6.072433
  H      -0.361066     -0.330382      6.751226
  H      -2.103064     -0.043642      6.922680
  H       0.194662      1.780358      7.802672
  H      -0.927194      0.915935      8.883607
  H       0.195058      5.401746      7.598452
  H       0.519729      3.799159      6.885373
  H      -1.856782      4.505351      8.700517
  H      -0.435657      3.584486      9.209396
  H      -5.074085      3.044739      8.255781
  H      -3.895781      4.358020      8.202433
  H      -3.366272      1.341467      8.269781
  H      -2.971885      2.496426      9.581248
  C      -3.729763     -5.797733      2.303641
  C      -3.007683     -4.650357      2.963391
  O      -2.036884     -4.831232      3.690203
  C      -3.512009     -3.258379      2.714326
  C      -4.547986     -2.974435      1.811405
  C      -4.999879     -1.668228      1.635170
  C      -4.438290     -0.654117      2.395639
  F      -4.887093      0.603144      2.211325
  C      -3.390300     -0.892116      3.309437
  C      -2.816798      0.186331      4.120233
  O      -3.541806      1.081111      4.598794
  C      -1.323356      0.318695      4.369838
  C      -2.927313     -2.209553      3.429373
  C      -7.436023      5.226781      1.165575
  C      -6.053529      5.093547      1.742530
  O      -5.200508      4.380321      1.212291
  C      -5.723043      5.818484      3.007915
  C      -6.693933      6.258263      3.923129
  C      -6.315507      6.766686      5.164972
  C      -4.964767      6.816670      5.487496
  F      -4.613403      7.283728      6.708244
  C      -3.963287      6.435433      4.582784
  C      -2.506007      6.358776      4.866974
  O      -1.674955      6.501859      3.978996
  C      -2.021259      5.942119      6.256211
  C      -4.374664      5.971461      3.331708
  C      -8.472575     -3.397652      3.086517
  C      -7.541782     -2.660168      4.019092
  O      -6.713412     -3.261340      4.695862
  C      -7.642522     -1.165246      4.092202
  C      -8.502408     -0.421006      3.265849
  C      -8.529424      0.968987      3.343150
  C      -7.683369      1.605863      4.242845
  F      -7.735290      2.962976      4.302141
  C      -6.813784      0.909590      5.091361
  C      -5.841510      1.525135      6.055048
  O      -5.451259      0.868667      7.010334
  C      -5.315723      2.943911      5.788526
  C      -6.824647     -0.486833      4.999619
  H      -3.255799     -6.740211      2.596064
  H      -4.789006     -5.804186      2.604800
  H      -3.704392     -5.699514      1.207379
  H      -5.010843     -3.775356      1.235042
  H      -5.791353     -1.424783      0.926280
  H      -0.913301      0.765540      3.443118
  H      -0.837196     -0.664638      4.489183
  H      -2.127202     -2.455098      4.128825
  H      -7.722757      6.283937      1.066264
  H      -8.167984      4.757120      1.841983
  H      -7.477989      4.728189      0.191799
  H      -7.754875      6.177102      3.686587
  H      -7.052601      7.108393      5.891721
  H      -1.432516      6.777098      6.676578
  H      -2.842695      5.706032      6.935608
  H      -3.607371      5.682122      2.616179
  H      -9.524688     -3.168920      3.313113
  H      -8.300849     -4.474662      3.183355
  H      -8.294424     -3.091745      2.043516
  H      -9.159090     -0.922000      2.554447
  H      -9.197474      1.564099      2.720324
  H      -6.087810      3.655572      6.141940
  H      -5.247139      3.094102      4.702373
  H      -6.156779     -1.058026      5.645454
  N      -2.139272      3.266400      3.699687
  N      -2.386958      3.422330      2.427130
  H      -0.529546      4.991894      5.286099
  H      -3.340081      3.631616      2.101088
  H      -1.610098      3.647856      1.806467
91
Coordinates from ORCA-job orca E -6562.704078972869
  N      -1.094621      1.194563      5.497638
  Mo     -2.283200      2.883499      5.399267
  N      -4.001110      3.259595      6.368443
  C      -4.045702      3.392349      7.836394
  C      -3.030232      2.449255      8.471311
  N      -1.713421      2.639163      7.815463
  C      -0.827324      1.452605      7.909560
  C      -1.130720      0.481142      6.784119
  C      -1.032914      3.862342      8.298820
  C      -0.220079      4.484748      7.180708
  N      -1.102090      4.751818      6.011749
  H      -0.373785     -0.324262      6.788912
  H      -2.111068     -0.011050      6.956021
  H       0.209408      1.800767      7.801770
  H      -0.923534      0.971480      8.897821
  H       0.260451      5.415802      7.523189
  H       0.565142      3.797940      6.834875
  H      -1.798405      4.571460      8.641851
  H      -0.388946      3.641694      9.166997
  H      -5.045141      3.146010      8.221988
  H      -3.846407      4.439479      8.138776
  H      -3.358099      1.420097      8.278510
  H      -2.951928      2.601088      9.563322
  C      -3.692113     -5.880559      2.476861
  C      -2.983888     -4.705528      3.103008
  O      -2.000709     -4.854202      3.820237
  C      -3.526206     -3.328096      2.848802
  C      -4.595743     -3.078045      1.974992
  C      -5.070839     -1.781455      1.784605
  C      -4.493989     -0.741623      2.498225
  F      -4.968298      0.505274      2.303276
  C      -3.415310     -0.946178      3.384518
  C      -2.825480      0.155514      4.149189
  O      -3.536962      1.076838      4.601986
  C      -1.329116      0.277457      4.393796
  C      -2.936214     -2.256220      3.523988
  C      -7.603298      5.023635      1.408824
  C      -6.182802      4.955826      1.897292
  O      -5.328098      4.300050      1.298396
  C      -5.813833      5.674286      3.154811
  C      -6.750546      6.045526      4.134179
  C      -6.326155      6.554705      5.360942
  C      -4.962992      6.672102      5.603522
  F      -4.561021      7.127229      6.812744
  C      -3.999062      6.357346      4.635816
  C      -2.528215      6.336390      4.847512
  O      -1.742659      6.512357      3.924938
  C      -1.977988      5.940146      6.217392
  C      -4.457477      5.891663      3.402695
  C      -8.384449     -3.176470      2.738805
  C      -7.495483     -2.474153      3.736972
  O      -6.680432     -3.096261      4.410352
  C      -7.610398     -0.985173      3.870719
  C      -8.450850     -0.212040      3.051475
  C      -8.482529      1.173546      3.179900
  C      -7.660234      1.777650      4.122990
  F      -7.715185      3.131436      4.226275
  C      -6.814836      1.050859      4.971648
  C      -5.862602      1.630651      5.978191
  O      -5.481624      0.935786      6.910216
  C      -5.295203      3.037817      5.744950
  C      -6.821400     -0.341074      4.827234
  H      -3.191133     -6.806692      2.776337
  H      -4.744999     -5.907844      2.797335
  H      -3.688686     -5.801045      1.379020
  H      -5.064865     -3.897164      1.430324
  H      -5.889447     -1.564954      1.098114
  H      -0.914759      0.694865      3.455296
  H      -0.854048     -0.708202      4.538368
  H      -2.109774     -2.475334      4.201714
  H      -7.952272      6.064924      1.350876
  H      -8.265069      4.501174      2.117597
  H      -7.678743      4.542179      0.428364
  H      -7.818158      5.911401      3.959111
  H      -7.035656      6.843222      6.136571
  H      -1.390240      6.786532      6.615417
  H      -2.774513      5.694532      6.924560
  H      -3.720812      5.654608      2.637681
  H      -9.446246     -2.971582      2.942316
  H      -8.201488     -4.254817      2.789291
  H      -8.177726     -2.817771      1.718139
  H      -9.085359     -0.686214      2.302519
  H      -9.133798      1.791074      2.561048
  H      -6.046731      3.765570      6.109783
  H      -5.220450      3.206501      4.662522
  H      -6.166996     -0.935276      5.466268
  N      -2.115797      3.219162      3.647418
  N      -2.362879      3.347034      2.373617
  H      -0.538922      4.932598      5.140725
  H      -3.314232      3.552179      2.036557
  H      -1.581140      3.536003      1.747445
91
Coordinates from ORCA-job orca E -6562.706768334460
  N      -1.088739      1.231144      5.482277
  Mo     -2.294335      2.907872      5.418906
  N      -4.021438      3.236190      6.388146
  C      -4.071691      3.341780      7.856604
  C      -3.050289      2.393378      8.473723
  N      -1.733840      2.609858      7.827690
  C      -0.837591      1.429891      7.898080
  C      -1.127736      0.484653      6.748620
  C      -1.069225      3.829062      8.342909
  C      -0.258033      4.485187      7.242429
  N      -1.135083      4.769208      6.074920
  H      -0.364732     -0.315001      6.737740
  H      -2.105555     -0.018566      6.902215
  H       0.196670      1.789296      7.804143
  H      -0.934618      0.923730      8.873736
  H       0.213279      5.412848      7.606268
  H       0.534653      3.812175      6.886558
  H      -1.843385      4.522223      8.698773
  H      -0.426838      3.595044      9.208602
  H      -5.069679      3.076731      8.233640
  H      -3.884843      4.384437      8.181023
  H      -3.367657      1.365915      8.256500
  H      -2.977897      2.521432      9.569152
  C      -3.763257     -5.774963      2.342424
  C      -3.026333     -4.624233      2.979909
  O      -2.071551     -4.805464      3.727458
  C      -3.517529     -3.230483      2.712904
  C      -4.547114     -2.946365      1.802498
  C      -4.986761     -1.637755      1.611420
  C      -4.420473     -0.621162      2.365302
  F      -4.861642      0.637624      2.170905
  C      -3.379855     -0.859762      3.287712
  C      -2.803098      0.218648      4.094589
  O      -3.524085      1.121998      4.567461
  C      -1.309843      0.341987      4.354031
  C      -2.927930     -2.179935      3.421024
  C      -7.396741      5.042984      1.202730
  C      -6.005538      4.977633      1.769996
  O      -5.118551      4.318458      1.224789
  C      -5.706587      5.702371      3.042720
  C      -6.693209      6.076572      3.970318
  C      -6.333465      6.588060      5.216676
  C      -4.984844      6.705508      5.530857
  F      -4.648229      7.165418      6.758244
  C      -3.971562      6.390158      4.614486
  C      -2.511908      6.371023      4.893519
  O      -1.688989      6.550553      4.004624
  C      -2.013175      5.954093      6.277130
  C      -4.365932      5.921890      3.360257
  C      -8.523356     -3.341556      3.076292
  C      -7.592572     -2.611727      4.014845
  O      -6.771523     -3.218988      4.694723
  C      -7.674947     -1.115650      4.080387
  C      -8.523657     -0.364981      3.248456
  C      -8.531307      1.025516      3.316735
  C      -7.677726      1.656572      4.213407
  F      -7.713303      3.014268      4.264942
  C      -6.820307      0.953625      5.069327
  C      -5.845717      1.562654      6.035453
  O      -5.459417      0.903675      6.990876
  C      -5.308714      2.975967      5.767620
  C      -6.850035     -0.443013      4.985731
  H      -3.306352     -6.717890      2.659490
  H      -4.824104     -5.758258      2.637117
  H      -3.729776     -5.702577      1.244494
  H      -5.014318     -3.748614      1.231710
  H      -5.773845     -1.394721      0.897474
  H      -0.891103      0.786645      3.430014
  H      -0.829857     -0.644158      4.476150
  H      -2.134185     -2.425735      4.127817
  H      -7.741044      6.084151      1.119049
  H      -8.097830      4.525276      1.876637
  H      -7.417614      4.555684      0.222531
  H      -7.750070      5.940963      3.740246
  H      -7.082628      6.878083      5.953471
  H      -1.435292      6.792753      6.704999
  H      -2.830629      5.698886      6.955059
  H      -3.590115      5.682032      2.635650
  H      -9.574736     -3.106977      3.300733
  H      -8.358781     -4.419813      3.171568
  H      -8.340763     -3.034081      2.034554
  H      -9.185551     -0.861047      2.538439
  H      -9.190168      1.625912      2.689140
  H      -6.075420      3.692974      6.121675
  H      -5.240265      3.125984      4.681496
  H      -6.191140     -1.019266      5.636371
  N      -2.113765      3.294246      3.679855
  N      -2.352410      3.460482      2.408173
  H      -0.559874      4.985806      5.251012
  H      -3.303174      3.664869      2.071240
  H      -1.568703      3.673946      1.792517
91
Coordinates from ORCA-job orca E -6562.703253410528
  N      -1.105627      1.190457      5.511556
  Mo     -2.302464      2.865002      5.445667
  N      -4.023978      3.214556      6.405616
  C      -4.072673      3.333192      7.868501
  C      -3.050097      2.387963      8.482549
  N      -1.740244      2.596210      7.822534
  C      -0.846910      1.416506      7.910076
  C      -1.145154      0.456354      6.779238
  C      -1.070457      3.818308      8.322003
  C      -0.261358      4.453599      7.209799
  N      -1.144482      4.721674      6.046282
  H      -0.384392     -0.345515      6.775822
  H      -2.124581     -0.040766      6.941445
  H       0.187861      1.771580      7.805592
  H      -0.941692      0.927331      8.894508
  H       0.216509      5.384673      7.555812
  H       0.525252      3.770656      6.859501
  H      -1.840612      4.519118      8.671447
  H      -0.426183      3.591674      9.188040
  H      -5.069253      3.071650      8.250862
  H      -3.882605      4.377611      8.184948
  H      -3.371564      1.359573      8.276485
  H      -2.966860      2.524676      9.576005
  C      -3.725359     -5.816437      2.354686
  C      -3.018477     -4.661468      3.018298
  O      -2.040326     -4.832339      3.737602
  C      -3.535762     -3.273415      2.770970
  C      -4.582995     -2.997339      1.878508
  C      -5.040588     -1.693055      1.700231
  C      -4.471963     -0.672549      2.447264
  F      -4.924641      0.582846      2.259066
  C      -3.414164     -0.903039      3.351649
  C      -2.831212      0.180192      4.149919
  O      -3.547977      1.079744      4.630482
  C      -1.336888      0.303378      4.390402
  C      -2.947683     -2.218897      3.474835
  C      -7.518898      5.299842      1.206595
  C      -6.129997      5.137020      1.759085
  O      -5.298698      4.413983      1.207386
  C      -5.766347      5.844277      3.025215
  C      -6.714902      6.290591      3.960368
  C      -6.308138      6.780072      5.200649
  C      -4.951753      6.804047      5.501685
  F      -4.572883      7.251344      6.721398
  C      -3.971256      6.416661      4.576936
  C      -2.511144      6.312458      4.837396
  O      -1.688923      6.463169      3.942423
  C      -2.012651      5.914759      6.227294
  C      -4.410231      5.972178      3.328095
  C      -8.381306     -3.379103      2.984256
  C      -7.470964     -2.642833      3.937776
  O      -6.645627     -3.242580      4.619156
  C      -7.590909     -1.150821      4.030316
  C      -8.453008     -0.405919      3.207045
  C      -8.497464      0.982313      3.303076
  C      -7.665948      1.616892      4.217779
  F      -7.738789      2.972064      4.297958
  C      -6.794731      0.919433      5.064134
  C      -5.836854      1.533873      6.043182
  O      -5.444699      0.870520      6.993000
  C      -5.305257      2.950141      5.780481
  C      -6.789009     -0.475514      4.954026
  H      -3.236650     -6.753033      2.641634
  H      -4.783243     -5.841085      2.658402
  H      -3.704339     -5.712944      1.258856
  H      -5.048872     -3.802397      1.310436
  H      -5.840393     -1.455739      0.998625
  H      -0.927699      0.745008      3.460785
  H      -0.857258     -0.683113      4.510495
  H      -2.137943     -2.457921      4.165540
  H      -7.789835      6.362538      1.123970
  H      -8.246694      4.834262      1.890157
  H      -7.585348      4.812958      0.228199
  H      -7.780780      6.227809      3.741120
  H      -7.027724      7.125847      5.942862
  H      -1.424342      6.755739      6.635985
  H      -2.828017      5.680873      6.914511
  H      -3.659626      5.679314      2.596449
  H      -9.438775     -3.163424      3.198428
  H      -8.200033     -4.455357      3.071582
  H      -8.191525     -3.059728      1.947327
  H      -9.097456     -0.904950      2.483196
  H      -9.168168      1.577817      2.683415
  H      -6.076782      3.664319      6.129819
  H      -5.230316      3.099482      4.694917
  H      -6.118668     -1.047457      5.596713
  N      -2.136347      3.223564      3.699165
  N      -2.382065      3.363363      2.426316
  H      -0.503371      4.977416      5.284609
  H      -3.335641      3.565871      2.094786
  H      -1.605004      3.573655      1.800904
91
Coordinates from ORCA-job orca E -6562.704942636901
  N      -1.089709      1.210662      5.501453
  Mo     -2.293548      2.882487      5.435807
  N      -4.018168      3.224592      6.397041
  C      -4.069180      3.334040      7.862862
  C      -3.045173      2.389313      8.477736
  N      -1.732202      2.605061      7.824398
  C      -0.834765      1.427119      7.907516
  C      -1.126696      0.471258      6.768782
  C      -1.068623      3.827680      8.332663
  C      -0.257266      4.473274      7.227459
  N      -1.136597      4.745382      6.060648
  H      -0.362622     -0.327474      6.762281
  H      -2.103900     -0.031509      6.927637
  H       0.199100      1.786104      7.808000
  H      -0.930670      0.932259      8.889002
  H       0.215821      5.403636      7.582024
  H       0.533594      3.795623      6.876351
  H      -1.843280      4.523439      8.682298
  H      -0.427363      3.599364      9.200571
  H      -5.066131      3.067867      8.241603
  H      -3.883353      4.377495      8.185300
  H      -3.362389      1.360746      8.265739
  H      -2.967321      2.521342      9.572303
  C      -3.731923     -5.798710      2.365223
  C      -3.005754     -4.642169      3.004767
  O      -2.028766     -4.814036      3.725345
  C      -3.516353     -3.252840      2.750572
  C      -4.561443     -2.975656      1.855817
  C      -5.015139     -1.670383      1.674138
  C      -4.445327     -0.649894      2.420475
  F      -4.898627      0.605719      2.233758
  C      -3.389227     -0.881642      3.326761
  C      -2.807404      0.199883      4.126863
  O      -3.525518      1.101364      4.605940
  C      -1.313691      0.323809      4.375238
  C      -2.926063     -2.198580      3.452651
  C      -7.489471      5.107784      1.251491
  C      -6.094770      4.999795      1.802841
  O      -5.243118      4.290306      1.264708
  C      -5.750780      5.743453      3.053481
  C      -6.710876      6.181802      3.980664
  C      -6.317161      6.707918      5.210215
  C      -4.961796      6.775328      5.509247
  F      -4.594270      7.255339      6.719888
  C      -3.971693      6.397105      4.591281
  C      -2.510117      6.334114      4.854814
  O      -1.691048      6.473297      3.955195
  C      -2.008961      5.936730      6.243938
  C      -4.398513      5.915541      3.352120
  C      -8.472458     -3.327366      2.983473
  C      -7.553656     -2.605380      3.939760
  O      -6.739815     -3.217888      4.623465
  C      -7.645537     -1.111116      4.026452
  C      -8.492590     -0.353569      3.199228
  C      -8.508022      1.035707      3.286635
  C      -7.663537      1.658385      4.197495
  F      -7.704408      3.015306      4.264982
  C      -6.807940      0.948245      5.049467
  C      -5.837722      1.549299      6.025116
  O      -5.460393      0.885757      6.980931
  C      -5.300824      2.964921      5.769651
  C      -6.830680     -0.447162      4.947112
  H      -3.254088     -6.736816      2.665240
  H      -4.788541     -5.804028      2.674457
  H      -3.714707     -5.713813      1.267759
  H      -5.029723     -3.780739      1.289796
  H      -5.814203     -1.432555      0.971842
  H      -0.900402      0.768823      3.448975
  H      -0.832795     -0.662208      4.495103
  H      -2.118919     -2.438630      4.146105
  H      -7.790952      6.159920      1.143138
  H      -8.201890      4.639050      1.948851
  H      -7.544330      4.595134      0.285613
  H      -7.774769      6.084761      3.764033
  H      -7.045700      7.048202      5.946211
  H      -1.425388      6.779372      6.655816
  H      -2.825314      5.697791      6.928827
  H      -3.640434      5.627914      2.626083
  H      -9.526970     -3.099043      3.199572
  H      -8.305148     -4.406096      3.068206
  H      -8.280037     -3.007444      1.947290
  H      -9.146273     -0.843316      2.477310
  H      -9.165092      1.641301      2.662153
  H      -6.070879      3.679701      6.121148
  H      -5.225090      3.119269      4.684900
  H      -6.172145     -1.029138      5.593028
  N      -2.113544      3.254349      3.694476
  N      -2.358717      3.404517      2.420908
  H      -0.541330      4.969214      5.249508
  H      -3.310674      3.619686      2.093047
  H      -1.579013      3.629804      1.804041
91
Coordinates from ORCA-job orca E -6562.693806179448
  N      -1.052624      1.299109      5.457988
  Mo     -2.270398      2.971477      5.422191
  N      -3.998819      3.288865      6.399672
  C      -4.047990      3.370800      7.875034
  C      -3.020335      2.418203      8.480421
  N      -1.703387      2.654281      7.834479
  C      -0.795524      1.476802      7.890386
  C      -1.079304      0.539587      6.724241
  C      -1.054202      3.871289      8.381579
  C      -0.238818      4.559246      7.307656
  N      -1.104604      4.844900      6.123289
  H      -0.310097     -0.254355      6.703290
  H      -2.052396      0.025818      6.876039
  H       0.235818      1.845104      7.800649
  H      -0.888577      0.959710      8.860709
  H       0.211686      5.487107      7.697098
  H       0.570115      3.905827      6.951551
  H      -1.841645      4.547743      8.740525
  H      -0.420780      3.627731      9.251493
  H      -5.045322      3.095141      8.248038
  H      -3.866338      4.409156      8.218039
  H      -3.332889      1.392387      8.248474
  H      -2.945429      2.529996      9.577921
  C      -3.847171     -5.675978      2.319872
  C      -3.062797     -4.538711      2.922679
  O      -2.096512     -4.736492      3.650932
  C      -3.530443     -3.137092      2.658460
  C      -4.567145     -2.835667      1.761673
  C      -4.993315     -1.520814      1.582754
  C      -4.407365     -0.515672      2.337494
  F      -4.846230      0.748894      2.167515
  C      -3.356639     -0.772237      3.243596
  C      -2.768694      0.292249      4.059166
  O      -3.487696      1.189505      4.554947
  C      -1.272590      0.418233      4.313718
  C      -2.916917     -2.097989      3.361982
  C      -7.239165      4.410582      1.301967
  C      -5.851528      4.507860      1.874301
  O      -4.906411      3.890808      1.379992
  C      -5.628044      5.342013      3.094867
  C      -6.652071      5.694265      3.990479
  C      -6.348592      6.313621      5.202998
  C      -5.017242      6.557719      5.517952
  F      -4.730225      7.116801      6.716538
  C      -3.972941      6.269533      4.628984
  C      -2.521670      6.372784      4.922464
  O      -1.697155      6.543008      4.033390
  C      -2.027051      6.002683      6.319667
  C      -4.313360      5.692306      3.404334
  C      -8.667203     -3.169984      3.021423
  C      -7.719756     -2.480550      3.973565
  O      -6.919244     -3.121344      4.646892
  C      -7.756107     -0.983386      4.054187
  C      -8.576437     -0.200838      3.223544
  C      -8.535161      1.188381      3.295515
  C      -7.664185      1.786131      4.197680
  F      -7.640146      3.143273      4.240545
  C      -6.837724      1.051577      5.057792
  C      -5.845500      1.628028      6.027493
  O      -5.488333      0.962629      6.990231
  C      -5.291720      3.038645      5.777314
  C      -6.913767     -0.343138      4.967546
  H      -3.408366     -6.627478      2.636869
  H      -4.899894     -5.625863      2.642750
  H      -3.839490     -5.616396      1.221042
  H      -5.054187     -3.629690      1.196078
  H      -5.788741     -1.265075      0.882564
  H      -0.860328      0.876564      3.393281
  H      -0.786888     -0.567868      4.419820
  H      -2.120105     -2.357903      4.060371
  H      -7.672448      5.408848      1.142959
  H      -7.897558      3.883105      2.010646
  H      -7.210466      3.854354      0.359385
  H      -7.692130      5.457496      3.764417
  H      -7.126803      6.588061      5.915259
  H      -1.501241      6.868875      6.759261
  H      -2.848865      5.707916      6.977759
  H      -3.512333      5.464915      2.702624
  H      -9.711630     -2.904697      3.243620
  H      -8.537196     -4.253945      3.105485
  H      -8.469717     -2.856954      1.983985
  H      -9.249264     -0.670922      2.506060
  H      -9.166160      1.813511      2.663456
  H      -6.054340      3.757085      6.138874
  H      -5.223534      3.201333      4.693075
  H      -6.276805     -0.944242      5.617609
  N      -2.131980      3.364942      3.676338
  N      -2.417960      3.519696      2.405434
  H      -0.632070      4.991033      5.201926
  H      -3.378491      3.726353      2.103871
  H      -1.657794      3.764640      1.772084
91
Coordinates from ORCA-job orca E -6562.705874440439
  N      -1.060717      1.220396      5.485595
  Mo     -2.273385      2.888581      5.410927
  N      -4.008946      3.220153      6.362142
  C      -4.071804      3.321221      7.830899
  C      -3.049185      2.379123      8.455111
  N      -1.729705      2.605882      7.816661
  C      -0.824776      1.432535      7.901802
  C      -1.100363      0.478715      6.754760
  C      -1.080715      3.830942      8.338342
  C      -0.261421      4.488874      7.245553
  N      -1.124599      4.760824      6.063633
  H      -0.331377     -0.315328      6.751829
  H      -2.074804     -0.031994      6.905498
  H       0.207557      1.798568      7.812951
  H      -0.925600      0.932808      8.880305
  H       0.198487      5.421551      7.611218
  H       0.541076      3.820154      6.903678
  H      -1.864001      4.519736      8.682583
  H      -0.448468      3.602687      9.212962
  H      -5.071354      3.050450      8.199835
  H      -3.893393      4.364102      8.159707
  H      -3.358188      1.349586      8.235895
  H      -2.984022      2.507672      9.551028
  C      -3.736462     -5.813921      2.439455
  C      -2.979293     -4.651312      3.030141
  O      -2.016418     -4.819590      3.770268
  C      -3.471479     -3.261490      2.743787
  C      -4.505794     -2.989573      1.834910
  C      -4.950139     -1.683991      1.632653
  C      -4.383526     -0.657755      2.373770
  F      -4.837113      0.596354      2.176930
  C      -3.336639     -0.883884      3.292198
  C      -2.763510      0.200524      4.093707
  O      -3.487049      1.104068      4.565223
  C      -1.271668      0.329141      4.356570
  C      -2.880795     -2.201693      3.436807
  C      -7.523007      5.084375      1.312089
  C      -6.116830      4.995051      1.837526
  O      -5.261163      4.314418      1.270020
  C      -5.766768      5.724201      3.095313
  C      -6.723614      6.131771      4.039802
  C      -6.325872      6.653419      5.269631
  C      -4.968861      6.749441      5.551033
  F      -4.596227      7.225275      6.761798
  C      -3.982022      6.400732      4.618098
  C      -2.517400      6.371822      4.873362
  O      -1.708737      6.504781      3.963483
  C      -2.002420      5.950100      6.251542
  C      -4.413543      5.918391      3.380266
  C      -8.570127     -3.304956      2.999257
  C      -7.643212     -2.590714      3.953501
  O      -6.837178     -3.210525      4.639764
  C      -7.702526     -1.093933      4.019407
  C      -8.527218     -0.329496      3.176246
  C      -8.505522      1.060931      3.238135
  C      -7.648408      1.677377      4.141382
  F      -7.644577      3.035695      4.175490
  C      -6.818052      0.960520      5.012461
  C      -5.838321      1.553530      5.983702
  O      -5.484914      0.897881      6.954089
  C      -5.290637      2.965015      5.726911
  C      -6.875901     -0.435375      4.933453
  H      -3.280684     -6.750944      2.775070
  H      -4.791795     -5.781436      2.751530
  H      -3.720832     -5.772645      1.339535
  H      -4.975723     -3.799369      1.277070
  H      -5.743342     -1.450989      0.922103
  H      -0.850441      0.773554      3.433596
  H      -0.788982     -0.655397      4.482511
  H      -2.084856     -2.438263      4.144294
  H      -7.847693      6.131929      1.229114
  H      -8.213937      4.587885      2.011656
  H      -7.583987      4.589380      0.337440
  H      -7.788019      6.018081      3.834234
  H      -7.052160      6.971097      6.017849
  H      -1.418709      6.788927      6.670936
  H      -2.817166      5.704488      6.936461
  H      -3.659031      5.652632      2.642342
  H      -9.621214     -3.056642      3.210064
  H      -8.421916     -4.385652      3.094011
  H      -8.369129     -2.997238      1.961041
  H      -9.188661     -0.814533      2.458216
  H      -9.141263      1.672423      2.597572
  H      -6.058411      3.685488      6.072234
  H      -5.209311      3.116773      4.642209
  H      -6.235672     -1.022927      5.592624
  N      -2.073235      3.267796      3.673515
  N      -2.305010      3.423984      2.398743
  H      -0.575689      4.944084      5.205050
  H      -3.253798      3.637632      2.062412
  H      -1.519589      3.661300      1.793582
91
Coordinates from ORCA-job orca E -6562.704755063454
  N      -1.100342      1.231949      5.477224
  Mo     -2.322029      2.893721      5.459997
  N      -4.028645      3.212231      6.464221
  C      -4.048514      3.301937      7.933383
  C      -3.005828      2.355437      8.514762
  N      -1.707953      2.591108      7.836844
  C      -0.796586      1.420587      7.884543
  C      -1.102270      0.476694      6.737688
  C      -1.048077      3.814437      8.349103
  C      -0.263437      4.483907      7.239475
  N      -1.161222      4.758452      6.084924
  H      -0.331395     -0.314773      6.704742
  H      -2.071022     -0.037635      6.910905
  H       0.231371      1.791539      7.768941
  H      -0.866909      0.911172      8.860686
  H       0.203337      5.415661      7.598584
  H       0.530932      3.820738      6.869168
  H      -1.824103      4.496554      8.721720
  H      -0.388848      3.582479      9.202557
  H      -5.035743      3.025327      8.329633
  H      -3.861364      4.342357      8.265740
  H      -3.320320      1.327255      8.295819
  H      -2.905535      2.473575      9.609044
  C      -3.714996     -5.767076      2.303615
  C      -2.997172     -4.606896      2.945845
  O      -1.988758     -4.769500      3.624155
  C      -3.545195     -3.224466      2.734985
  C      -4.626933     -2.953339      1.882835
  C      -5.110764     -1.654084      1.738716
  C      -4.531567     -0.634168      2.478704
  F      -5.013255      0.616027      2.328077
  C      -3.439329     -0.859727      3.342561
  C      -2.844892      0.219647      4.135134
  O      -3.556401      1.113176      4.641535
  C      -1.345545      0.354551      4.345600
  C      -2.950119     -2.170348      3.433014
  C      -7.301561      5.142612      1.021829
  C      -5.929752      5.046470      1.631617
  O      -5.030866      4.396799      1.095439
  C      -5.665031      5.732985      2.933314
  C      -6.676456      6.096145      3.838685
  C      -6.351106      6.576133      5.107319
  C      -5.011746      6.675365      5.464917
  F      -4.708278      7.112363      6.709440
  C      -3.974409      6.369137      4.572943
  C      -2.523160      6.343170      4.888084
  O      -1.680045      6.534013      4.020747
  C      -2.052100      5.932274      6.282678
  C      -4.333661      5.929636      3.298084
  C      -8.453384     -3.323450      3.010279
  C      -7.525733     -2.605152      3.960741
  O      -6.684034     -3.216546      4.610889
  C      -7.647775     -1.116110      4.088115
  C      -8.530647     -0.357200      3.300737
  C      -8.572917      1.028736      3.423191
  C      -7.718440      1.647212      4.327513
  F      -7.789575      3.000091      4.431821
  C      -6.827920      0.935195      5.141583
  C      -5.847730      1.532242      6.110203
  O      -5.428132      0.849539      7.034543
  C      -5.325093      2.954316      5.863571
  C      -6.825016     -0.457540      5.005687
  H      -3.202904     -6.698721      2.564782
  H      -4.759514     -5.808282      2.648786
  H      -3.738513     -5.656617      1.208522
  H      -5.099973     -3.758134      1.320319
  H      -5.938977     -1.420731      1.069466
  H      -0.959467      0.812745      3.414127
  H      -0.853729     -0.628775      4.442213
  H      -2.113336     -2.405617      4.092167
  H      -7.632998      6.189272      0.956124
  H      -8.029144      4.613889      1.657656
  H      -7.295144      4.683151      0.028105
  H      -7.726914      5.978398      3.572279
  H      -7.120152      6.858888      5.826272
  H      -1.492424      6.777228      6.722493
  H      -2.878945      5.664851      6.944834
  H      -3.537988      5.699498      2.591554
  H      -9.506629     -3.121749      3.256914
  H      -8.262542     -4.400201      3.065154
  H      -8.292623     -2.975571      1.977717
  H      -9.192161     -0.843149      2.583405
  H      -9.258353      1.635173      2.830897
  H      -6.090172      3.658950      6.245466
  H      -5.277095      3.126239      4.779934
  H      -6.139168     -1.040950      5.621201
  N      -2.192176      3.288090      3.717618
  N      -2.472690      3.451958      2.454219
  H      -0.574981      4.996043      5.270324
  H      -3.434932      3.656786      2.156045
  H      -1.715257      3.695652      1.817068
91
Coordinates from ORCA-job orca E -6562.706087888082
  N      -1.060847      1.218002      5.505823
  Mo     -2.260409      2.894551      5.410520
  N      -3.999314      3.256264      6.346277
  C      -4.070802      3.380814      7.812897
  C      -3.066663      2.429784      8.454226
  N      -1.739234      2.629335      7.822253
  C      -0.852882      1.441831      7.924321
  C      -1.129271      0.484222      6.779205
  C      -1.075652      3.846533      8.345174
  C      -0.238955      4.489457      7.259477
  N      -1.093208      4.764292      6.068786
  H      -0.372638     -0.321594      6.791179
  H      -2.114068     -0.009290      6.920294
  H       0.185858      1.791614      7.845333
  H      -0.972554      0.949504      8.904463
  H       0.228026      5.418047      7.626760
  H       0.557760      3.810649      6.923958
  H      -1.853217      4.546739      8.679136
  H      -0.454566      3.613503      9.226599
  H      -5.076714      3.128389      8.177865
  H      -3.879382      4.425360      8.129376
  H      -3.391021      1.403104      8.243926
  H      -3.005867      2.568387      9.549197
  C      -3.780199     -5.773053      2.359245
  C      -3.038623     -4.631598      3.006613
  O      -2.068425     -4.820895      3.732059
  C      -3.512927     -3.233649      2.734342
  C      -4.539381     -2.941413      1.823044
  C      -4.965948     -1.629095      1.628930
  C      -4.390840     -0.616891      2.382022
  F      -4.818471      0.646774      2.184323
  C      -3.351026     -0.863664      3.303189
  C      -2.764154      0.210327      4.106967
  O      -3.478756      1.123576      4.574779
  C      -1.272317      0.324082      4.377158
  C      -2.910989     -2.187828      3.438204
  C      -7.517159      5.047940      1.296189
  C      -6.112000      4.952226      1.825042
  O      -5.255063      4.274459      1.256554
  C      -5.764916      5.667278      3.091857
  C      -6.721554      6.057168      4.044277
  C      -6.322937      6.563985      5.280456
  C      -4.965489      6.662931      5.559446
  F      -4.591762      7.125817      6.775143
  C      -3.980020      6.331536      4.618502
  C      -2.514823      6.303069      4.865088
  O      -1.706092      6.487357      3.964061
  C      -1.997378      5.933133      6.254600
  C      -4.412584      5.866150      3.374735
  C      -8.513826     -3.315333      3.031343
  C      -7.585748     -2.587901      3.974370
  O      -6.784725     -3.199760      4.673894
  C      -7.659407     -1.090787      4.032739
  C      -8.496223     -0.340034      3.188975
  C      -8.496926      1.050738      3.249330
  C      -7.648207      1.682141      4.150184
  F      -7.673420      3.039675      4.190802
  C      -6.802955      0.979647      5.018347
  C      -5.835343      1.591258      5.990111
  O      -5.460128      0.936904      6.953217
  C      -5.279660      2.995600      5.709858
  C      -6.839479     -0.417466      4.942512
  H      -3.326776     -6.720809      2.666793
  H      -4.841204     -5.754164      2.655831
  H      -3.746939     -5.689469      1.262165
  H      -5.015220     -3.740455      1.254836
  H      -5.749838     -1.379832      0.913606
  H      -0.841972      0.763410      3.456012
  H      -0.799268     -0.664620      4.507561
  H      -2.118873     -2.439984      4.144426
  H      -7.840037      6.096495      1.218521
  H      -8.211628      4.548271      1.990482
  H      -7.576245      4.559043      0.318415
  H      -7.786084      5.938521      3.841069
  H      -7.048737      6.866667      6.035327
  H      -1.445519      6.795442      6.669720
  H      -2.808576      5.665322      6.935432
  H      -3.659475      5.613565      2.630140
  H      -9.564955     -3.069515      3.244405
  H      -8.360319     -4.394416      3.135572
  H      -8.318741     -3.016748      1.989301
  H      -9.154299     -0.836418      2.475601
  H      -9.146131      1.651196      2.611875
  H      -6.046209      3.723433      6.042827
  H      -5.194685      3.130815      4.622667
  H      -6.190476     -0.993719      5.603005
  N      -2.073257      3.249388      3.662747
  N      -2.327688      3.382028      2.385073
  H      -0.501939      4.985541      5.262591
  H      -3.279364      3.588044      2.057650
  H      -1.552943      3.604322      1.760913
91
Coordinates from ORCA-job orca E -6562.705740778817
  N      -1.062369      1.223913      5.489430
  Mo     -2.283086      2.887951      5.419892
  N      -4.015062      3.217323      6.382214
  C      -4.072449      3.313838      7.853242
  C      -3.044569      2.373927      8.472925
  N      -1.726652      2.605641      7.831442
  C      -0.819161      1.432864      7.909659
  C      -1.097032      0.480597      6.759541
  C      -1.078391      3.830734      8.356761
  C      -0.260096      4.494343      7.267373
  N      -1.122131      4.771893      6.085201
  H      -0.326831     -0.312015      6.752564
  H      -2.070422     -0.031316      6.912189
  H       0.212243      1.801019      7.818977
  H      -0.916928      0.930086      8.886740
  H       0.201471      5.424555      7.637075
  H       0.540904      3.826234      6.920788
  H      -1.862805      4.516353      8.704447
  H      -0.444991      3.599812      9.229772
  H      -5.069703      3.038091      8.224426
  H      -3.897327      4.356305      8.183896
  H      -3.351735      1.344212      8.252236
  H      -2.976256      2.499792      9.568858
  C      -3.713968     -5.798202      2.379328
  C      -2.966289     -4.638710      2.987510
  O      -1.989365     -4.808609      3.708557
  C      -3.479104     -3.250301      2.733160
  C      -4.530198     -2.975707      1.844461
  C      -4.987866     -1.671444      1.665008
  C      -4.417112     -0.649603      2.408786
  F      -4.879031      0.604433      2.228878
  C      -3.354244     -0.878757      3.308315
  C      -2.771463      0.201881      4.105442
  O      -3.490942      1.107957      4.582104
  C      -1.277368      0.331434      4.359794
  C      -2.886720     -2.194861      3.430996
  C      -7.491252      5.020649      1.298274
  C      -6.099505      4.907685      1.857616
  O      -5.259972      4.162950      1.350036
  C      -5.746516      5.690988      3.081792
  C      -6.704094      6.171941      3.990178
  C      -6.308219      6.741915      5.199071
  C      -4.952894      6.813747      5.495858
  F      -4.585147      7.346274      6.684454
  C      -3.963584      6.394494      4.594349
  C      -2.501864      6.348354      4.862866
  O      -1.684500      6.439156      3.955539
  C      -2.002048      5.963310      6.257325
  C      -4.392340      5.864557      3.374922
  C      -8.555316     -3.296331      2.966466
  C      -7.623685     -2.589888      3.921993
  O      -6.806358     -3.214558      4.590231
  C      -7.697726     -1.095118      4.015953
  C      -8.544625     -0.325202      3.200108
  C      -8.540219      1.063836      3.288979
  C      -7.676825      1.673862      4.190486
  F      -7.692363      3.030551      4.254169
  C      -6.822706      0.951425      5.033506
  C      -5.835228      1.539816      5.999850
  O      -5.460514      0.872140      6.953946
  C      -5.300319      2.958772      5.754253
  C      -6.864764     -0.443496      4.929304
  H      -3.243608     -6.736380      2.690707
  H      -4.767225     -5.785267      2.700416
  H      -3.707421     -5.732679      1.280576
  H      -5.000949     -3.782058      1.282403
  H      -5.791849     -1.435966      0.967565
  H      -0.862138      0.779660      3.436219
  H      -0.791272     -0.651832      4.481457
  H      -2.075183     -2.433017      4.120055
  H      -7.770527      6.073425      1.145173
  H      -8.215934      4.596408      2.011042
  H      -7.553985      4.470331      0.353821
  H      -7.768555      6.075218      3.775795
  H      -7.035256      7.115917      5.920050
  H      -1.423759      6.811026      6.665725
  H      -2.821218      5.727630      6.939359
  H      -3.636566      5.540875      2.661276
  H      -9.606018     -3.065759      3.198539
  H      -8.392498     -4.376763      3.037287
  H      -8.374651     -2.965366      1.931741
  H      -9.212348     -0.804907      2.484315
  H      -9.194865      1.679173      2.671519
  H      -6.070832      3.669212      6.113669
  H      -5.228595      3.123206      4.670761
  H      -6.206906     -1.035256      5.567020
  N      -2.100601      3.270942      3.679980
  N      -2.364194      3.420899      2.407371
  H      -0.565193      4.962650      5.221981
  H      -3.318173      3.646004      2.095805
  H      -1.592949      3.670433      1.788977
91
Coordinates from ORCA-job orca E -6562.706722508306
  N      -1.060511      1.228568      5.475234
  Mo     -2.287768      2.886085      5.420884
  N      -4.010089      3.211427      6.395525
  C      -4.054585      3.303700      7.865398
  C      -3.015252      2.366953      8.470819
  N      -1.705764      2.604305      7.814063
  C      -0.791647      1.437252      7.885548
  C      -1.076323      0.483498      6.742241
  C      -1.053708      3.831962      8.328293
  C      -0.255504      4.498311      7.223516
  N      -1.141397      4.778287      6.063167
  H      -0.300127     -0.303129      6.726743
  H      -2.044171     -0.035443      6.905309
  H       0.236615      1.811022      7.782398
  H      -0.875858      0.936093      8.864745
  H       0.211496      5.428713      7.585682
  H       0.539625      3.832333      6.859783
  H      -1.834243      4.515161      8.689241
  H      -0.405222      3.602574      9.190332
  H      -5.046787      3.023146      8.245802
  H      -3.880147      4.346089      8.196643
  H      -3.320225      1.335990      8.252572
  H      -2.934803      2.491880      9.565850
  C      -3.692123     -5.822416      2.434759
  C      -2.938728     -4.651689      3.014269
  O      -1.950682     -4.808698      3.723092
  C      -3.466664     -3.268830      2.758956
  C      -4.528930     -3.006910      1.879794
  C      -4.998726     -1.707263      1.698766
  C      -4.428829     -0.677210      2.431825
  F      -4.901406      0.571621      2.249338
  C      -3.355967     -0.893488      3.322387
  C      -2.775437      0.194909      4.112653
  O      -3.497660      1.092765      4.596570
  C      -1.280874      0.336543      4.349009
  C      -2.876653     -2.205037      3.446498
  C      -7.443021      5.014737      1.250500
  C      -6.045813      4.966291      1.804774
  O      -5.155805      4.315068      1.256137
  C      -5.742217      5.703732      3.069880
  C      -6.723058      6.078597      4.003011
  C      -6.355696      6.599759      5.242888
  C      -5.005117      6.722906      5.546878
  F      -4.662712      7.189708      6.770174
  C      -3.997137      6.404234      4.625559
  C      -2.535501      6.387790      4.894064
  O      -1.721757      6.538025      3.991122
  C      -2.023683      5.959633      6.270715
  C      -4.400551      5.931338      3.375652
  C      -8.605785     -3.242500      2.941300
  C      -7.678055     -2.551052      3.911543
  O      -6.880620     -3.188541      4.591775
  C      -7.725290     -1.055025      4.001220
  C      -8.546086     -0.270770      3.172268
  C      -8.518040      1.118325      3.260114
  C      -7.656608      1.713526      4.173454
  F      -7.648050      3.071247      4.235742
  C      -6.827410      0.976069      5.028593
  C      -5.840094      1.547142      6.004538
  O      -5.481212      0.873213      6.960082
  C      -5.296681      2.963379      5.769357
  C      -6.892988     -0.417792      4.925074
  H      -3.212155     -6.754280      2.750414
  H      -4.739313     -5.809553      2.773631
  H      -3.705078     -5.772141      1.335084
  H      -4.998736     -3.819763      1.326302
  H      -5.811474     -1.481383      1.008308
  H      -0.878899      0.786789      3.420542
  H      -0.786829     -0.642979      4.466975
  H      -2.056630     -2.433218      4.128718
  H      -7.793805      6.052903      1.155967
  H      -8.135057      4.502963      1.937859
  H      -7.470166      4.514739      0.276811
  H      -7.780945      5.935513      3.782314
  H      -7.100048      6.890420      5.984302
  H      -1.445551      6.799490      6.696009
  H      -2.833212      5.701654      6.956414
  H      -3.629011      5.689567      2.647663
  H      -9.656389     -2.993250      3.153548
  H      -8.463173     -4.325474      3.016303
  H      -8.400077     -2.916529      1.909610
  H      -9.211703     -0.739499      2.447365
  H      -9.152241      1.744647      2.632460
  H      -6.062712      3.676927      6.131609
  H      -5.223551      3.131724      4.686323
  H      -6.254899     -1.020802      5.572258
  N      -2.119952      3.268974      3.680272
  N      -2.395510      3.408570      2.408907
  H      -0.572854      5.008442      5.238659
  H      -3.357822      3.619391      2.110138
  H      -1.637047      3.683304      1.785230
91
Coordinates from ORCA-job orca E -6562.706468754811
  N      -1.096207      1.216498      5.489251
  Mo     -2.296495      2.894077      5.415131
  N      -4.022506      3.252922      6.373843
  C      -4.078120      3.361851      7.840702
  C      -3.067814      2.405487      8.462562
  N      -1.746814      2.609517      7.821498
  C      -0.859068      1.423418      7.903733
  C      -1.147932      0.474679      6.757036
  C      -1.075617      3.824760      8.337055
  C      -0.251396      4.469371      7.240280
  N      -1.119557      4.756345      6.068990
  H      -0.390146     -0.329897      6.753556
  H      -2.130152     -0.021071      6.906605
  H       0.178186      1.775193      7.814516
  H      -0.966006      0.923056      8.881315
  H       0.226842      5.393301      7.604908
  H       0.536297      3.787638      6.889972
  H      -1.846724      4.525452      8.684830
  H      -0.441282      3.588438      9.208070
  H      -5.079992      3.105514      8.213412
  H      -3.883485      4.403552      8.164513
  H      -3.393496      1.379936      8.246333
  H      -2.998290      2.535018      9.557855
  C      -3.747304     -5.779320      2.337517
  C      -3.032336     -4.624439      2.992485
  O      -2.038916     -4.794707      3.690784
  C      -3.545868     -3.234843      2.743837
  C      -4.594967     -2.955991      1.854167
  C      -5.046307     -1.649704      1.673742
  C      -4.470607     -0.629791      2.416124
  F      -4.916885      0.627625      2.224920
  C      -3.411710     -0.863182      3.319047
  C      -2.818899      0.215763      4.111600
  O      -3.526642      1.131895      4.584069
  C      -1.324116      0.327466      4.362651
  C      -2.950861     -2.181591      3.443124
  C      -7.452411      5.016295      1.277184
  C      -6.058434      4.932228      1.834845
  O      -5.195415      4.227507      1.308343
  C      -5.727652      5.693385      3.078079
  C      -6.693059      6.118848      4.005997
  C      -6.304845      6.657135      5.232504
  C      -4.949584      6.750155      5.526235
  F      -4.585034      7.234838      6.735934
  C      -3.956709      6.385650      4.606144
  C      -2.495196      6.333129      4.868173
  O      -1.676778      6.499476      3.972547
  C      -1.993846      5.943374      6.257857
  C      -4.378583      5.891189      3.371488
  C      -8.428290     -3.332951      3.006245
  C      -7.520485     -2.593829      3.959948
  O      -6.711074     -3.193358      4.660202
  C      -7.627028     -1.099849      4.033852
  C      -8.478822     -0.357621      3.197854
  C      -8.510032      1.031907      3.275887
  C      -7.674679      1.670620      4.184160
  F      -7.738841      3.026802      4.246385
  C      -6.813336      0.975824      5.043966
  C      -5.854877      1.591760      6.022824
  O      -5.453177      0.925152      6.966576
  C      -5.307273      2.998570      5.748851
  C      -6.822088     -0.420467      4.952011
  H      -3.258296     -6.716326      2.622674
  H      -4.802724     -5.801048      2.649126
  H      -3.733950     -5.678477      1.241160
  H      -5.066940     -3.760099      1.289814
  H      -5.846856     -1.410576      0.973573
  H      -0.903914      0.768497      3.437739
  H      -0.851217     -0.661819      4.486009
  H      -2.140011     -2.422797      4.131698
  H      -7.764196      6.063274      1.149787
  H      -8.162674      4.552131      1.979545
  H      -7.498342      4.487109      0.319772
  H      -7.755663      5.998706      3.794699
  H      -7.036997      6.984833      5.970601
  H      -1.418331      6.790102      6.673643
  H      -2.810290      5.695877      6.940452
  H      -3.618605      5.610019      2.645002
  H      -9.485953     -3.115911      3.219070
  H      -8.248517     -4.409015      3.098492
  H      -8.237926     -3.017371      1.968425
  H      -9.126246     -0.859776      2.478894
  H      -9.173504      1.625881      2.647040
  H      -6.070857      3.722557      6.095227
  H      -5.231629      3.141881      4.662321
  H      -6.160884     -0.991031      5.605400
  N      -2.110571      3.270664      3.673800
  N      -2.368991      3.421927      2.403247
  H      -0.508064      4.979971      5.274629
  H      -3.321914      3.650348      2.087361
  H      -1.596096      3.655719      1.780791
91
Coordinates from ORCA-job orca E -6562.706999682375
  N      -1.068805      1.230955      5.478855
  Mo     -2.289783      2.895978      5.413921
  N      -4.014974      3.231769      6.386357
  C      -4.063339      3.336558      7.855251
  C      -3.040638      2.389784      8.471521
  N      -1.724857      2.611488      7.825927
  C      -0.824664      1.433850      7.897534
  C      -1.110033      0.486382      6.746932
  C      -1.066326      3.831533      8.345208
  C      -0.250955      4.489007      7.250824
  N      -1.119693      4.770425      6.076136
  H      -0.346834     -0.313031      6.738523
  H      -2.088276     -0.016581      6.898819
  H       0.208657      1.796335      7.805740
  H      -0.922136      0.927266      8.872909
  H       0.216216      5.417237      7.619013
  H       0.545173      3.817576      6.899655
  H      -1.844234      4.522503      8.697211
  H      -0.427905      3.598763      9.214367
  H      -5.061086      3.071168      8.232932
  H      -3.876118      4.379061      8.180305
  H      -3.355659      1.361763      8.253268
  H      -2.968240      2.517013      9.567091
  C      -3.708625     -5.788355      2.368204
  C      -2.984648     -4.626695      3.000649
  O      -2.001105     -4.792044      3.713829
  C      -3.507817     -3.240738      2.752912
  C      -4.567973     -2.970412      1.873757
  C      -5.030899     -1.667608      1.697063
  C      -4.455291     -0.642974      2.433072
  F      -4.918247      0.610188      2.251405
  C      -3.384707     -0.867676      3.324525
  C      -2.793379      0.215672      4.111102
  O      -3.504797      1.126345      4.590903
  C      -1.297160      0.340454      4.351681
  C      -2.912842     -2.182688      3.444584
  C      -7.412602      5.049306      1.204991
  C      -6.022382      4.964254      1.771894
  O      -5.143136      4.298938      1.221437
  C      -5.713018      5.685291      3.044156
  C      -6.694642      6.061589      3.976168
  C      -6.328401      6.571753      5.221194
  C      -4.978258      6.687083      5.528980
  F      -4.635358      7.150041      6.753476
  C      -3.969539      6.370283      4.608289
  C      -2.509019      6.351998      4.883737
  O      -1.687210      6.538931      3.995564
  C      -2.011107      5.946709      6.271542
  C      -4.369751      5.899916      3.356510
  C      -8.525599     -3.289090      2.980215
  C      -7.592037     -2.575968      3.928773
  O      -6.763501     -3.194042      4.589329
  C      -7.684820     -1.082942      4.033186
  C      -8.548092     -0.318551      3.229514
  C      -8.562038      1.069732      3.329705
  C      -7.700116      1.684813      4.229305
  F      -7.741595      3.040510      4.309881
  C      -6.828676      0.967522      5.059239
  C      -5.843574      1.560771      6.025328
  O      -5.444124      0.885475      6.963943
  C      -5.303283      2.974148      5.767322
  C      -6.853265     -0.426917      4.944680
  H      -3.220999     -6.722929      2.663498
  H      -4.762236     -5.802376      2.687867
  H      -3.702660     -5.702827      1.270759
  H      -5.041013     -3.778621      1.316271
  H      -5.841962     -1.435440      1.006723
  H      -0.888161      0.786911      3.424356
  H      -0.814061     -0.644759      4.469307
  H      -2.094682     -2.417823      4.126655
  H      -7.741519      6.095354      1.120400
  H      -8.120952      4.542649      1.879361
  H      -7.441003      4.561721      0.225067
  H      -7.752887      5.928685      3.750945
  H      -7.073842      6.863954      5.960889
  H      -1.448810      6.793552      6.704087
  H      -2.831047      5.681438      6.942646
  H      -3.598425      5.657131      2.627889
  H      -9.576523     -3.071669      3.223517
  H      -8.349328     -4.367826      3.043981
  H      -8.358762     -2.951141      1.945348
  H      -9.215774     -0.801889      2.516131
  H      -9.231341      1.680928      2.723960
  H      -6.068592      3.690475      6.126561
  H      -5.236489      3.131032      4.682221
  H      -6.183012     -1.014438      5.573307
  N      -2.129596      3.272517      3.668500
  N      -2.404448      3.421064      2.401633
  H      -0.532442      4.991926      5.257030
  H      -3.365059      3.621071      2.089867
  H      -1.640132      3.644759      1.764992
91
Coordinates from ORCA-job orca E -6562.706513318310
  N      -1.065136      1.217646      5.485341
  Mo     -2.278225      2.885800      5.408922
  N      -4.009288      3.228793      6.361585
  C      -4.071385      3.326523      7.830184
  C      -3.047081      2.384025      8.452121
  N      -1.727260      2.608388      7.813304
  C      -0.822225      1.435710      7.898511
  C      -1.099569      0.479276      6.756025
  C      -1.072337      3.834411      8.327539
  C      -0.255955      4.489060      7.228039
  N      -1.127673      4.768106      6.058000
  H      -0.327735     -0.311821      6.752918
  H      -2.072026     -0.033850      6.910343
  H       0.209533      1.802541      7.805632
  H      -0.920189      0.938290      8.878418
  H       0.213562      5.418003      7.590944
  H       0.538686      3.815433      6.877635
  H      -1.852111      4.525384      8.675126
  H      -0.435373      3.606143      9.198434
  H      -5.070082      3.054009      8.198956
  H      -3.893959      4.368901      8.160105
  H      -3.356719      1.354632      8.232976
  H      -2.981529      2.511945      9.547842
  C      -3.701716     -5.830651      2.443749
  C      -2.952815     -4.662379      3.033566
  O      -1.968134     -4.821764      3.746602
  C      -3.469667     -3.277873      2.765883
  C      -4.520749     -3.014562      1.873944
  C      -4.980531     -1.713230      1.680777
  C      -4.412187     -0.682563      2.413974
  F      -4.873066      0.568356      2.217579
  C      -3.349864     -0.899985      3.316716
  C      -2.771850      0.189574      4.107251
  O      -3.493457      1.096834      4.573251
  C      -1.279357      0.320907      4.361817
  C      -2.880290     -2.213809      3.453632
  C      -7.549053      4.941070      1.413959
  C      -6.139013      4.884692      1.932309
  O      -5.289013      4.161445      1.410178
  C      -5.780958      5.683970      3.144122
  C      -6.728120      6.142442      4.074559
  C      -6.316903      6.717654      5.275715
  C      -4.956775      6.810186      5.545325
  F      -4.572077      7.333740      6.732292
  C      -3.979769      6.412836      4.621190
  C      -2.513119      6.365354      4.862432
  O      -1.710296      6.481793      3.945116
  C      -1.991749      5.964377      6.242936
  C      -4.425617      5.886259      3.407330
  C      -8.571478     -3.248381      2.910854
  C      -7.651092     -2.547474      3.881197
  O      -6.865646     -3.179005      4.580788
  C      -7.699662     -1.050397      3.956684
  C      -8.510401     -0.273896      3.110786
  C      -8.484504      1.115993      3.187687
  C      -7.635426      1.719501      4.107120
  F      -7.629776      3.078093      4.158101
  C      -6.815745      0.990242      4.978199
  C      -5.838096      1.568351      5.960190
  O      -5.494175      0.902408      6.926666
  C      -5.289310      2.982231      5.721607
  C      -6.879155     -0.404536      4.885169
  H      -3.225492     -6.763678      2.761662
  H      -4.752162     -5.817522      2.772943
  H      -3.704715     -5.777928      1.344053
  H      -4.990000     -3.827797      1.320443
  H      -5.784591     -1.486306      0.980570
  H      -0.862378      0.762590      3.435798
  H      -0.794349     -0.661516      4.491568
  H      -2.069488     -2.443345      4.146180
  H      -7.870357      5.981563      1.259520
  H      -8.235451      4.498873      2.153497
  H      -7.620060      4.378347      0.477447
  H      -7.794584      6.021324      3.884433
  H      -7.034797      7.073390      6.014865
  H      -1.397783      6.805441      6.643476
  H      -2.798453      5.734111      6.941851
  H      -3.678109      5.580757      2.677938
  H      -9.623506     -2.993436      3.108780
  H      -8.432871     -4.330732      3.000795
  H      -8.353848     -2.935991      1.877419
  H      -9.166946     -0.749431      2.382041
  H      -9.111578      1.736587      2.547290
  H      -6.057617      3.700903      6.068896
  H      -5.201790      3.142118      4.638375
  H      -6.248954     -1.001600      5.545400
  N      -2.079081      3.270100      3.672197
  N      -2.329405      3.416478      2.396374
  H      -0.543478      4.980243      5.243708
  H      -3.281886      3.650245      2.080014
  H      -1.554484      3.676315      1.786430
91
Coordinates from ORCA-job orca E -6562.707204249706
  N      -1.080082      1.222226      5.481500
  Mo     -2.292766      2.891855      5.418119
  N      -4.016829      3.234096      6.385744
  C      -4.067125      3.334479      7.854318
  C      -3.043403      2.386806      8.468386
  N      -1.727639      2.607289      7.821479
  C      -0.826887      1.430447      7.895819
  C      -1.113782      0.479677      6.750075
  C      -1.066730      3.828754      8.336568
  C      -0.254676      4.484280      7.236452
  N      -1.130194      4.765807      6.068822
  H      -0.346867     -0.316195      6.740906
  H      -2.088930     -0.027812      6.906485
  H       0.205908      1.793444      7.799749
  H      -0.921585      0.928075      8.873607
  H       0.216534      5.412081      7.600302
  H       0.538252      3.810854      6.881872
  H      -1.843002      4.520701      8.690157
  H      -0.425679      3.596586      9.203662
  H      -5.064492      3.066714      8.230651
  H      -3.881871      4.376334      8.182221
  H      -3.358935      1.358987      8.249794
  H      -2.970124      2.513012      9.563911
  C      -3.710136     -5.802147      2.377343
  C      -2.979220     -4.637741      2.996731
  O      -1.987257     -4.799850      3.698972
  C      -3.506810     -3.253120      2.750910
  C      -4.568578     -2.984990      1.873106
  C      -5.035307     -1.683447      1.697978
  C      -4.461857     -0.657706      2.434149
  F      -4.927920      0.594016      2.253484
  C      -3.389204     -0.880057      3.323532
  C      -2.802089      0.204643      4.113292
  O      -3.516746      1.112600      4.589862
  C      -1.306803      0.330998      4.355756
  C      -2.914191     -2.193768      3.442975
  C      -7.441680      5.043879      1.243721
  C      -6.049436      4.959642      1.805218
  O      -5.177906      4.275539      1.265701
  C      -5.730628      5.696680      3.066161
  C      -6.704741      6.089517      3.999049
  C      -6.328471      6.611915      5.235718
  C      -4.975897      6.720812      5.535699
  F      -4.623867      7.194308      6.753482
  C      -3.973970      6.387313      4.613310
  C      -2.511351      6.361923      4.878686
  O      -1.695477      6.525283      3.980401
  C      -2.004649      5.953304      6.262116
  C      -4.384851      5.908479      3.368039
  C      -8.514112     -3.291912      2.977445
  C      -7.593235     -2.576003      3.936255
  O      -6.782798     -3.193510      4.619534
  C      -7.674640     -1.081069      4.022215
  C      -8.516173     -0.318088      3.194358
  C      -8.521178      1.071382      3.280719
  C      -7.671495      1.688361      4.190608
  F      -7.700289      3.045734      4.254943
  C      -6.821282      0.972765      5.043318
  C      -5.844756      1.567325      6.016658
  O      -5.463958      0.898642      6.967422
  C      -5.302912      2.980713      5.761111
  C      -6.854488     -0.422453      4.942044
  H      -3.218865     -6.735327      2.671013
  H      -4.760071     -5.814707      2.708226
  H      -3.716089     -5.721469      1.279409
  H      -5.040264     -3.794262      1.315948
  H      -5.847677     -1.452782      1.008652
  H      -0.896743      0.775755      3.428079
  H      -0.823423     -0.653539      4.476299
  H      -2.094495     -2.427067      4.123724
  H      -7.762373      6.090787      1.139732
  H      -8.150379      4.557134      1.932230
  H      -7.479016      4.536857      0.274036
  H      -7.764842      5.959059      3.781275
  H      -7.067774      6.916892      5.976427
  H      -1.424545      6.795137      6.680952
  H      -2.818667      5.705297      6.946700
  H      -3.618067      5.654736      2.638624
  H      -9.567905     -3.060564      3.193914
  H      -8.350664     -4.371444      3.059140
  H      -8.320305     -2.969664      1.942245
  H      -9.173664     -0.803761      2.473182
  H      -9.173387      1.681620      2.655690
  H      -6.068984      3.698626      6.115039
  H      -5.229463      3.135599      4.675971
  H      -6.200733     -1.008980      5.588705
  N      -2.117615      3.276175      3.677197
  N      -2.381162      3.427139      2.406400
  H      -0.543370      4.986578      5.254668
  H      -3.337813      3.647520      2.094896
  H      -1.613285      3.675502      1.783117
91
Coordinates from ORCA-job orca E -6562.707102697841
  N      -1.068952      1.226593      5.478446
  Mo     -2.285588      2.894472      5.413093
  N      -4.012152      3.230857      6.379701
  C      -4.064002      3.336499      7.847164
  C      -3.042070      2.389929      8.464284
  N      -1.726368      2.610809      7.819322
  C      -0.826022      1.434376      7.893242
  C      -1.110776      0.484754      6.746632
  C      -1.066459      3.831917      8.334100
  C      -0.251960      4.485810      7.235706
  N      -1.123204      4.762784      6.063538
  H      -0.346938     -0.314102      6.741030
  H      -2.088676     -0.018645      6.898975
  H       0.207027      1.797511      7.800074
  H      -0.922229      0.929799      8.869801
  H       0.214974      5.415839      7.599359
  H       0.544252      3.813645      6.886255
  H      -1.842844      4.524680      8.685858
  H      -0.426551      3.600905      9.202523
  H      -5.062242      3.072116      8.223623
  H      -3.876547      4.378906      8.171961
  H      -3.356763      1.361841      8.246265
  H      -2.970832      2.517788      9.559794
  C      -3.710421     -5.810213      2.413342
  C      -2.985727     -4.645536      3.039351
  O      -2.020488     -4.809556      3.777477
  C      -3.498048     -3.259629      2.770173
  C      -4.544064     -2.993083      1.873285
  C      -4.998926     -1.690187      1.678295
  C      -4.430919     -0.661564      2.414517
  F      -4.883245      0.591832      2.211750
  C      -3.374563     -0.882164      3.323660
  C      -2.791962      0.205994      4.112009
  O      -3.508429      1.113245      4.586682
  C      -1.296849      0.334545      4.354744
  C      -2.909031     -2.197582      3.461155
  C      -7.466498      4.999163      1.289060
  C      -6.069546      4.927427      1.840329
  O      -5.200591      4.238270      1.302388
  C      -5.741092      5.685921      3.085010
  C      -6.709223      6.093997      4.017434
  C      -6.324869      6.632792      5.244499
  C      -4.970497      6.740415      5.536083
  F      -4.611140      7.229433      6.745600
  C      -3.974169      6.390794      4.613179
  C      -2.510437      6.357774      4.874320
  O      -1.695733      6.525771      3.976001
  C      -2.002696      5.947865      6.257259
  C      -4.392976      5.899552      3.375749
  C      -8.521728     -3.262030      2.924458
  C      -7.585298     -2.554983      3.874693
  O      -6.748375     -3.176082      4.521864
  C      -7.680040     -1.062893      3.991499
  C      -8.542279     -0.292377      3.192436
  C      -8.556734      1.095278      3.303636
  C      -7.696357      1.703286      4.209558
  F      -7.737331      3.058981      4.300553
  C      -6.826478      0.979463      5.035279
  C      -5.841057      1.564425      6.005520
  O      -5.448806      0.885045      6.943982
  C      -5.297630      2.977596      5.754527
  C      -6.850333     -0.413961      4.909631
  H      -3.231530     -6.743953      2.725147
  H      -4.767032     -5.814191      2.723158
  H      -3.694060     -5.738538      1.314995
  H      -5.012193     -3.804450      1.316206
  H      -5.798283     -1.460815      0.973507
  H      -0.887440      0.777860      3.426137
  H      -0.812880     -0.649702      4.475841
  H      -2.102808     -2.430215      4.158025
  H      -7.795769      6.042797      1.180105
  H      -8.165825      4.511937      1.987122
  H      -7.508422      4.484039      0.323857
  H      -7.770748      5.962010      3.808149
  H      -7.059499      6.949950      5.984743
  H      -1.425427      6.789731      6.679639
  H      -2.817215      5.695577      6.939174
  H      -3.631504      5.631970      2.645738
  H      -9.572287     -3.042307      3.166751
  H      -8.348164     -4.341441      2.983804
  H      -8.352019     -2.920840      1.890991
  H      -9.208171     -0.770456      2.473881
  H      -9.224925      1.711179      2.701423
  H      -6.063148      3.694936      6.110680
  H      -5.224800      3.135490      4.669929
  H      -6.180930     -1.006234      5.534687
  N      -2.124248      3.272081      3.667425
  N      -2.381691      3.424348      2.399153
  H      -0.522841      4.981957      5.265616
  H      -3.339467      3.615798      2.071052
  H      -1.610070      3.630635      1.765443
91
Coordinates from ORCA-job orca E -6562.707181749538
  N      -1.077504      1.216443      5.486160
  Mo     -2.287170      2.888278      5.416731
  N      -4.012149      3.235292      6.381036
  C      -4.064927      3.345378      7.848549
  C      -3.044451      2.399118      8.468774
  N      -1.728072      2.614383      7.822555
  C      -0.830671      1.435228      7.901012
  C      -1.117766      0.480244      6.758050
  C      -1.065399      3.834915      8.335060
  C      -0.249698      4.483336      7.235389
  N      -1.122322      4.758237      6.062799
  H      -0.353927     -0.318698      6.754922
  H      -2.095399     -0.022713      6.913859
  H       0.203174      1.795397      7.805587
  H      -0.927588      0.935752      8.880123
  H       0.219922      5.412978      7.596585
  H       0.544425      3.808139      6.887048
  H      -1.840755      4.530187      8.684056
  H      -0.426730      3.604730      9.204622
  H      -5.063536      3.082467      8.225213
  H      -3.876884      4.388665      8.170520
  H      -3.361796      1.370978      8.254486
  H      -2.972389      2.530386      9.563892
  C      -3.704702     -5.808956      2.375479
  C      -2.984654     -4.646872      3.011580
  O      -2.003953     -4.811589      3.728838
  C      -3.506437     -3.261376      2.759403
  C      -4.561045     -2.992290      1.873336
  C      -5.022701     -1.689802      1.691825
  C      -4.451921     -0.664140      2.430177
  F      -4.913168      0.588625      2.243079
  C      -3.386923     -0.887577      3.328595
  C      -2.801513      0.198033      4.118340
  O      -3.516652      1.106744      4.592009
  C      -1.306100      0.322427      4.363684
  C      -2.915952     -2.202240      3.453583
  C      -7.482460      5.013559      1.300049
  C      -6.080510      4.945591      1.838689
  O      -5.211619      4.267986      1.286340
  C      -5.745311      5.697353      3.085787
  C      -6.708931      6.104944      4.023186
  C      -6.318727      6.636031      5.251815
  C      -4.963092      6.737078      5.539651
  F      -4.597606      7.217518      6.750755
  C      -3.971236      6.388307      4.611978
  C      -2.507494      6.347530      4.869425
  O      -1.692688      6.521525      3.972482
  C      -2.000375      5.944594      6.253959
  C      -4.395468      5.904277      3.373413
  C      -8.511848     -3.282437      2.963334
  C      -7.588552     -2.565190      3.918744
  O      -6.782596     -3.182423      4.607495
  C      -7.667982     -1.069901      4.000401
  C      -8.500215     -0.307621      3.162719
  C      -8.500157      1.082138      3.242385
  C      -7.656420      1.700144      4.157015
  F      -7.681408      3.057878      4.214283
  C      -6.818168      0.985229      5.022400
  C      -5.851402      1.579313      6.006416
  O      -5.475076      0.906644      6.956238
  C      -5.298281      2.988778      5.753069
  C      -6.854714     -0.410313      4.925631
  H      -3.215063     -6.742819      2.669724
  H      -4.758609     -5.826197      2.694116
  H      -3.698212     -5.721632      1.278181
  H      -5.030283     -3.801334      1.313820
  H      -5.828938     -1.458405      0.995602
  H      -0.894353      0.763173      3.434832
  H      -0.824667     -0.662879      4.487103
  H      -2.101869     -2.436606      4.140756
  H      -7.817279      6.056341      1.200096
  H      -8.173431      4.519300      2.001434
  H      -7.530469      4.503906      0.332239
  H      -7.771594      5.978535      3.816153
  H      -7.049721      6.952430      5.995993
  H      -1.422909      6.788022      6.672953
  H      -2.815416      5.695074      6.936903
  H      -3.636661      5.637447      2.640085
  H      -9.564605     -3.040526      3.172763
  H      -8.357020     -4.362464      3.054917
  H      -8.310658     -2.971027      1.926145
  H      -9.152763     -0.793959      2.437467
  H      -9.144120      1.692075      2.608538
  H      -6.060665      3.711532      6.104955
  H      -5.220892      3.143617      4.668606
  H      -6.208941     -0.996306      5.580745
  N      -2.125395      3.264917      3.671164
  N      -2.389777      3.414606      2.402302
  H      -0.523609      4.980799      5.253273
  H      -3.350191      3.612771      2.086172
  H      -1.625121      3.656230      1.772460
91
Coordinates from ORCA-job orca E -6562.706914972663
  N      -1.086354      1.225462      5.478227
  Mo     -2.298489      2.894915      5.410469
  N      -4.021543      3.239618      6.379061
  C      -4.071499      3.336626      7.848010
  C      -3.048044      2.388284      8.462074
  N      -1.730283      2.607606      7.818417
  C      -0.831765      1.429392      7.892484
  C      -1.119690      0.480748      6.745467
  C      -1.066958      3.828026      8.332693
  C      -0.255922      4.482734      7.229612
  N      -1.136543      4.768905      6.068070
  H      -0.352338     -0.314655      6.734301
  H      -2.094365     -0.027744      6.901548
  H       0.201830      1.790350      7.797337
  H      -0.928246      0.926295      8.869725
  H       0.220409      5.408272      7.592412
  H       0.533064      3.806952      6.870645
  H      -1.841921      4.521096      8.687000
  H      -0.425259      3.595058      9.198998
  H      -5.068718      3.066806      8.223489
  H      -3.888092      4.378246      8.177468
  H      -3.363713      1.360686      8.241959
  H      -2.977640      2.513104      9.557923
  C      -3.756027     -5.795478      2.398810
  C      -3.014754     -4.635113      3.013332
  O      -2.012744     -4.801123      3.700236
  C      -3.526108     -3.246933      2.753957
  C      -4.581044     -2.975149      1.869067
  C      -5.035670     -1.670907      1.683582
  C      -4.457359     -0.645663      2.416472
  F      -4.910913      0.608735      2.225245
  C      -3.390777     -0.871644      3.312229
  C      -2.801896      0.212102      4.101318
  O      -3.515728      1.123980      4.572535
  C      -1.307766      0.335039      4.350375
  C      -2.926931     -2.188390      3.441615
  C      -7.417828      5.042716      1.227830
  C      -6.021601      4.981991      1.782289
  O      -5.139972      4.317195      1.235068
  C      -5.717564      5.697760      3.059178
  C      -6.699152      6.057532      3.997602
  C      -6.333252      6.563261      5.244306
  C      -4.982961      6.688085      5.548794
  F      -4.639639      7.141915      6.776428
  C      -3.974756      6.386897      4.622418
  C      -2.512278      6.379214      4.889347
  O      -1.697994      6.552606      3.991647
  C      -2.002711      5.960152      6.268474
  C      -4.375915      5.924317      3.368051
  C      -8.492097     -3.309463      2.985890
  C      -7.571112     -2.588118      3.940521
  O      -6.756604     -3.201363      4.622906
  C      -7.663318     -1.093752      4.029406
  C      -8.516429     -0.335776      3.208677
  C      -8.533408      1.053444      3.299275
  C      -7.682583      1.675373      4.204722
  F      -7.724272      3.032515      4.274396
  C      -6.819561      0.965002      5.048938
  C      -5.838547      1.564895      6.014246
  O      -5.455323      0.902960      6.968687
  C      -5.307661      2.981981      5.756652
  C      -6.842492     -0.430336      4.945162
  H      -3.271855     -6.731804      2.694266
  H      -4.805486     -5.797425      2.730953
  H      -3.762543     -5.718286      1.300441
  H      -5.057533     -3.783984      1.315355
  H      -5.842436     -1.437391      0.988654
  H      -0.892777      0.781312      3.425491
  H      -0.825756     -0.649821      4.472265
  H      -2.112802     -2.424497      4.128062
  H      -7.758415      6.084381      1.134322
  H      -8.114423      4.537126      1.914930
  H      -7.449209      4.544030      0.253657
  H      -7.756652      5.914515      3.774999
  H      -7.078401      6.842922      5.989137
  H      -1.415087      6.796533      6.687646
  H      -2.815555      5.714869      6.955892
  H      -3.603365      5.698900      2.635707
  H      -9.546339     -3.091715      3.214686
  H      -8.315924     -4.387477      3.060708
  H      -8.313211     -2.979477      1.950610
  H      -9.175524     -0.825397      2.491701
  H      -9.196163      1.659407      2.681227
  H      -6.076951      3.695844      6.111644
  H      -5.236991      3.136689      4.671131
  H      -6.179786     -1.013046      5.586104
  N      -2.096357      3.295254      3.679677
  N      -2.351807      3.464410      2.407350
  H      -0.553212      5.004426      5.243231
  H      -3.304211      3.705670      2.098330
  H      -1.575299      3.722049      1.798862
91
Coordinates from ORCA-job orca E -6562.707177736406
  N      -1.092114      1.218216      5.483306
  Mo     -2.295771      2.894441      5.424701
  N      -4.018547      3.240969      6.391063
  C      -4.069065      3.341823      7.859235
  C      -3.047307      2.390804      8.471705
  N      -1.731874      2.607606      7.822647
  C      -0.834356      1.427971      7.896143
  C      -1.126038      0.476841      6.752351
  C      -1.067153      3.827212      8.337624
  C      -0.255210      4.480946      7.236363
  N      -1.131063      4.761445      6.067551
  H      -0.361169     -0.321097      6.743514
  H      -2.102254     -0.027994      6.910710
  H       0.199244      1.788019      7.797531
  H      -0.928155      0.926792      8.874653
  H       0.216563      5.409094      7.598380
  H       0.537325      3.806584      6.882722
  H      -1.841137      4.521008      8.692603
  H      -0.425625      3.592909      9.203732
  H      -5.066926      3.076298      8.235725
  H      -3.881116      4.383064      8.187676
  H      -3.366174      1.364025      8.252987
  H      -2.971962      2.516122      9.567156
  C      -3.719704     -5.799435      2.357322
  C      -2.990889     -4.636647      2.982320
  O      -2.007110     -4.801636      3.695353
  C      -3.519431     -3.251614      2.741306
  C      -4.580342     -2.980932      1.863280
  C      -5.048167     -1.679155      1.692921
  C      -4.475814     -0.655800      2.433305
  F      -4.943326      0.596225      2.258087
  C      -3.403817     -0.880666      3.322550
  C      -2.818396      0.202723      4.116864
  O      -3.534079      1.107516      4.595170
  C      -1.322783      0.328198      4.358061
  C      -2.928696     -2.194406      3.438497
  C      -7.445185      5.043233      1.248965
  C      -6.052489      4.958003      1.809123
  O      -5.184024      4.268299      1.271571
  C      -5.729653      5.700453      3.065901
  C      -6.702040      6.103028      3.996439
  C      -6.323572      6.629188      5.230793
  C      -4.970616      6.732335      5.530966
  F      -4.616880      7.209731      6.746782
  C      -3.969918      6.390298      4.610282
  C      -2.507162      6.360472      4.875349
  O      -1.690811      6.514608      3.975879
  C      -2.001361      5.952759      6.259275
  C      -4.382871      5.907611      3.366977
  C      -8.480130     -3.305568      2.991747
  C      -7.567308     -2.582122      3.952566
  O      -6.754086     -3.193005      4.638499
  C      -7.652392     -1.086905      4.029040
  C      -8.487270     -0.330350      3.188602
  C      -8.496104      1.059619      3.267273
  C      -7.656956      1.683270      4.182373
  F      -7.688264      3.041160      4.238789
  C      -6.813740      0.974289      5.047167
  C      -5.847705      1.576134      6.026238
  O      -5.472259      0.912725      6.982738
  C      -5.304235      2.987954      5.765676
  C      -6.842415     -0.421487      4.952924
  H      -3.227419     -6.733134      2.647638
  H      -4.769706     -5.815046      2.688090
  H      -3.725838     -5.714312      1.259832
  H      -5.050747     -3.788457      1.302557
  H      -5.860407     -1.446460      1.004105
  H      -0.913912      0.771731      3.429195
  H      -0.840658     -0.657198      4.477486
  H      -2.109459     -2.429701      4.119170
  H      -7.766476      6.090045      1.146229
  H      -8.152601      4.555570      1.938221
  H      -7.483732      4.536446      0.279229
  H      -7.762684      5.977001      3.778761
  H      -7.061524      6.941749      5.969684
  H      -1.416744      6.792946      6.674976
  H      -2.815186      5.709564      6.945637
  H      -3.616890      5.647561      2.638951
  H      -9.535706     -3.069294      3.192988
  H      -8.319890     -4.384582      3.085732
  H      -8.272822     -2.994511      1.955590
  H      -9.136548     -0.821553      2.463735
  H      -9.143193      1.665021      2.632300
  H      -6.069916      3.708322      6.115415
  H      -5.228675      3.137892      4.679971
  H      -6.193769     -1.002913      5.609235
  N      -2.130760      3.276998      3.681272
  N      -2.389569      3.430416      2.410309
  H      -0.541587      4.978930      5.260935
  H      -3.344903      3.648884      2.093581
  H      -1.619694      3.670145      1.786240
91
Coordinates from ORCA-job orca E -6562.706922098278
  N      -1.066859      1.220613      5.484027
  Mo     -2.284390      2.886702      5.403944
  N      -4.010074      3.228867      6.370999
  C      -4.060839      3.346363      7.837925
  C      -3.040246      2.404747      8.463453
  N      -1.723439      2.619222      7.820002
  C      -0.827106      1.440589      7.899375
  C      -1.112228      0.485744      6.755881
  C      -1.060943      3.840228      8.327744
  C      -0.245748      4.484181      7.225613
  N      -1.120613      4.756740      6.055027
  H      -0.349936     -0.314591      6.754702
  H      -2.091256     -0.015196      6.909309
  H       0.207173      1.800250      7.806620
  H      -0.926141      0.939931      8.877722
  H       0.224537      5.414559      7.584109
  H       0.547519      3.807600      6.878103
  H      -1.835913      4.537184      8.674291
  H      -0.421554      3.613800      9.197941
  H      -5.059067      3.085636      8.217062
  H      -3.872293      4.391436      8.153544
  H      -3.355578      1.375337      8.252854
  H      -2.971565      2.540900      9.558295
  C      -3.711715     -5.816021      2.421987
  C      -2.987257     -4.652300      3.049911
  O      -2.017054     -4.816536      3.781341
  C      -3.496459     -3.265876      2.777739
  C      -4.539183     -2.998928      1.877095
  C      -4.990764     -1.695443      1.678079
  C      -4.423780     -0.666539      2.414767
  F      -4.874505      0.587110      2.209354
  C      -3.370771     -0.887772      3.328101
  C      -2.786350      0.200744      4.113035
  O      -3.500900      1.114447      4.580013
  C      -1.291808      0.324244      4.363198
  C      -2.907399     -2.203861      3.468455
  C      -7.488209      4.987799      1.322219
  C      -6.084802      4.932644      1.858397
  O      -5.208338      4.270521      1.298736
  C      -5.752040      5.690246      3.101558
  C      -6.715180      6.089328      4.042956
  C      -6.324137      6.624185      5.269733
  C      -4.968165      6.733997      5.552587
  F      -4.602011      7.218310      6.761848
  C      -3.977323      6.391151      4.621177
  C      -2.512391      6.352303      4.874634
  O      -1.700242      6.548109      3.979941
  C      -2.000550      5.941045      6.255107
  C      -4.402870      5.908802      3.383137
  C      -8.539342     -3.262940      2.923227
  C      -7.598199     -2.554652      3.867805
  O      -6.778034     -3.177929      4.533935
  C      -7.685426     -1.061379      3.975221
  C      -8.536602     -0.290896      3.164598
  C      -8.538674      1.097643      3.262282
  C      -7.679378      1.706492      4.168475
  F      -7.709982      3.063159      4.245274
  C      -6.824114      0.982831      5.010005
  C      -5.845221      1.566475      5.988617
  O      -5.454113      0.881581      6.923736
  C      -5.296873      2.979465      5.745274
  C      -6.858483     -0.411478      4.895182
  H      -3.234782     -6.750431      2.734776
  H      -4.769227     -5.818384      2.729135
  H      -3.692381     -5.744450      1.323676
  H      -5.006104     -3.810255      1.318910
  H      -5.786650     -1.465819      0.969507
  H      -0.876603      0.763837      3.435348
  H      -0.810916     -0.660814      4.489818
  H      -2.102838     -2.436781      4.167205
  H      -7.833094      6.027425      1.223379
  H      -8.173114      4.486485      2.024660
  H      -7.533065      4.478320      0.354178
  H      -7.777538      5.953134      3.840977
  H      -7.054727      6.935249      6.016561
  H      -1.422591      6.781560      6.678969
  H      -2.814366      5.686205      6.937170
  H      -3.645326      5.648139      2.646371
  H      -9.588279     -3.036588      3.166995
  H      -8.371313     -4.342874      2.989206
  H      -8.370964     -2.928754      1.887411
  H      -9.201071     -0.769451      2.444983
  H      -9.196537      1.713841      2.649067
  H      -6.060571      3.697060      6.104513
  H      -5.223767      3.142864      4.662060
  H      -6.198605     -1.003943      5.530149
  N      -2.110647      3.265117      3.661348
  N      -2.367795      3.428135      2.394332
  H      -0.510157      4.984384      5.246905
  H      -3.327335      3.619733      2.070682
  H      -1.597337      3.661390      1.768546
