90
Coordinates from ORCA-job orca E -6508.050918723065
  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
  H      -0.604570      2.020764      3.283850
  H      -0.791258      3.619942      3.522284
  H      -1.717586      2.846364      2.430237
90
Coordinates from ORCA-job orca E -6508.069264223403
  N      -1.556493      0.881793      5.467282
  Mo     -2.713646      2.389560      4.894036
  N      -4.310211      2.054031      5.960931
  C      -4.270684      2.333394      7.389694
  C      -2.833883      2.170549      7.882207
  N      -1.903451      2.877534      6.969952
  C      -0.532634      2.339811      7.078700
  C      -0.483605      0.955314      6.427686
  C      -1.879871      4.338288      7.238341
  C      -1.852425      5.015413      5.861276
  N      -2.901649      4.357707      5.111553
  H       0.501428      0.802405      5.945774
  H      -0.594209      0.154630      7.184687
  H       0.133488      3.023360      6.538163
  H      -0.217035      2.298826      8.133636
  H      -2.002978      6.103521      5.941971
  H      -0.873775      4.851511      5.381564
  H      -2.805916      4.627432      7.749217
  H      -1.024210      4.612551      7.871992
  H      -4.903518      1.630019      7.955323
  H      -4.651833      3.354061      7.596827
  H      -2.597930      1.101638      7.849391
  H      -2.718311      2.536477      8.915310
  C      -3.977942     -6.436186      3.245813
  C      -3.033372     -5.269742      3.377174
  O      -1.901364     -5.392236      3.830716
  C      -3.567578     -3.934205      2.977986
  C      -4.691395     -3.786473      2.148913
  C      -5.158052     -2.513551      1.843876
  C      -4.532770     -1.406701      2.384062
  F      -5.058676     -0.190937      2.079673
  C      -3.400180     -1.501128      3.234619
  C      -2.821622     -0.342296      3.875734
  O      -3.220785      0.835624      3.610985
  C      -1.691166     -0.427604      4.865329
  C      -2.933957     -2.804109      3.487872
  C      -5.432785     12.078362      2.424843
  C      -4.744096     10.734669      2.354013
  O      -3.851524     10.518785      1.541600
  C      -5.190045      9.680794      3.312150
  C      -6.176725      9.902972      4.293907
  C      -6.549998      8.867787      5.144208
  C      -5.936822      7.631451      5.037749
  F      -6.378566      6.643862      5.863054
  C      -4.928406      7.362809      4.086376
  C      -4.218305      6.084209      3.922368
  O      -3.659183      5.801105      2.854875
  C      -4.142174      5.100779      5.100745
  C      -4.599798      8.421749      3.223919
  C      -8.137802     -5.717137      4.610543
  C      -7.081846     -4.739768      5.074527
  O      -6.018271     -5.138937      5.545562
  C      -7.380640     -3.287547      4.927364
  C      -8.593071     -2.806067      4.389436
  C      -8.792227     -1.436957      4.259679
  C      -7.804531     -0.548106      4.655208
  F      -8.068452      0.775665      4.480195
  C      -6.575836     -0.974150      5.202296
  C      -5.443808     -0.124101      5.626481
  O      -4.400161     -0.652193      6.025626
  C      -5.540874      1.412547      5.549753
  C      -6.413905     -2.365970      5.322712
  H      -3.512315     -7.335715      3.657325
  H      -4.900582     -6.199513      3.798390
  H      -4.233842     -6.608821      2.193888
  H      -5.197262     -4.652970      1.734602
  H      -6.023616     -2.368181      1.201664
  H      -0.759235     -0.728096      4.338941
  H      -1.900700     -1.193003      5.632947
  H      -2.070956     -2.955673      4.131388
  H      -5.273637     12.532264      3.410342
  H      -6.511563     11.961631      2.268508
  H      -5.021844     12.735422      1.653893
  H      -6.659596     10.870030      4.394892
  H      -7.325595      9.006718      5.894102
  H      -4.276849      5.651889      6.044727
  H      -4.990819      4.402042      5.003214
  H      -3.838689      8.247412      2.466220
  H      -9.068669     -5.562360      5.168829
  H      -7.784561     -6.738574      4.774897
  H      -8.348822     -5.570297      3.544693
  H      -9.375776     -3.486809      4.069096
  H      -9.715165     -1.039136      3.843408
  H      -6.400003      1.727248      6.165858
  H      -5.770627      1.687892      4.508377
  H      -5.475422     -2.733165      5.732155
  N      -1.197586      2.829889      3.392804
  H      -0.496824      2.088659      3.313358
  H      -0.676489      3.692545      3.581774
  H      -1.594298      2.946621      2.454396
90
Coordinates from ORCA-job orca E -6508.077640235269
  N      -1.458883      0.864283      5.482596
  Mo     -2.643694      2.381294      4.964662
  N      -4.226890      2.036055      6.084529
  C      -4.137745      2.308113      7.524278
  C      -2.686499      2.146331      7.964653
  N      -1.777629      2.862623      7.012987
  C      -0.394728      2.320786      7.073532
  C      -0.358407      0.938230      6.417518
  C      -1.749466      4.339855      7.268195
  C      -1.752328      5.016121      5.891243
  N      -2.823964      4.359571      5.161799
  H       0.619871      0.794247      5.913269
  H      -0.441815      0.131398      7.176679
  H       0.251011      3.014269      6.514569
  H      -0.045357      2.283610      8.121664
  H      -1.898480      6.108970      5.972899
  H      -0.776617      4.852884      5.395028
  H      -2.665087      4.625841      7.805928
  H      -0.875665      4.612073      7.886531
  H      -4.752694      1.603225      8.112330
  H      -4.509430      3.330817      7.754505
  H      -2.441015      1.077038      7.921622
  H      -2.530159      2.512525      8.996668
  C      -3.781845     -6.501788      3.380694
  C      -2.896345     -5.275666      3.454440
  O      -1.726004     -5.346559      3.836431
  C      -3.508560     -3.957757      3.081860
  C      -4.691994     -3.856936      2.320911
  C      -5.215119     -2.595453      2.020169
  C      -4.588841     -1.455264      2.500668
  F      -5.173533     -0.267198      2.198999
  C      -3.400706     -1.499706      3.293036
  C      -2.794635     -0.343200      3.904157
  O      -3.202779      0.865945      3.678291
  C      -1.631823     -0.439847      4.856404
  C      -2.884239     -2.794308      3.538310
  C      -5.656862     11.967542      2.308576
  C      -4.914595     10.645163      2.273577
  O      -4.007805     10.450269      1.462102
  C      -5.318438      9.587013      3.255996
  C      -6.319737      9.793522      4.233800
  C      -6.655981      8.761730      5.113840
  C      -5.987890      7.546675      5.032307
  F      -6.387157      6.558524      5.880249
  C      -4.966335      7.292300      4.086770
  C      -4.196855      6.029140      3.953261
  O      -3.625562      5.746869      2.895515
  C      -4.082618      5.070720      5.156394
  C      -4.676158      8.345554      3.197454
  C      -8.419460     -5.517424      4.217483
  C      -7.320839     -4.627545      4.768234
  O      -6.273581     -5.119735      5.201212
  C      -7.547405     -3.149910      4.754285
  C      -8.739906     -2.566370      4.259690
  C      -8.876497     -1.177160      4.246475
  C      -7.840281     -0.377294      4.715194
  F      -8.028126      0.969765      4.659329
  C      -6.631065     -0.904134      5.224263
  C      -5.454735     -0.128805      5.702731
  O      -4.432569     -0.730137      6.066562
  C      -5.479318      1.415590      5.679791
  C      -6.534693     -2.311169      5.228627
  H      -3.233798     -7.374787      3.759618
  H      -4.685856     -6.328655      3.992532
  H      -4.099184     -6.694686      2.340727
  H      -5.197912     -4.751272      1.948177
  H      -6.126198     -2.484204      1.424407
  H      -0.714841     -0.739649      4.298370
  H      -1.817565     -1.220446      5.619363
  H      -1.974095     -2.911574      4.134316
  H      -5.524745     12.457884      3.289075
  H      -6.738459     11.810672      2.154176
  H      -5.265512     12.622878      1.519399
  H      -6.843915     10.750050      4.310123
  H      -7.442999      8.885746      5.864339
  H      -4.236566      5.628710      6.097934
  H      -4.913276      4.342720      5.070671
  H      -3.903506      8.182234      2.440568
  H      -9.355305     -5.374252      4.785625
  H      -8.107424     -6.567556      4.291003
  H      -8.627492     -5.268078      3.162099
  H      -9.557529     -3.185589      3.880753
  H      -9.782992     -0.696451      3.865463
  H      -6.325821      1.739296      6.314129
  H      -5.719672      1.737113      4.650801
  H      -5.608502     -2.756184      5.601701
  N      -1.122961      2.851789      3.376649
  H      -0.428883      2.103670      3.270769
  H      -0.588026      3.715498      3.543562
  H      -1.553809      2.976848      2.450023
90
Coordinates from ORCA-job orca E -6508.083206823306
  N      -1.474255      0.847766      5.499344
  Mo     -2.643860      2.390179      5.015673
  N      -4.237955      2.037066      6.132161
  C      -4.151223      2.305268      7.572671
  C      -2.705579      2.125965      8.014268
  N      -1.784279      2.834668      7.065084
  C      -0.409803      2.267661      7.121105
  C      -0.389050      0.892073      6.450307
  C      -1.738148      4.313472      7.325183
  C      -1.716566      5.002169      5.957392
  N      -2.786536      4.375850      5.202607
  H       0.595570      0.739726      5.962720
  H      -0.493624      0.078159      7.197956
  H       0.245003      2.962436      6.576041
  H      -0.065385      2.217096      8.169469
  H      -1.845512      6.095857      6.048412
  H      -0.736615      4.832037      5.475074
  H      -2.654307      4.601030      7.859604
  H      -0.868736      4.562191      7.958819
  H      -4.773198      1.604301      8.156392
  H      -4.515048      3.328519      7.807064
  H      -2.463171      1.056755      7.965324
  H      -2.539836      2.486187      9.045845
  C      -3.982290     -6.407294      3.233238
  C      -3.071951     -5.204132      3.359383
  O      -1.923880     -5.314988      3.793803
  C      -3.622680     -3.863181      2.980780
  C      -4.776650     -3.714046      2.182638
  C      -5.241949     -2.430713      1.876923
  C      -4.594523     -1.318628      2.392901
  F      -5.115855     -0.104805      2.081506
  C      -3.441320     -1.409952      3.227624
  C      -2.819751     -0.292643      3.873081
  O      -3.216539      0.936626      3.689944
  C      -1.675680     -0.434818      4.840227
  C      -2.975982     -2.726896      3.470464
  C      -5.690691     11.931941      2.237071
  C      -4.913892     10.630592      2.233595
  O      -3.975719     10.460239      1.454138
  C      -5.319312      9.562678      3.201641
  C      -6.358007      9.744665      4.143453
  C      -6.695527      8.708826      5.017884
  C      -5.990177      7.514084      4.960245
  F      -6.383012      6.515512      5.799021
  C      -4.935029      7.284056      4.049797
  C      -4.125730      6.039312      3.951002
  O      -3.511597      5.768551      2.917787
  C      -4.037803      5.090579      5.165103
  C      -4.641925      8.339906      3.167542
  C      -8.270383     -5.595126      4.360045
  C      -7.214351     -4.671317      4.934486
  O      -6.188625     -5.133713      5.441088
  C      -7.451868     -3.200047      4.862591
  C      -8.626578     -2.647363      4.298080
  C      -8.780405     -1.261663      4.237542
  C      -7.771600     -0.439772      4.725421
  F      -7.970368      0.903506      4.635219
  C      -6.578165     -0.936589      5.294619
  C      -5.427955     -0.130034      5.789717
  O      -4.424927     -0.700833      6.237539
  C      -5.469181      1.404438      5.707495
  C      -6.467030     -2.338595      5.350368
  H      -3.469044     -7.295318      3.622101
  H      -4.909389     -6.227701      3.802051
  H      -4.260335     -6.581013      2.180112
  H      -5.301614     -4.585060      1.787224
  H      -6.125413     -2.278804      1.252647
  H      -0.755119     -0.742542      4.294509
  H      -1.886315     -1.229760      5.580955
  H      -2.093644     -2.883192      4.094794
  H      -5.611210     12.429647      3.218355
  H      -6.761764     11.750026      2.048273
  H      -5.288415     12.593327      1.460437
  H      -6.908600     10.685705      4.196755
  H      -7.508384      8.811975      5.740429
  H      -4.225169      5.647903      6.100935
  H      -4.864440      4.361791      5.056238
  H      -3.842316      8.195209      2.437208
  H      -9.238250     -5.446048      4.867637
  H      -7.948431     -6.635496      4.488446
  H      -8.428864     -5.387893      3.288281
  H      -9.418975     -3.288061      3.906834
  H      -9.674550     -0.803264      3.808785
  H      -6.335790      1.748715      6.303891
  H      -5.684544      1.688221      4.663508
  H      -5.552103     -2.759539      5.772470
  N      -1.077822      2.887873      3.412298
  H      -0.398429      2.130241      3.295007
  H      -0.532653      3.740497      3.585616
  H      -1.510805      3.032603      2.492830
90
Coordinates from ORCA-job orca E -6508.086968238494
  N      -1.460969      0.829165      5.518964
  Mo     -2.634680      2.378265      5.076983
  N      -4.215286      2.031850      6.219415
  C      -4.105319      2.300795      7.653244
  C      -2.656515      2.113264      8.072723
  N      -1.749298      2.812902      7.106461
  C      -0.379781      2.235620      7.138332
  C      -0.375876      0.861447      6.465083
  C      -1.692841      4.291482      7.360445
  C      -1.673049      4.979519      5.994692
  N      -2.744772      4.370464      5.233865
  H       0.606947      0.703045      5.977107
  H      -0.482395      0.047329      7.211060
  H       0.269059      2.930519      6.588244
  H      -0.019808      2.182363      8.180425
  H      -1.791838      6.073135      6.089221
  H      -0.695849      4.805738      5.511251
  H      -2.603732      4.579000      7.902151
  H      -0.821055      4.530752      7.992752
  H      -4.724609      1.606436      8.246366
  H      -4.458329      3.325709      7.890662
  H      -2.414254      1.044850      8.021630
  H      -2.466175      2.475983      9.097705
  C      -4.047093     -6.362312      3.158822
  C      -3.141769     -5.162218      3.311393
  O      -1.988861     -5.286514      3.722687
  C      -3.692181     -3.814334      2.974214
  C      -4.863101     -3.644122      2.207769
  C      -5.314018     -2.352728      1.923747
  C      -4.639361     -1.255971      2.432549
  F      -5.138498     -0.028253      2.139413
  C      -3.476365     -1.367477      3.245821
  C      -2.832404     -0.270601      3.890485
  O      -3.236277      0.964596      3.746411
  C      -1.683258     -0.437287      4.845232
  C      -3.023845     -2.694000      3.463866
  C      -5.777481     11.839911      2.152801
  C      -4.963842     10.564323      2.178701
  O      -4.004465     10.417263      1.424032
  C      -5.357417      9.493211      3.143431
  C      -6.421246      9.651612      4.057595
  C      -6.747978      8.616707      4.934090
  C      -6.005637      7.445426      4.903264
  F      -6.385976      6.442224      5.742213
  C      -4.925974      7.239553      4.019554
  C      -4.075587      6.020188      3.952700
  O      -3.431892      5.759692      2.936519
  C      -3.989496      5.088355      5.179008
  C      -4.643284      8.293209      3.135058
  C      -8.195120     -5.537550      4.240059
  C      -7.178676     -4.624718      4.891936
  O      -6.174934     -5.093169      5.430636
  C      -7.422148     -3.155864      4.853469
  C      -8.576140     -2.596289      4.261426
  C      -8.740507     -1.213099      4.232880
  C      -7.755727     -0.400087      4.776610
  F      -7.967213      0.942835      4.720934
  C      -6.579265     -0.905541      5.371393
  C      -5.440341     -0.109373      5.911099
  O      -4.468014     -0.687740      6.402260
  C      -5.449491      1.418235      5.797762
  C      -6.461399     -2.304617      5.399102
  H      -3.520389     -7.257509      3.506024
  H      -4.966346     -6.214111      3.745685
  H      -4.341891     -6.500126      2.106939
  H      -5.406865     -4.502809      1.816672
  H      -6.205556     -2.180845      1.320051
  H      -0.767196     -0.747942      4.295012
  H      -1.895093     -1.240973      5.575231
  H      -2.131921     -2.869584      4.064541
  H      -5.739557     12.346901      3.129391
  H      -6.836689     11.627158      1.942606
  H      -5.376207     12.505285      1.381458
  H      -6.999275     10.574238      4.087486
  H      -7.578846      8.700784      5.634671
  H      -4.191990      5.651937      6.106495
  H      -4.815043      4.358735      5.067956
  H      -3.825266      8.166595      2.424785
  H      -9.187100     -5.412834      4.700678
  H      -7.868836     -6.576690      4.352285
  H      -8.306093     -5.299255      3.170940
  H      -9.346195     -3.231243      3.825423
  H      -9.621252     -0.750307      3.787495
  H      -6.313680      1.796888      6.376113
  H      -5.654012      1.684840      4.748508
  H      -5.558843     -2.730442      5.838537
  N      -1.061191      2.885771      3.430538
  H      -0.397554      2.118426      3.297353
  H      -0.505711      3.730990      3.593470
  H      -1.518098      3.037855      2.526076
90
Coordinates from ORCA-job orca E -6508.089582375739
  N      -1.457148      0.809958      5.543363
  Mo     -2.628049      2.367657      5.143782
  N      -4.191106      2.036495      6.313590
  C      -4.057706      2.304411      7.741470
  C      -2.604479      2.107944      8.137818
  N      -1.711672      2.794954      7.151161
  C      -0.348746      2.202602      7.156839
  C      -0.370692      0.827236      6.485709
  C      -1.639722      4.273778      7.397349
  C      -1.622355      4.959029      6.031533
  N      -2.698294      4.366444      5.265950
  H       0.609587      0.653534      5.997150
  H      -0.485104      0.016550      7.234605
  H       0.297560      2.891467      6.596366
  H       0.030638      2.146247      8.192078
  H      -1.729323      6.053682      6.129418
  H      -0.647890      4.779445      5.544076
  H      -2.544823      4.567151      7.945655
  H      -0.763459      4.505433      8.026499
  H      -4.674571      1.616494      8.344792
  H      -4.399072      3.332554      7.982594
  H      -2.367591      1.038265      8.087368
  H      -2.389759      2.474466      9.156427
  C      -4.099907     -6.325805      3.071330
  C      -3.203873     -5.125719      3.260215
  O      -2.052068     -5.257212      3.670893
  C      -3.760090     -3.772166      2.962605
  C      -4.938720     -3.585851      2.212358
  C      -5.384280     -2.287873      1.953600
  C      -4.697832     -1.203237      2.469554
  F      -5.185162      0.033886      2.192435
  C      -3.529416     -1.330278      3.273179
  C      -2.864492     -0.249537      3.921055
  O      -3.268329      0.991765      3.816430
  C      -1.707833     -0.443804      4.861191
  C      -3.083265     -2.664287      3.465220
  C      -5.876977     11.747126      2.058258
  C      -5.021493     10.501190      2.114854
  O      -4.041360     10.380826      1.383552
  C      -5.399012      9.426117      3.080647
  C      -6.487432      9.556395      3.968207
  C      -6.798459      8.521504      4.849085
  C      -6.015697      7.376989      4.847924
  F      -6.378474      6.371130      5.691644
  C      -4.911341      7.199451      3.990336
  C      -4.016353      6.010767      3.957563
  O      -3.342041      5.761962      2.958570
  C      -3.934470      5.093541      5.193519
  C      -4.643703      8.252093      3.100946
  C      -8.128161     -5.468540      4.109253
  C      -7.142563     -4.579147      4.834685
  O      -6.163456     -5.065500      5.401077
  C      -7.387004     -3.110258      4.838481
  C      -8.523117     -2.533219      4.233049
  C      -8.693884     -1.151878      4.246578
  C      -7.726946     -0.355209      4.843107
  F      -7.946521      0.987444      4.834654
  C      -6.564693     -0.878103      5.446752
  C      -5.434716     -0.092631      6.027190
  O      -4.491282     -0.675931      6.559812
  C      -5.426617      1.431560      5.896452
  C      -6.442682     -2.275468      5.436748
  H      -3.562663     -7.226581      3.385686
  H      -5.018435     -6.208320      3.665725
  H      -4.398172     -6.430298      2.016948
  H      -5.489879     -4.435617      1.813132
  H      -6.279973     -2.100422      1.360889
  H      -0.799972     -0.767444      4.304739
  H      -1.926693     -1.252924      5.584515
  H      -2.184071     -2.855280      4.049803
  H      -5.880353     12.263635      3.030049
  H      -6.923381     11.497410      1.827596
  H      -5.480767     12.418546      1.289863
  H      -7.096979     10.458645      3.973865
  H      -7.647350      8.584049      5.529615
  H      -4.147344      5.666153      6.113228
  H      -4.765367      4.368261      5.082159
  H      -3.806662      8.146566      2.410134
  H      -9.139840     -5.360333      4.528428
  H      -7.805045     -6.510526      4.200032
  H      -8.194324     -5.194041      3.045440
  H      -9.277843     -3.156045      3.755127
  H      -9.565318     -0.677510      3.795848
  H      -6.292278      1.831419      6.459943
  H      -5.624584      1.682873      4.842181
  H      -5.550243     -2.712949      5.884591
  N      -1.051656      2.872829      3.452381
  H      -0.406662      2.092841      3.303754
  H      -0.482789      3.710470      3.603282
  H      -1.537263      3.031545      2.564591
90
Coordinates from ORCA-job orca E -6508.091542986002
  N      -1.455875      0.794307      5.561669
  Mo     -2.626250      2.356013      5.203066
  N      -4.168030      2.042323      6.400060
  C      -4.012283      2.308684      7.823698
  C      -2.553910      2.104498      8.196633
  N      -1.677569      2.780748      7.189467
  C      -0.320163      2.176272      7.168447
  C      -0.367598      0.798546      6.502170
  C      -1.593400      4.259712      7.427775
  C      -1.580533      4.941929      6.060569
  N      -2.660102      4.360078      5.291625
  H       0.609365      0.607280      6.013240
  H      -0.491691     -0.006575      7.255880
  H       0.322399      2.857305      6.594169
  H       0.080717      2.117341      8.195676
  H      -1.679360      6.037204      6.161598
  H      -0.608792      4.758914      5.567796
  H      -2.493838      4.559909      7.980386
  H      -0.712998      4.489071      8.052321
  H      -4.625624      1.626503      8.436982
  H      -4.342096      3.339986      8.069062
  H      -2.325016      1.032803      8.147856
  H      -2.317945      2.474771      9.209167
  C      -4.136493     -6.298227      2.986514
  C      -3.247227     -5.099881      3.212779
  O      -2.095856     -5.238022      3.622679
  C      -3.808293     -3.741786      2.944902
  C      -4.990145     -3.542965      2.203094
  C      -5.436548     -2.240018      1.970965
  C      -4.746847     -1.165513      2.501682
  F      -5.234860      0.077886      2.249659
  C      -3.573421     -1.305358      3.296822
  C      -2.894993     -0.235562      3.949984
  O      -3.303582      1.006974      3.883765
  C      -1.728860     -0.451325      4.875074
  C      -3.128312     -2.643429      3.463505
  C      -5.958798     11.667425      1.978067
  C      -5.065284     10.450147      2.063298
  O      -4.063716     10.357180      1.357760
  C      -5.432709      9.368503      3.026390
  C      -6.547107      9.467722      3.884502
  C      -6.846211      8.429277      4.764786
  C      -6.026570      7.311089      4.792715
  F      -6.376994      6.301731      5.637177
  C      -4.896201      7.164384      3.963763
  C      -3.960582      6.007113      3.962731
  O      -3.249432      5.777781      2.984173
  C      -3.887231      5.098616      5.203396
  C      -4.639749      8.220039      3.074287
  C      -8.068320     -5.398166      3.994393
  C      -7.112715     -4.533464      4.786858
  O      -6.153042     -5.037062      5.371573
  C      -7.361684     -3.065542      4.830662
  C      -8.483319     -2.472292      4.216008
  C      -8.661008     -1.093617      4.266517
  C      -7.711430     -0.311012      4.908996
  F      -7.939653      1.029511      4.938819
  C      -6.562167     -0.849561      5.520603
  C      -5.443024     -0.074988      6.142781
  O      -4.526669     -0.666500      6.708612
  C      -5.411856      1.447581      5.994163
  C      -6.433531     -2.244989      5.474603
  H      -3.592995     -7.205550      3.270098
  H      -5.052807     -6.205130      3.588730
  H      -4.437843     -6.369721      1.930278
  H      -5.543345     -4.385543      1.791686
  H      -6.335807     -2.040788      1.387320
  H      -0.830289     -0.787290      4.311219
  H      -1.953512     -1.263388      5.594572
  H      -2.224393     -2.845952      4.037162
  H      -6.003361     12.187822      2.946765
  H      -6.990400     11.382536      1.722701
  H      -5.565178     12.347746      1.216092
  H      -7.186167     10.349365      3.867863
  H      -7.713979      8.468503      5.423111
  H      -4.106525      5.679504      6.117160
  H      -4.726393      4.381719      5.091015
  H      -3.782347      8.137771      2.405596
  H      -9.095431     -5.307452      4.378918
  H      -7.745905     -6.442347      4.060172
  H      -8.095645     -5.086434      2.939120
  H      -9.223260     -3.082990      3.700347
  H      -9.524657     -0.609601      3.810841
  H      -6.273545      1.868052      6.548946
  H      -5.608079      1.683710      4.936079
  H      -5.549755     -2.692772      5.929666
  N      -1.057387      2.853948      3.470833
  H      -0.429092      2.064090      3.306043
  H      -0.477722      3.685384      3.609945
  H      -1.572556      3.018345      2.601494
90
Coordinates from ORCA-job orca E -6508.093085771760
  N      -1.466593      0.782830      5.576470
  Mo     -2.634619      2.348869      5.258891
  N      -4.155663      2.050248      6.478296
  C      -3.981858      2.310353      7.901117
  C      -2.518536      2.098284      8.252317
  N      -1.656277      2.767181      7.228740
  C      -0.304661      2.150032      7.181510
  C      -0.378573      0.770799      6.519277
  C      -1.560183      4.245732      7.462629
  C      -1.549216      4.928660      6.095248
  N      -2.632243      4.357344      5.321583
  H       0.595091      0.558950      6.032315
  H      -0.517730     -0.028293      7.277094
  H       0.334473      2.822701      6.593506
  H       0.117056      2.086462      8.200383
  H      -1.640940      6.024168      6.201413
  H      -0.579447      4.743246      5.598178
  H      -2.457229      4.553371      8.017083
  H      -0.676431      4.472613      8.083877
  H      -4.591145      1.630076      8.520182
  H      -4.302079      3.343166      8.154211
  H      -2.299234      1.024337      8.202884
  H      -2.265263      2.469000      9.260608
  C      -4.167317     -6.264666      2.871884
  C      -3.284331     -5.068540      3.135161
  O      -2.135654     -5.211578      3.551425
  C      -3.853852     -3.706398      2.903084
  C      -5.038271     -3.494005      2.169247
  C      -5.490784     -2.186624      1.972089
  C      -4.802520     -1.123529      2.526260
  F      -5.298893      0.124138      2.310287
  C      -3.623269     -1.278057      3.311012
  C      -2.935231     -0.219440      3.974091
  O      -3.347559      1.022877      3.944611
  C      -1.760538     -0.456240      4.885780
  C      -3.175030     -2.618420      3.445848
  C      -6.006538     11.603895      1.891292
  C      -5.079503     10.414547      2.012011
  O      -4.053671     10.347219      1.339114
  C      -5.445369      9.327198      2.970735
  C      -6.589715      9.396021      3.791446
  C      -6.884022      8.353858      4.668967
  C      -6.031398      7.261475      4.731915
  F      -6.376966      6.250136      5.575240
  C      -4.871357      7.144802      3.939532
  C      -3.899021      6.018299      3.975348
  O      -3.145411      5.811974      3.023263
  C      -3.847826      5.110893      5.215952
  C      -4.618906      8.204004      3.052366
  C      -7.995956     -5.358330      3.929706
  C      -7.056475     -4.507577      4.757178
  O      -6.102846     -5.019277      5.345351
  C      -7.321072     -3.043265      4.838450
  C      -8.444525     -2.445257      4.232377
  C      -8.639260     -1.071087      4.316673
  C      -7.703202     -0.293277      4.986297
  F      -7.950073      1.041804      5.052445
  C      -6.553562     -0.835610      5.590950
  C      -5.447226     -0.061898      6.243093
  O      -4.553025     -0.654538      6.840943
  C      -5.406828      1.460485      6.083520
  C      -6.406269     -2.227717      5.509875
  H      -3.618679     -7.178384      3.124296
  H      -5.079918     -6.194143      3.483470
  H      -4.473279     -6.302900      1.815184
  H      -5.589272     -4.328127      1.737682
  H      -6.393644     -1.975763      1.397609
  H      -0.872069     -0.805954      4.315041
  H      -1.993918     -1.268993      5.602970
  H      -2.266654     -2.832419      4.008970
  H      -6.096515     12.127312      2.855564
  H      -7.020292     11.285364      1.604826
  H      -5.610137     12.292472      1.137847
  H      -7.255794     10.257067      3.748284
  H      -7.773471      8.370363      5.299370
  H      -4.074293      5.697532      6.125451
  H      -4.697477      4.406743      5.096105
  H      -3.737869      8.144442      2.412155
  H      -9.028448     -5.287564      4.304978
  H      -7.666193     -6.401830      3.970880
  H      -8.012641     -5.018298      2.882829
  H      -9.173600     -3.050628      3.694520
  H      -9.506629     -0.586150      3.868257
  H      -6.264977      1.891115      6.636071
  H      -5.604774      1.685618      5.023532
  H      -5.520977     -2.677162      5.961000
  N      -1.076829      2.840904      3.493828
  H      -0.462861      2.044199      3.310056
  H      -0.488524      3.667022      3.625518
  H      -1.619103      3.014578      2.643219
90
Coordinates from ORCA-job orca E -6508.094295379509
  N      -1.478086      0.775447      5.580908
  Mo     -2.647623      2.342723      5.304114
  N      -4.148268      2.051942      6.543083
  C      -3.959056      2.305202      7.966410
  C      -2.491058      2.088144      8.297654
  N      -1.642595      2.753602      7.261243
  C      -0.295847      2.127144      7.188015
  C      -0.392562      0.747549      6.528748
  C      -1.538592      4.230785      7.494332
  C      -1.531500      4.918390      6.128630
  N      -2.617045      4.355050      5.351163
  H       0.578290      0.516460      6.045542
  H      -0.548412     -0.045889      7.289287
  H       0.337212      2.793606      6.586606
  H       0.146011      2.058947      8.198127
  H      -1.620504      6.013250      6.242258
  H      -0.563322      4.735002      5.626949
  H      -2.433129      4.542464      8.050671
  H      -0.651991      4.456087      8.112385
  H      -4.562708      1.623483      8.588640
  H      -4.273210      3.337740      8.227805
  H      -2.279417      1.012712      8.246522
  H      -2.223850      2.458283      9.302526
  C      -4.157334     -6.237678      2.765955
  C      -3.285798     -5.038360      3.054723
  O      -2.133996     -5.178091      3.462954
  C      -3.870259     -3.676966      2.851688
  C      -5.059821     -3.459410      2.128242
  C      -5.527444     -2.151787      1.965119
  C      -4.846594     -1.095141      2.540214
  F      -5.362276      0.151144      2.363343
  C      -3.658615     -1.256112      3.310706
  C      -2.969394     -0.205109      3.985644
  O      -3.389838      1.034446      3.990422
  C      -1.786973     -0.457831      4.885484
  C      -3.197999     -2.594482      3.414236
  C      -6.030325     11.555641      1.814466
  C      -5.075635     10.392633      1.973064
  O      -4.024769     10.350500      1.338088
  C      -5.446605      9.298541      2.923188
  C      -6.621981      9.336991      3.700628
  C      -6.917621      8.289614      4.571358
  C      -6.037305      7.221661      4.670933
  F      -6.384314      6.207568      5.509341
  C      -4.846910      7.134813      3.920722
  C      -3.843538      6.036697      3.993732
  O      -3.042205      5.861888      3.074767
  C      -3.821407      5.122310      5.228839
  C      -4.592250      8.199484      3.040368
  C      -7.968042     -5.322157      3.897512
  C      -7.028614     -4.487308      4.742374
  O      -6.069596     -5.007394      5.313837
  C      -7.299012     -3.026073      4.856592
  C      -8.426865     -2.421344      4.266205
  C      -8.630834     -1.051231      4.379485
  C      -7.699185     -0.281498      5.065792
  F      -7.953987      1.049321      5.161513
  C      -6.548429     -0.830029      5.659350
  C      -5.454416     -0.057666      6.337257
  O      -4.580312     -0.649840      6.964208
  C      -5.406570      1.463556      6.163770
  C      -6.388563     -2.218756      5.545533
  H      -3.595455     -7.152562      2.982737
  H      -5.058198     -6.194395      3.396943
  H      -4.480594     -6.247090      1.713953
  H      -5.604641     -4.288393      1.679306
  H      -6.437019     -1.937071      1.402744
  H      -0.907085     -0.817132      4.308702
  H      -2.028092     -1.270909      5.600606
  H      -2.284513     -2.812981      3.967504
  H      -6.168120     12.079038      2.773196
  H      -7.023369     11.207082      1.492436
  H      -5.626731     12.253050      1.072923
  H      -7.310948     10.178142      3.629724
  H      -7.829298      8.283416      5.169569
  H      -4.057670      5.710046      6.136387
  H      -4.679469      4.430911      5.095399
  H      -3.686715      8.162634      2.433361
  H      -8.998231     -5.268348      4.282022
  H      -7.632807     -6.364811      3.909838
  H      -7.992080     -4.955463      2.859939
  H      -9.152357     -3.019309      3.715074
  H      -9.502197     -0.562999      3.942323
  H      -6.258491      1.901753      6.719527
  H      -5.610559      1.678418      5.103066
  H      -5.501669     -2.672660      5.989077
  N      -1.106197      2.835825      3.513058
  H      -0.501652      2.037726      3.306592
  H      -0.513862      3.659031      3.641723
  H      -1.672490      3.021226      2.681144
90
Coordinates from ORCA-job orca E -6508.095091771155
  N      -1.518995      0.765438      5.589276
  Mo     -2.679956      2.341768      5.348122
  N      -4.161664      2.065150      6.608175
  C      -3.954828      2.314477      8.031997
  C      -2.483447      2.086942      8.342916
  N      -1.644541      2.742289      7.292672
  C      -0.307325      2.097205      7.193754
  C      -0.437470      0.716239      6.543194
  C      -1.523339      4.217893      7.522352
  C      -1.519440      4.908977      6.157902
  N      -2.613105      4.357894      5.381895
  H       0.528480      0.455897      6.065527
  H      -0.617590     -0.066747      7.309341
  H       0.321843      2.751726      6.575284
  H       0.155431      2.025484      8.194416
  H      -1.600463      6.003784      6.277529
  H      -0.554519      4.722444      5.650176
  H      -2.412182      4.539231      8.082496
  H      -0.630868      4.436269      8.134971
  H      -4.553831      1.633271      8.658576
  H      -4.260410      3.347794      8.299621
  H      -2.284197      1.009080      8.292554
  H      -2.199965      2.457449      9.343319
  C      -4.218491     -6.193762      2.620803
  C      -3.355731     -4.999405      2.956647
  O      -2.206172     -5.145698      3.368838
  C      -3.947692     -3.635001      2.795781
  C      -5.140237     -3.400689      2.082931
  C      -5.613887     -2.090339      1.959963
  C      -4.932886     -1.047938      2.560610
  F      -5.454291      0.200410      2.421344
  C      -3.738699     -1.226388      3.317668
  C      -3.041212     -0.189017      4.005322
  O      -3.459667      1.051327      4.036595
  C      -1.852806     -0.462141      4.893700
  C      -3.275990     -2.566192      3.386055
  C      -6.009631     11.533657      1.729573
  C      -5.036475     10.392194      1.929781
  O      -3.961550     10.369826      1.335384
  C      -5.419790      9.293935      2.871193
  C      -6.625195      9.308986      3.602021
  C      -6.929843      8.259066      4.466682
  C      -6.029961      7.211447      4.606256
  F      -6.385501      6.197442      5.440340
  C      -4.810605      7.147236      3.901751
  C      -3.784327      6.071716      4.015994
  O      -2.936558      5.926181      3.134820
  C      -3.801375      5.145505      5.242197
  C      -4.546222      8.214958      3.027675
  C      -7.797355     -5.346854      3.887081
  C      -6.881017     -4.496921      4.743231
  O      -5.909391     -4.997418      5.310355
  C      -7.197524     -3.046723      4.884847
  C      -8.345116     -2.468419      4.306512
  C      -8.596998     -1.108895      4.448117
  C      -7.691926     -0.321874      5.151455
  F      -7.993497      0.995804      5.277517
  C      -6.524416     -0.843391      5.735675
  C      -5.462507     -0.048099      6.440296
  O      -4.594726     -0.624614      7.090528
  C      -5.424839      1.471550      6.247453
  C      -6.315799     -2.223304      5.592521
  H      -3.648283     -7.112848      2.794650
  H      -5.113457     -6.184176      3.262475
  H      -4.551355     -6.160729      1.572365
  H      -5.683410     -4.217839      1.610229
  H      -6.526990     -1.863275      1.407827
  H      -0.984827     -0.839165      4.311258
  H      -2.106891     -1.269985      5.611097
  H      -2.358794     -2.797695      3.928162
  H      -6.194376     12.057848      2.680222
  H      -6.981623     11.161344      1.371189
  H      -5.593673     12.237109      1.000382
  H      -7.330337     10.133791      3.500338
  H      -7.863068      8.235478      5.030712
  H      -4.046277      5.733621      6.148557
  H      -4.670014      4.471466      5.091476
  H      -3.616733      8.195561      2.456772
  H      -8.826848     -5.332503      4.277694
  H      -7.429956     -6.378882      3.881281
  H      -7.836428     -4.964224      2.855730
  H      -9.050085     -3.079482      3.742751
  H      -9.485564     -0.642492      4.021342
  H      -6.271336      1.911790      6.809652
  H      -5.638614      1.674053      5.186661
  H      -5.415842     -2.657035      6.030457
  N      -1.155626      2.826282      3.531545
  H      -0.562225      2.026474      3.300786
  H      -0.556558      3.644943      3.657629
  H      -1.741927      3.027300      2.717325
90
Coordinates from ORCA-job orca E -6508.095825603418
  N      -1.510421      0.769195      5.579041
  Mo     -2.680817      2.341616      5.371624
  N      -4.153711      2.052555      6.636373
  C      -3.943201      2.289188      8.063606
  C      -2.469475      2.065166      8.366890
  N      -1.638159      2.729472      7.316970
  C      -0.302081      2.083923      7.200206
  C      -0.442095      0.705316      6.548224
  C      -1.520591      4.202341      7.556976
  C      -1.517496      4.908166      6.199935
  N      -2.605578      4.361869      5.412396
  H       0.526037      0.430831      6.083621
  H      -0.644313     -0.074009      7.312555
  H       0.319331      2.739210      6.574793
  H       0.173057      2.008122      8.194800
  H      -1.605990      6.000603      6.333698
  H      -0.549157      4.735556      5.693251
  H      -2.412266      4.516516      8.116608
  H      -0.630258      4.419138      8.173490
  H      -4.536813      1.598091      8.683683
  H      -4.252722      3.318191      8.341340
  H      -2.268711      0.987992      8.310831
  H      -2.183407      2.431602      9.368059
  C      -4.155843     -6.164698      2.529267
  C      -3.302052     -4.962630      2.861101
  O      -2.149275     -5.099363      3.266695
  C      -3.913369     -3.603672      2.727111
  C      -5.115091     -3.371342      2.029845
  C      -5.608913     -2.065528      1.938716
  C      -4.936958     -1.025703      2.554106
  F      -5.481547      0.216035      2.452116
  C      -3.731257     -1.202610      3.292623
  C      -3.039304     -0.170303      3.992098
  O      -3.470128      1.065621      4.047965
  C      -1.848239     -0.452249      4.875340
  C      -3.250807     -2.537298      3.332026
  C      -6.015111     11.513170      1.683316
  C      -5.017092     10.401245      1.923527
  O      -3.915072     10.416162      1.381219
  C      -5.409969      9.285281      2.840146
  C      -6.649188      9.257332      3.511118
  C      -6.960644      8.193550      4.355866
  C      -6.034993      7.174404      4.534673
  F      -6.396875      6.148454      5.350546
  C      -4.782555      7.152258      3.888729
  C      -3.726804      6.108700      4.045540
  O      -2.825608      6.011080      3.212792
  C      -3.785051      5.156953      5.250861
  C      -4.510874      8.234049      3.034570
  C      -7.895461     -5.350312      3.964175
  C      -6.926564     -4.502015      4.762810
  O      -5.936474     -5.008140      5.290402
  C      -7.225559     -3.048713      4.913898
  C      -8.386463     -2.464184      4.370896
  C      -8.628974     -1.104308      4.522656
  C      -7.702766     -0.324832      5.206607
  F      -7.995447      0.992594      5.347669
  C      -6.524638     -0.853342      5.761407
  C      -5.458755     -0.062852      6.466640
  O      -4.609317     -0.642159      7.138209
  C      -5.418994      1.457784      6.279317
  C      -6.321499     -2.232581      5.601888
  H      -3.567961     -7.077885      2.672235
  H      -5.029829     -6.178560      3.199200
  H      -4.521841     -6.120280      1.492718
  H      -5.651096     -4.185510      1.544032
  H      -6.531397     -1.841295      1.401298
  H      -0.983041     -0.832262      4.291728
  H      -2.109748     -1.260942      5.589673
  H      -2.326794     -2.767570      3.862751
  H      -6.261204     12.024559      2.626916
  H      -6.956165     11.112794      1.276118
  H      -5.587317     12.234566      0.978947
  H      -7.375076     10.059444      3.379002
  H      -7.917983      8.137445      4.875329
  H      -4.055093      5.733110      6.158821
  H      -4.652873      4.491230      5.066584
  H      -3.554338      8.247455      2.510136
  H      -8.901454     -5.322727      4.411194
  H      -7.539271     -6.386061      3.948977
  H      -7.986510     -4.976892      2.933158
  H      -9.109247     -3.070576      3.825047
  H      -9.526821     -0.632973      4.121721
  H      -6.260055      1.894476      6.852448
  H      -5.639160      1.666867      5.221765
  H      -5.415524     -2.673762      6.019411
  N      -1.165628      2.849333      3.549273
  H      -0.570080      2.058940      3.293063
  H      -0.571867      3.670163      3.685591
  H      -1.763668      3.065262      2.747549
90
Coordinates from ORCA-job orca E -6508.096435433336
  N      -1.538951      0.768029      5.577392
  Mo     -2.711997      2.342106      5.400925
  N      -4.168006      2.049627      6.683819
  C      -3.942389      2.285833      8.109482
  C      -2.465491      2.062240      8.396842
  N      -1.645561      2.723816      7.337169
  C      -0.315565      2.069417      7.196977
  C      -0.479222      0.689223      6.555485
  C      -1.520952      4.194970      7.578372
  C      -1.529485      4.907284      6.224867
  N      -2.622385      4.365907      5.440838
  H       0.486212      0.389959      6.100891
  H      -0.704511     -0.078555      7.325087
  H       0.296136      2.717156      6.554293
  H       0.180153      1.995205      8.181708
  H      -1.618947      5.998562      6.366671
  H      -0.563435      4.741249      5.710944
  H      -2.407285      4.509576      8.146254
  H      -0.624845      4.407947      8.188006
  H      -4.528011      1.591732      8.733396
  H      -4.251172      3.313853      8.390751
  H      -2.266884      0.984705      8.342072
  H      -2.168097      2.431095      9.393821
  C      -4.166135     -6.128700      2.395355
  C      -3.331446     -4.928107      2.777848
  O      -2.173783     -5.063849      3.169299
  C      -3.955902     -3.571957      2.680856
  C      -5.164280     -3.333653      1.997696
  C      -5.668819     -2.030164      1.939216
  C      -4.999416     -0.998386      2.570865
  F      -5.552825      0.241196      2.497064
  C      -3.786389     -1.181567      3.295838
  C      -3.092074     -0.157432      4.005402
  O      -3.523788      1.078075      4.077170
  C      -1.894867     -0.449875      4.877179
  C      -3.297342     -2.513962      3.304983
  C      -5.964428     11.518921      1.624951
  C      -4.958994     10.422747      1.903824
  O      -3.835213     10.458401      1.409586
  C      -5.371612      9.296640      2.799319
  C      -6.638468      9.244725      3.414332
  C      -6.967303      8.174376      4.243663
  C      -6.031938      7.171636      4.461935
  F      -6.410339      6.141571      5.264634
  C      -4.752947      7.172114      3.870437
  C      -3.684358      6.146588      4.069830
  O      -2.733144      6.088749      3.291119
  C      -3.788151      5.174099      5.254956
  C      -4.463216      8.261425      3.032024
  C      -7.806290     -5.385352      3.988778
  C      -6.846060     -4.526887      4.786940
  O      -5.827742     -5.013295      5.276980
  C      -7.169515     -3.080324      4.955947
  C      -8.347572     -2.512897      4.433367
  C      -8.615999     -1.160144      4.604855
  C      -7.697277     -0.371647      5.288584
  F      -8.010946      0.938669      5.448185
  C      -6.503915     -0.883386      5.824324
  C      -5.454075     -0.078694      6.536674
  O      -4.602345     -0.647022      7.214524
  C      -5.432312      1.441317      6.343861
  C      -6.273963     -2.255664      5.644686
  H      -3.558130     -7.035689      2.482659
  H      -5.027853     -6.195918      3.077532
  H      -4.551723     -6.039582      1.368979
  H      -5.697414     -4.140477      1.496532
  H      -6.596916     -1.801806      1.413355
  H      -1.039221     -0.842131      4.288198
  H      -2.162329     -1.253419      5.595776
  H      -2.367760     -2.749094      3.823688
  H      -6.261002     12.020669      2.559076
  H      -6.879326     11.104911      1.174127
  H      -5.518284     12.251419      0.943829
  H      -7.372169     10.033866      3.251221
  H      -7.944594      8.100770      4.722086
  H      -4.080677      5.742503      6.161852
  H      -4.656981      4.520736      5.038106
  H      -3.484504      8.293088      2.551092
  H      -8.803232     -5.393540      4.456100
  H      -7.422766     -6.410547      3.947379
  H      -7.927461     -4.995586      2.966902
  H      -9.064095     -3.127046      3.887948
  H      -9.527266     -0.701828      4.219587
  H      -6.268092      1.869789      6.931002
  H      -5.669818      1.647464      5.289673
  H      -5.355825     -2.684828      6.047771
  N      -1.218349      2.858965      3.558591
  H      -0.624676      2.075489      3.277722
  H      -0.626085      3.680595      3.696920
  H      -1.830977      3.086849      2.771291
90
Coordinates from ORCA-job orca E -6508.097028931738
  N      -1.571620      0.770900      5.568621
  Mo     -2.753032      2.344860      5.426377
  N      -4.189327      2.037585      6.731186
  C      -3.944529      2.275124      8.153065
  C      -2.463959      2.056274      8.422239
  N      -1.658893      2.719327      7.353171
  C      -0.334363      2.059615      7.185095
  C      -0.519041      0.678848      6.552750
  C      -1.530044      4.188271      7.599887
  C      -1.559922      4.910806      6.252626
  N      -2.659456      4.372340      5.477109
  H       0.443463      0.358535      6.106435
  H      -0.763716     -0.078731      7.326600
  H       0.262595      2.702617      6.523901
  H       0.185513      1.987835      8.157537
  H      -1.653422      6.000135      6.405604
  H      -0.597727      4.756817      5.727084
  H      -2.407944      4.498316      8.183139
  H      -0.625150      4.396961      8.197835
  H      -4.518789      1.576907      8.782844
  H      -4.254762      3.301507      8.437667
  H      -2.263077      0.979401      8.367791
  H      -2.154562      2.427707      9.414563
  C      -4.188116     -6.088021      2.273650
  C      -3.366385     -4.889057      2.687504
  O      -2.210470     -5.025928      3.083289
  C      -4.004370     -3.537385      2.631202
  C      -5.222520     -3.294899      1.967574
  C      -5.738252     -1.995198      1.943344
  C      -5.069239     -0.970911      2.587580
  F      -5.631733      0.265706      2.542732
  C      -3.846929     -1.158683      3.295530
  C      -3.151023     -0.142901      4.016208
  O      -3.584750      1.091840      4.101813
  C      -1.944468     -0.442749      4.871321
  C      -3.348718     -2.487860      3.272542
  C      -5.881745     11.542466      1.565695
  C      -4.877799     10.456892      1.887697
  O      -3.733255     10.507180      1.445551
  C      -5.317379      9.323148      2.760141
  C      -6.611502      9.253313      3.312601
  C      -6.965695      8.178620      4.125122
  C      -6.028322      7.188357      4.387850
  F      -6.431092      6.155930      5.175385
  C      -4.722967      7.205693      3.858117
  C      -3.649221      6.193671      4.106192
  O      -2.650318      6.169622      3.387896
  C      -3.808685      5.194634      5.261870
  C      -4.407461      8.300237      3.036295
  C      -7.698081     -5.444927      4.024426
  C      -6.742361     -4.567212      4.805781
  O      -5.706789     -5.032517      5.278102
  C      -7.098836     -3.130516      4.996035
  C      -8.295952     -2.585920      4.494676
  C      -8.594894     -1.242110      4.686959
  C      -7.686641     -0.441846      5.370404
  F      -8.026256      0.859576      5.550422
  C      -6.475973     -0.931578      5.886158
  C      -5.443504     -0.110394      6.602587
  O      -4.574438     -0.666783      7.268026
  C      -5.449498      1.409473      6.412024
  C      -6.215299     -2.295033      5.686478
  H      -3.564504     -6.987210      2.320506
  H      -5.038237     -6.195264      2.964432
  H      -4.592686     -5.970437      1.257877
  H      -5.755393     -4.094892      1.455545
  H      -6.674145     -1.763806      1.433137
  H      -1.099722     -0.842361      4.271822
  H      -2.210272     -1.243750      5.593820
  H      -2.412249     -2.726618      3.776779
  H      -6.229961     12.035474      2.486318
  H      -6.768790     11.120719      1.068939
  H      -5.411756     12.283598      0.910658
  H      -7.346696     10.032513      3.113641
  H      -7.962993      8.092041      4.557415
  H      -4.130778      5.751193      6.167070
  H      -4.674204      4.554273      5.002059
  H      -3.406900      8.345646      2.604132
  H      -8.683770     -5.478765      4.513631
  H      -7.290188     -6.459969      3.970426
  H      -7.851503     -5.054305      3.007275
  H      -9.003482     -3.210306      3.949402
  H      -9.520710     -0.800426      4.317846
  H      -6.278217      1.821571      7.020725
  H      -5.713415      1.617661      5.364722
  H      -5.283090     -2.708098      6.073211
  N      -1.291069      2.881977      3.562670
  H      -0.694084      2.111297      3.254168
  H      -0.704890      3.707423      3.705121
  H      -1.916999      3.119777      2.788885
90
Coordinates from ORCA-job orca E -6508.097641213394
  N      -1.599702      0.785148      5.548565
  Mo     -2.801360      2.352614      5.444131
  N      -4.216756      2.010391      6.769921
  C      -3.953108      2.248086      8.187042
  C      -2.467813      2.044121      8.438702
  N      -1.681223      2.719507      7.364190
  C      -0.358075      2.064977      7.165487
  C      -0.551260      0.685647      6.534871
  C      -1.557239      4.185821      7.623649
  C      -1.617723      4.924162      6.286687
  N      -2.722423      4.383773      5.521969
  H       0.410764      0.357391      6.093119
  H      -0.805063     -0.068713      7.309176
  H       0.218189      2.711546      6.489181
  H       0.186647      1.995528      8.124447
  H      -1.721837      6.010077      6.455606
  H      -0.659580      4.791557      5.746994
  H      -2.425510      4.482025      8.227994
  H      -0.642498      4.392607      8.206823
  H      -4.511527      1.541625      8.822238
  H      -4.271041      3.270445      8.476953
  H      -2.255601      0.969931      8.380906
  H      -2.150004      2.416709      9.427944
  C      -4.195183     -6.045747      2.160724
  C      -3.387684     -4.848429      2.605208
  O      -2.228769     -4.984233      2.992208
  C      -4.039036     -3.503081      2.584411
  C      -5.270741     -3.263160      1.945449
  C      -5.801564     -1.970005      1.954240
  C      -5.132439     -0.948932      2.603460
  F      -5.709524      0.281507      2.589474
  C      -3.896439     -1.134110      3.287679
  C      -3.201571     -0.123710      4.017213
  O      -3.642973      1.108176      4.114852
  C      -1.981661     -0.424052      4.850547
  C      -3.385362     -2.457802      3.234289
  C      -5.755003     11.589097      1.506314
  C      -4.766335     10.503935      1.873178
  O      -3.603281     10.555803      1.482939
  C      -5.242744      9.369163      2.724078
  C      -6.561679      9.295084      3.212639
  C      -6.951761      8.220614      4.008246
  C      -6.024686      7.233734      4.316729
  F      -6.461683      6.203212      5.088301
  C      -4.695546      7.254882      3.851434
  C      -3.629857      6.245799      4.150344
  O      -2.586401      6.245315      3.497719
  C      -3.852297      5.219994      5.270315
  C      -4.343705      8.350136      3.045852
  C      -7.616265     -5.536199      4.083159
  C      -6.659302     -4.638211      4.837751
  O      -5.595410     -5.077310      5.268272
  C      -7.044789     -3.210978      5.048378
  C      -8.266085     -2.691456      4.582487
  C      -8.589383     -1.355482      4.791751
  C      -7.680720     -0.540899      5.456383
  F      -8.043396      0.751768      5.655903
  C      -6.446374     -1.006303      5.937617
  C      -5.417075     -0.167489      6.635815
  O      -4.523951     -0.709790      7.280734
  C      -5.465589      1.353887      6.466851
  C      -6.161710     -2.362212      5.722255
  H      -3.555150     -6.934338      2.168600
  H      -5.033942     -6.193701      2.857148
  H      -4.619035     -5.902636      1.156435
  H      -5.804817     -4.060370      1.430744
  H      -6.749327     -1.740845      1.465681
  H      -1.147447     -0.821226      4.234484
  H      -2.234412     -1.228192      5.574612
  H      -2.439575     -2.694884      3.721342
  H      -6.148798     12.079236      2.409742
  H      -6.617171     11.168875      0.966532
  H      -5.254503     12.331986      0.876636
  H      -7.288447     10.071402      2.975934
  H      -7.967842      8.131268      4.393076
  H      -4.211323      5.763284      6.170736
  H      -4.708606      4.591354      4.960103
  H      -3.323285      8.398840      2.663696
  H      -8.583254     -5.598958      4.605303
  H      -7.182099     -6.538794      4.007948
  H      -7.816140     -5.143492      3.074956
  H      -8.973134     -3.328330      4.051554
  H      -9.533610     -0.931553      4.450057
  H      -6.289001      1.735103      7.102879
  H      -5.761355      1.573261      5.430806
  H      -5.211276     -2.757974      6.081013
  N      -1.380539      2.929913      3.562403
  H      -0.770022      2.181468      3.225762
  H      -0.810151      3.765286      3.713540
  H      -2.017424      3.171369      2.798626
90
Coordinates from ORCA-job orca E -6508.098297733181
  N      -1.637377      0.805877      5.525262
  Mo     -2.864805      2.362048      5.469547
  N      -4.250905      1.975018      6.820904
  C      -3.963601      2.211753      8.231769
  C      -2.471954      2.026741      8.459093
  N      -1.711158      2.720753      7.378038
  C      -0.388317      2.078641      7.141031
  C      -0.583398      0.702963      6.504095
  C      -1.594534      4.184166      7.652363
  C      -1.693608      4.939595      6.327345
  N      -2.807097      4.395726      5.579488
  H       0.377663      0.379391      6.056508
  H      -0.831215     -0.056108      7.276147
  H       0.161937      2.735387      6.452426
  H       0.184355      2.008644      8.083561
  H      -1.808179      6.021353      6.514469
  H      -0.742680      4.830198      5.768504
  H      -2.449457      4.463915      8.282883
  H      -0.667119      4.391417      8.214739
  H      -4.502156      1.496847      8.875208
  H      -4.288656      3.229530      8.530222
  H      -2.245488      0.956065      8.393597
  H      -2.143682      2.398280      9.445367
  C      -4.189635     -5.995541      2.038712
  C      -3.399823     -4.796808      2.510582
  O      -2.236916     -4.925723      2.887702
  C      -4.072956     -3.462896      2.532034
  C      -5.321442     -3.231923      1.922933
  C      -5.875016     -1.949457      1.971983
  C      -5.209731     -0.929925      2.627493
  F      -5.809679      0.289389      2.652790
  C      -3.956596     -1.106362      3.281856
  C      -3.264137     -0.099576      4.019512
  O      -3.716935      1.126868      4.136035
  C      -2.024945     -0.398013      4.822634
  C      -3.425140     -2.419967      3.191376
  C      -5.593453     11.626763      1.420837
  C      -4.633968     10.531128      1.830954
  O      -3.458900     10.561036      1.476364
  C      -5.152882      9.413379      2.679208
  C      -6.488261      9.361083      3.122926
  C      -6.919271      8.301197      3.916511
  C      -6.015960      7.305982      4.266927
  F      -6.491778      6.291807      5.036622
  C      -4.671915      7.305607      3.848062
  C      -3.629778      6.285685      4.192839
  O      -2.553205      6.285439      3.595362
  C      -3.912126      5.250397      5.288521
  C      -4.278254      8.387574      3.044060
  C      -7.519364     -5.633844      4.131170
  C      -6.562300     -4.715550      4.859680
  O      -5.472317     -5.127115      5.248271
  C      -6.981855     -3.301658      5.099348
  C      -8.228803     -2.812065      4.673751
  C      -8.582208     -1.487731      4.907211
  C      -7.677573     -0.656174      5.555624
  F      -8.071973      0.622723      5.781492
  C      -6.417848     -1.091991      5.998057
  C      -5.391535     -0.233781      6.677110
  O      -4.468282     -0.759967      7.292318
  C      -5.486004      1.288144      6.535072
  C      -6.102973     -2.437231      5.758663
  H      -3.531450     -6.870309      2.011453
  H      -5.016584     -6.183486      2.739471
  H      -4.631548     -5.831728      1.045521
  H      -5.853236     -4.028071      1.404578
  H      -6.837536     -1.727137      1.509885
  H      -1.204049     -0.784623      4.181851
  H      -2.254336     -1.211593      5.544471
  H      -2.466452     -2.649947      3.655971
  H      -6.010267     12.132334      2.305220
  H      -6.444029     11.214439      0.857169
  H      -5.060817     12.354929      0.800577
  H      -7.196186     10.143633      2.851983
  H      -7.948471      8.229126      4.268424
  H      -4.300000      5.792107      6.178905
  H      -4.762842      4.634992      4.939683
  H      -3.244632      8.419494      2.697485
  H      -8.466325     -5.725856      4.684569
  H      -7.060379     -6.623181      4.032468
  H      -7.764487     -5.238703      3.134028
  H      -8.932554     -3.462890      4.155666
  H      -9.546748     -1.086056      4.597061
  H      -6.303532      1.633960      7.198573
  H      -5.815963      1.517985      5.511982
  H      -5.132811     -2.811510      6.086009
  N      -1.498884      2.988187      3.565350
  H      -0.871253      2.266385      3.201968
  H      -0.950616      3.837377      3.724088
  H      -2.150250      3.225878      2.812556
90
Coordinates from ORCA-job orca E -6508.099029242122
  N      -1.682750      0.833695      5.496653
  Mo     -2.940589      2.374121      5.495170
  N      -4.292760      1.932877      6.872703
  C      -3.980126      2.167918      8.275890
  C      -2.481389      2.007211      8.476398
  N      -1.751227      2.725586      7.389907
  C      -0.427636      2.103472      7.110911
  C      -0.616436      0.733061      6.460899
  C      -1.644895      4.185587      7.680204
  C      -1.786710      4.957720      6.368278
  N      -2.911704      4.408921      5.642474
  H       0.344407      0.426681      6.000379
  H      -0.844995     -0.037592      7.228009
  H       0.092418      2.776155      6.413513
  H       0.173964      2.031894      8.035156
  H      -1.910743      6.034695      6.575257
  H      -0.845298      4.872655      5.787497
  H      -2.483785      4.446733      8.339403
  H      -0.703718      4.396213      8.217619
  H      -4.495711      1.444198      8.929112
  H      -4.312939      3.180305      8.585496
  H      -2.236860      0.941223      8.400167
  H      -2.143266      2.376405      9.460337
  C      -4.181177     -5.941446      1.925504
  C      -3.408997     -4.738846      2.417452
  O      -2.240794     -4.856952      2.781488
  C      -4.106618     -3.419411      2.479404
  C      -5.372590     -3.202944      1.901366
  C      -5.951937     -1.933903      1.990937
  C      -5.292726     -0.913692      2.651295
  F      -5.919312      0.290910      2.717993
  C      -4.021634     -1.075805      3.273404
  C      -3.333050     -0.070612      4.017867
  O      -3.800063      1.148114      4.156667
  C      -2.071796     -0.364311      4.786023
  C      -3.466606     -2.376206      3.145800
  C      -5.399167     11.661189      1.324771
  C      -4.481482     10.545383      1.773652
  O      -3.300292     10.532266      1.439279
  C      -5.047953      9.460786      2.634367
  C      -6.392507      9.453388      3.051637
  C      -6.868870      8.421068      3.855168
  C      -6.001053      7.407173      4.241443
  F      -6.519466      6.421935      5.019989
  C      -4.649803      7.362940      3.851559
  C      -3.645117      6.319868      4.234690
  O      -2.546960      6.295223      3.676262
  C      -3.985267      5.288790      5.315274
  C      -4.209482      8.418834      3.037199
  C      -7.412109     -5.748774      4.183352
  C      -6.455498     -4.806864      4.881257
  O      -5.340716     -5.187465      5.226870
  C      -6.911192     -3.408320      5.149509
  C      -8.183917     -2.954617      4.766368
  C      -8.570347     -1.644146      5.023205
  C      -7.672990     -0.790680      5.653046
  F      -8.105300      0.470447      5.905378
  C      -6.387384     -1.190411      6.054644
  C      -5.363642     -0.308945      6.710319
  O      -4.408291     -0.814663      7.292844
  C      -5.509289      1.212074      6.601261
  C      -6.038931     -2.523309      5.790902
  H      -3.505463     -6.801344      1.869243
  H      -4.995995     -6.164242      2.630536
  H      -4.640225     -5.763581      0.942452
  H      -5.900047     -4.000407      1.380966
  H      -6.929955     -1.722265      1.557070
  H      -1.266520     -0.733559      4.114965
  H      -2.269367     -1.192255      5.501553
  H      -2.494092     -2.594387      3.586706
  H      -5.817369     12.196767      2.190800
  H      -6.251822     11.264305      0.753196
  H      -4.832642     12.359885      0.700772
  H      -7.072584     10.250114      2.751437
  H      -7.906257      8.384050      4.187971
  H      -4.390173      5.837666      6.194513
  H      -4.836683      4.690476      4.938343
  H      -3.168436      8.416214      2.712203
  H      -8.337276     -5.867821      4.767582
  H      -6.929881     -6.724484      4.062699
  H      -7.702445     -5.355099      3.197919
  H      -8.882445     -3.622860      4.263668
  H      -9.555879     -1.269848      4.746525
  H      -6.322549      1.516430      7.289981
  H      -5.873684      1.451171      5.592267
  H      -5.048647     -2.871102      6.085663
  N      -1.639626      3.057316      3.568589
  H      -0.994159      2.365538      3.177944
  H      -1.116713      3.920756      3.739023
  H      -2.305397      3.289606      2.826681
90
Coordinates from ORCA-job orca E -6508.099693113834
  N      -1.728106      0.864016      5.468283
  Mo     -3.013785      2.387144      5.522939
  N      -4.330470      1.890953      6.923468
  C      -3.994416      2.123476      8.319261
  C      -2.489157      1.986904      8.492910
  N      -1.790485      2.730759      7.402798
  C      -0.467113      2.130118      7.082401
  C      -0.649366      0.765727      6.418028
  C      -1.694712      4.186726      7.709336
  C      -1.878186      4.974961      6.412101
  N      -3.015441      4.421988      5.707522
  H       0.311177      0.478068      5.944395
  H      -0.857118     -0.017180      7.179289
  H       0.024082      2.818695      6.378988
  H       0.161601      2.055932      7.988271
  H      -2.010601      6.046548      6.640880
  H      -0.947347      4.915025      5.809785
  H      -2.517284      4.429526      8.395396
  H      -0.740889      4.402738      8.221721
  H      -4.487357      1.391631      8.981532
  H      -4.333538      3.130452      8.641470
  H      -2.227118      0.925931      8.403494
  H      -2.141934      2.352108      9.475305
  C      -4.181876     -5.882320      1.818906
  C      -3.426246     -4.677193      2.332049
  O      -2.254122     -4.785172      2.686483
  C      -4.145646     -3.371868      2.430096
  C      -5.424773     -3.167719      1.876631
  C      -6.025794     -1.911353      2.002715
  C      -5.372746     -0.891932      2.670188
  F      -6.020762      0.299295      2.772243
  C      -4.087538     -1.041528      3.265277
  C      -3.401830     -0.038166      4.015971
  O      -3.881040      1.172458      4.179219
  C      -2.119133     -0.327720      4.749254
  C      -3.513042     -2.329431      3.104923
  C      -5.215337     11.676351      1.227761
  C      -4.337498     10.544437      1.713659
  O      -3.153404     10.487645      1.394802
  C      -4.946836      9.496555      2.590972
  C      -6.296890      9.535201      2.987495
  C      -6.814428      8.533878      3.804261
  C      -5.981819      7.503305      4.223993
  F      -6.538486      6.549760      5.013821
  C      -4.626969      7.414257      3.857072
  C      -3.661641      6.348653      4.274975
  O      -2.545988      6.297117      3.751995
  C      -4.054818      5.328899      5.345804
  C      -4.143871      8.440698      3.029336
  C      -7.309573     -5.861517      4.239993
  C      -6.351304     -4.894404      4.900933
  O      -5.214284     -5.244112      5.202355
  C      -6.837754     -3.510067      5.192802
  C      -8.131573     -3.089772      4.846741
  C      -8.546851     -1.792519      5.122726
  C      -7.658230     -0.918382      5.737197
  F      -8.123903      0.325606      6.010911
  C      -6.352600     -1.284682      6.104589
  C      -5.334446     -0.381765      6.743671
  O      -4.352570     -0.867459      7.298443
  C      -5.526513      1.136599      6.662630
  C      -5.973532     -2.605242      5.818550
  H      -3.491271     -6.728358      1.737895
  H      -4.986686     -6.136214      2.525423
  H      -4.653329     -5.690918      0.844178
  H      -5.946857     -3.965097      1.350919
  H      -7.015527     -1.708450      1.591484
  H      -1.330961     -0.679159      4.048252
  H      -2.284724     -1.170197      5.456453
  H      -2.529502     -2.537296      3.525901
  H      -5.629102     12.243920      2.075586
  H      -6.072119     11.291916      0.653715
  H      -4.619833     12.343187      0.595872
  H      -6.949539     10.344413      2.659994
  H      -7.857260      8.533001      4.122148
  H      -4.470601      5.888249      6.213791
  H      -4.910338      4.750224      4.946545
  H      -3.098349      8.402434      2.721290
  H      -8.210241     -6.002608      4.856754
  H      -6.808168     -6.824948      4.100252
  H      -7.645495     -5.474634      3.266488
  H      -8.824078     -3.774157      4.357509
  H      -9.549301     -1.443851      4.874352
  H      -6.337790      1.401751      7.369825
  H      -5.919440      1.379585      5.665239
  H      -4.967181     -2.927910      6.086684
  N      -1.777750      3.127501      3.576496
  H      -1.115992      2.465787      3.161035
  H      -1.281248      4.003932      3.761529
  H      -2.457491      3.354100      2.845518
90
Coordinates from ORCA-job orca E -6508.100358824362
  N      -1.759753      0.890656      5.447509
  Mo     -3.065845      2.397998      5.553035
  N      -4.348986      1.855957      6.972045
  C      -3.992823      2.085739      8.361911
  C      -2.483248      1.967207      8.510638
  N      -1.812495      2.732362      7.418210
  C      -0.491077      2.148286      7.061840
  C      -0.673467      0.789208      6.387999
  C      -1.725870      4.183959      7.741565
  C      -1.947746      4.988561      6.461670
  N      -3.094309      4.432509      5.771666
  H       0.285670      0.510378      5.905971
  H      -0.870882     -0.000950      7.144804
  H      -0.023146      2.847824      6.353219
  H       0.160186      2.071975      7.951514
  H      -2.090336      6.053900      6.713291
  H      -1.027425      4.955527      5.840818
  H      -2.533818      4.408782      8.450658
  H      -0.762046      4.404957      8.232644
  H      -4.466794      1.346782      9.030264
  H      -4.335948      3.088020      8.694996
  H      -2.208229      0.910801      8.407405
  H      -2.126454      2.327607      9.491445
  C      -4.185976     -5.825200      1.717242
  C      -3.446725     -4.623381      2.262720
  O      -2.272782     -4.725310      2.612682
  C      -4.182713     -3.330340      2.394904
  C      -5.472321     -3.134485      1.863633
  C      -6.088383     -1.888835      2.020962
  C      -5.438150     -0.871363      2.694275
  F      -6.099909      0.309761      2.824248
  C      -4.142116     -1.012530      3.267029
  C      -3.457101     -0.011444      4.022633
  O      -3.943952      1.193240      4.206124
  C      -2.156144     -0.296539      4.725084
  C      -3.554315     -2.290659      3.078461
  C      -5.089089     11.662120      1.139981
  C      -4.235006     10.529055      1.663534
  O      -3.046079     10.450965      1.368514
  C      -4.874106      9.505551      2.549022
  C      -6.231424      9.567044      2.916209
  C      -6.778299      8.587661      3.739969
  C      -5.967181      7.554931      4.195411
  F      -6.551170      6.623713      4.990943
  C      -4.605979      7.444143      3.859620
  C      -3.665107      6.372169      4.316113
  O      -2.530906      6.312372      3.834713
  C      -4.105002      5.356537      5.371080
  C      -4.092655      8.449451      3.024259
  C      -7.235249     -5.927866      4.265277
  C      -6.276941     -4.944582      4.902156
  O      -5.123345     -5.270633      5.163186
  C      -6.783902     -3.573334      5.220709
  C      -8.090926     -3.172251      4.902590
  C      -8.523144     -1.885482      5.200103
  C      -7.638876     -1.002805      5.809136
  F      -8.121223      0.230123      6.102652
  C      -6.321588     -1.350881      6.150769
  C      -5.307014     -0.437712      6.781242
  O      -4.308265     -0.912445      7.315198
  C      -5.530451      1.077272      6.722426
  C      -5.924867     -2.661076      5.842477
  H      -3.482467     -6.657578      1.610191
  H      -4.984406     -6.113004      2.417973
  H      -4.664164     -5.613654      0.750088
  H      -5.991816     -3.930212      1.332867
  H      -7.087083     -1.692190      1.628781
  H      -1.383432     -0.634968      4.000564
  H      -2.296300     -1.148115      5.427035
  H      -2.562398     -2.492308      3.482249
  H      -5.513006     12.249907      1.968797
  H      -5.938840     11.277109      0.555918
  H      -4.473234     12.310245      0.508105
  H      -6.867028     10.377579      2.559625
  H      -7.827304      8.605163      4.036349
  H      -4.540163      5.921818      6.225650
  H      -4.956826      4.792020      4.945192
  H      -3.041212      8.393540      2.739879
  H      -8.113106     -6.091353      4.908671
  H      -6.718511     -6.879559      4.102623
  H      -7.609929     -5.541717      3.305546
  H      -8.779939     -3.863130      4.417565
  H      -9.535271     -1.550898      4.972464
  H      -6.335805      1.313412      7.446813
  H      -5.947521      1.323930      5.735687
  H      -4.908541     -2.969051      6.089500
  N      -1.886475      3.185127      3.590490
  H      -1.208709      2.551674      3.157034
  H      -1.417518      4.074729      3.785522
  H      -2.579181      3.401321      2.868563
90
Coordinates from ORCA-job orca E -6508.101125700857
  N      -1.769252      0.917847      5.434498
  Mo     -3.089179      2.407908      5.591706
  N      -4.345005      1.820100      7.015969
  C      -3.978603      2.036579      8.404669
  C      -2.465543      1.931148      8.532119
  N      -1.819986      2.724197      7.444484
  C      -0.497121      2.162845      7.060651
  C      -0.670331      0.814449      6.362805
  C      -1.744966      4.171862      7.787486
  C      -1.994902      4.993118      6.526090
  N      -3.154188      4.437888      5.845413
  H       0.288540      0.560173      5.866357
  H      -0.844806      0.006576      7.106622
  H      -0.040389      2.878997      6.361596
  H       0.164545      2.074139      7.941589
  H      -2.145543      6.051895      6.803350
  H      -1.085519      4.985604      5.888998
  H      -2.542224      4.380795      8.513409
  H      -0.774525      4.402936      8.260955
  H      -4.440970      1.292333      9.074949
  H      -4.318434      3.034913      8.754969
  H      -2.180991      0.879367      8.405272
  H      -2.103981      2.277314      9.516523
  C      -4.171235     -5.775395      1.655548
  C      -3.446185     -4.576081      2.229791
  O      -2.273960     -4.671376      2.587395
  C      -4.195131     -3.290074      2.374104
  C      -5.486051     -3.097426      1.845689
  C      -6.110286     -1.855827      2.015009
  C      -5.464559     -0.840738      2.696416
  F      -6.131971      0.337144      2.834807
  C      -4.166425     -0.978758      3.264733
  C      -3.483089      0.021834      4.023743
  O      -3.971828      1.220058      4.235228
  C      -2.165937     -0.263213      4.701518
  C      -3.571619     -2.251842      3.066082
  C      -5.042595     11.593992      1.027345
  C      -4.201743     10.457128      1.563500
  O      -3.023724     10.336687      1.240545
  C      -4.844037      9.478988      2.499422
  C      -6.189050      9.588298      2.900097
  C      -6.739929      8.648922      3.766627
  C      -5.945240      7.607412      4.231581
  F      -6.531852      6.714333      5.065103
  C      -4.595602      7.451630      3.864872
  C      -3.680174      6.363155      4.329316
  O      -2.556839      6.260057      3.828650
  C      -4.135127      5.385901      5.412277
  C      -4.077352      8.416965      2.986134
  C      -7.235024     -5.960447      4.274445
  C      -6.263850     -4.975249      4.893331
  O      -5.104522     -5.299869      5.133666
  C      -6.768677     -3.606721      5.222343
  C      -8.076463     -3.199638      4.906993
  C      -8.506486     -1.915193      5.213576
  C      -7.622720     -1.036138      5.832067
  F      -8.107446      0.193397      6.132145
  C      -6.307505     -1.390317      6.172658
  C      -5.287699     -0.484564      6.811169
  O      -4.290651     -0.964540      7.344265
  C      -5.517252      1.030478      6.763343
  C      -5.910964     -2.698184      5.852234
  H      -3.462813     -6.603803      1.547593
  H      -4.979132     -6.076602      2.340973
  H      -4.631180     -5.548411      0.682692
  H      -5.999867     -3.891364      1.305919
  H      -7.110346     -1.660080      1.624950
  H      -1.406420     -0.581521      3.954191
  H      -2.280034     -1.129400      5.389869
  H      -2.577806     -2.451593      3.466353
  H      -5.427315     12.218143      1.849091
  H      -5.916825     11.208873      0.480102
  H      -4.430902     12.207285      0.357169
  H      -6.812629     10.405454      2.536182
  H      -7.780567      8.704256      4.088423
  H      -4.551392      5.976535      6.257002
  H      -5.008641      4.844074      4.998754
  H      -3.035198      8.324178      2.676971
  H      -8.101470     -6.124615      4.933292
  H      -6.723000     -6.913299      4.101771
  H      -7.626025     -5.574114      3.320784
  H      -8.767133     -3.885471      4.416300
  H      -9.518300     -1.577446      4.987179
  H      -6.330868      1.249966      7.483983
  H      -5.933147      1.277096      5.775271
  H      -4.894956     -3.007689      6.100912
  N      -1.954123      3.244483      3.619552
  H      -1.262285      2.628398      3.184602
  H      -1.511741      4.144208      3.831541
  H      -2.655119      3.449520      2.902476
90
Coordinates from ORCA-job orca E -6508.102071811267
  N      -1.783073      0.936755      5.438067
  Mo     -3.099338      2.417182      5.638025
  N      -4.326526      1.809481      7.068366
  C      -3.949639      2.015371      8.459142
  C      -2.436033      1.910268      8.563224
  N      -1.809089      2.712837      7.472981
  C      -0.490433      2.153811      7.064731
  C      -0.683659      0.810163      6.365703
  C      -1.737156      4.157175      7.835575
  C      -2.012082      4.997039      6.597016
  N      -3.175589      4.445696      5.913202
  H       0.268549      0.539172      5.865706
  H      -0.873628      0.004289      7.106802
  H      -0.040593      2.871393      6.363669
  H       0.182108      2.058614      7.936945
  H      -2.176937      6.048805      6.896117
  H      -1.112007      5.014542      5.949431
  H      -2.526816      4.351311      8.574091
  H      -0.762552      4.389156      8.299982
  H      -4.402001      1.261505      9.123869
  H      -4.290269      3.008766      8.820184
  H      -2.152365      0.860893      8.419645
  H      -2.060992      2.248421      9.545367
  C      -4.210822     -5.702425      1.555058
  C      -3.493051     -4.521220      2.173048
  O      -2.318186     -4.618315      2.520681
  C      -4.247910     -3.243093      2.357669
  C      -5.547777     -3.045440      1.856174
  C      -6.172679     -1.809108      2.053938
  C      -5.517839     -0.802353      2.739799
  F      -6.181720      0.373946      2.900614
  C      -4.211111     -0.947360      3.287375
  C      -3.520114      0.044673      4.049308
  O      -4.005567      1.240753      4.281779
  C      -2.191653     -0.241609      4.707345
  C      -3.616262     -2.216467      3.060096
  C      -5.014432     11.528187      0.952086
  C      -4.167841     10.417843      1.533695
  O      -2.973717     10.326146      1.265765
  C      -4.827380      9.428691      2.447235
  C      -6.192020      9.507534      2.783120
  C      -6.759199      8.564184      3.634618
  C      -5.960923      7.549218      4.148302
  F      -6.566875      6.654226      4.966121
  C      -4.590228      7.423372      3.845301
  C      -3.663144      6.363488      4.362307
  O      -2.512557      6.304727      3.923855
  C      -4.148123      5.379426      5.427630
  C      -4.057332      8.392461      2.979987
  C      -7.183647     -5.934111      4.220233
  C      -6.217988     -4.954001      4.855668
  O      -5.051815     -5.272553      5.072019
  C      -6.725409     -3.596323      5.217367
  C      -8.038986     -3.185141      4.921732
  C      -8.470915     -1.909930      5.264896
  C      -7.583590     -1.044011      5.896876
  F      -8.060032      0.180516      6.233242
  C      -6.265442     -1.402873      6.215008
  C      -5.252859     -0.505399      6.868370
  O      -4.248697     -0.988209      7.386101
  C      -5.496061      1.006308      6.827457
  C      -5.867202     -2.700857      5.862228
  H      -3.495772     -6.518585      1.405753
  H      -5.008377     -6.041957      2.233552
  H      -4.679985     -5.437667      0.596492
  H      -6.068820     -3.831125      1.310156
  H      -7.178767     -1.611483      1.681057
  H      -1.438093     -0.555726      3.953153
  H      -2.301014     -1.106615      5.396907
  H      -2.616589     -2.423875      3.441296
  H      -5.453746     12.143577      1.752264
  H      -5.849750     11.114220      0.366398
  H      -4.391183     12.157472      0.307727
  H      -6.818188     10.304040      2.381305
  H      -7.814505      8.597556      3.907718
  H      -4.601103      5.969265      6.252021
  H      -5.000864      4.833401      4.983350
  H      -2.999540      8.323638      2.721403
  H      -8.039699     -6.122898      4.885827
  H      -6.662466     -6.877429      4.023530
  H      -7.588657     -5.534415      3.277382
  H      -8.732312     -3.860166      4.419654
  H      -9.485339     -1.569278      5.055391
  H      -6.299759      1.213855      7.563196
  H      -5.924252      1.255624      5.845120
  H      -4.847703     -3.011305      6.094583
  N      -1.992979      3.275621      3.655157
  H      -1.294592      2.668717      3.219691
  H      -1.570187      4.186176      3.861762
  H      -2.707939      3.466654      2.948358
90
Coordinates from ORCA-job orca E -6508.102956328391
  N      -1.824763      0.979345      5.414298
  Mo     -3.156859      2.438163      5.667974
  N      -4.344052      1.780778      7.109067
  C      -3.944128      1.972906      8.494960
  C      -2.428223      1.886131      8.568982
  N      -1.834948      2.716189      7.480323
  C      -0.516415      2.183075      7.036897
  C      -0.704349      0.850846      6.314923
  C      -1.777385      4.153810      7.869225
  C      -2.093722      5.016739      6.656678
  N      -3.262389      4.459702      5.989628
  H       0.240302      0.603559      5.789157
  H      -0.868778      0.027413      7.042117
  H      -0.090768      2.921846      6.342645
  H       0.172539      2.081139      7.895272
  H      -2.273772      6.057902      6.983380
  H      -1.209659      5.067296      5.988939
  H      -2.551168      4.318730      8.630981
  H      -0.795758      4.390478      8.314625
  H      -4.374729      1.203752      9.156750
  H      -4.292153      2.957045      8.872819
  H      -2.133369      0.844108      8.400551
  H      -2.036582      2.212772      9.548407
  C      -4.241206     -5.629431      1.476167
  C      -3.530574     -4.453782      2.109908
  O      -2.348533     -4.541869      2.433618
  C      -4.299417     -3.191215      2.334366
  C      -5.613542     -3.006290      1.866827
  C      -6.251665     -1.783112      2.096209
  C      -5.595425     -0.775879      2.779797
  F      -6.270530      0.388811      2.971488
  C      -4.274781     -0.909552      3.295865
  C      -3.580983      0.080567      4.055920
  O      -4.077176      1.267857      4.310670
  C      -2.233821     -0.194312      4.677279
  C      -3.667035     -2.166272      3.037376
  C      -4.855505     11.479989      0.866962
  C      -4.047564     10.361506      1.486375
  O      -2.851730     10.235546      1.242607
  C      -4.746624      9.407912      2.407749
  C      -6.114094      9.526433      2.717040
  C      -6.718832      8.615132      3.577388
  C      -5.954620      7.592394      4.125881
  F      -6.597688      6.730260      4.951439
  C      -4.582132      7.428238      3.851458
  C      -3.685154      6.358076      4.403875
  O      -2.527758      6.270914      3.988339
  C      -4.209849      5.395210      5.467711
  C      -4.011586      8.365649      2.976022
  C      -7.069226     -5.991774      4.224789
  C      -6.118549     -4.990091      4.846046
  O      -4.939602     -5.277906      5.030950
  C      -6.654029     -3.650978      5.233931
  C      -7.982966     -3.272217      4.968492
  C      -8.441265     -2.013425      5.337545
  C      -7.565312     -1.132888      5.963523
  F      -8.068857      0.072907      6.329168
  C      -6.230414     -1.458675      6.249926
  C      -5.227363     -0.545211      6.893248
  O      -4.198790     -1.009892      7.378528
  C      -5.503807      0.960389      6.878162
  C      -5.806926     -2.741885      5.873054
  H      -3.517527     -6.432168      1.299658
  H      -5.026111     -5.995406      2.154349
  H      -4.725136     -5.349514      0.529610
  H      -6.136168     -3.791994      1.323035
  H      -7.268878     -1.596578      1.749819
  H      -1.493791     -0.484551      3.900130
  H      -2.312190     -1.069395      5.358036
  H      -2.656410     -2.364734      3.392725
  H      -5.294236     12.121581      1.646037
  H      -5.689559     11.074893      0.274017
  H      -4.205491     12.080693      0.222351
  H      -6.713337     10.328638      2.287599
  H      -7.777121      8.679717      3.830801
  H      -4.669071      6.004861      6.274382
  H      -5.059094      4.852722      5.014576
  H      -2.951610      8.266655      2.738558
  H      -7.904352     -6.208025      4.907977
  H      -6.525191     -6.917981      4.010840
  H      -7.506286     -5.599174      3.293781
  H      -8.667556     -3.958791      4.471025
  H      -9.468019     -1.697287      5.152948
  H      -6.294194      1.143951      7.634123
  H      -5.955347      1.215962      5.908774
  H      -4.775262     -3.027769      6.080200
  N      -2.109648      3.341319      3.677526
  H      -1.390699      2.760516      3.240555
  H      -1.722187      4.268279      3.881925
  H      -2.832875      3.503561      2.972487
90
Coordinates from ORCA-job orca E -6508.103722958816
  N      -1.866743      1.011476      5.393568
  Mo     -3.201830      2.455532      5.688674
  N      -4.361003      1.769577      7.132739
  C      -3.943599      1.941873      8.517093
  C      -2.426787      1.861191      8.566837
  N      -1.857663      2.712334      7.480087
  C      -0.539307      2.199011      7.012581
  C      -0.726640      0.878038      6.268680
  C      -1.808533      4.143942      7.892983
  C      -2.146192      5.031156      6.701932
  N      -3.314161      4.473102      6.040984
  H       0.207881      0.649091      5.717752
  H      -0.870397      0.039793      6.982961
  H      -0.129679      2.956842      6.329029
  H       0.157761      2.087562      7.862834
  H      -2.338142      6.062147      7.053615
  H      -1.271838      5.107211      6.023906
  H      -2.573404      4.284439      8.668201
  H      -0.823667      4.379062      8.330731
  H      -4.361411      1.158248      9.170059
  H      -4.295015      2.918225      8.910374
  H      -2.131065      0.823608      8.374706
  H      -2.016851      2.173938      9.543087
  C      -4.277882     -5.572752      1.431766
  C      -3.569751     -4.395567      2.062509
  O      -2.380022     -4.471390      2.359056
  C      -4.350808     -3.146932      2.318132
  C      -5.676983     -2.974751      1.879905
  C      -6.325898     -1.762166      2.133364
  C      -5.669320     -0.753264      2.813796
  F      -6.354047      0.400240      3.032578
  C      -4.337064     -0.876410      3.302647
  C      -3.638151      0.111858      4.057703
  O      -4.141868      1.292067      4.333025
  C      -2.280255     -0.159513      4.654034
  C      -3.718341     -2.121814      3.019089
  C      -4.740041     11.465418      0.827821
  C      -3.955785     10.348782      1.480242
  O      -2.753817     10.217388      1.273258
  C      -4.684654      9.403881      2.386316
  C      -6.059803      9.527494      2.655503
  C      -6.689954      8.622408      3.504751
  C      -5.944171      7.601547      4.081455
  F      -6.612387      6.744737      4.894184
  C      -4.566489      7.432323      3.847303
  C      -3.684439      6.363375      4.425911
  O      -2.513929      6.280679      4.045229
  C      -4.238047      5.407974      5.482078
  C      -3.969754      8.363545      2.982814
  C      -6.961541     -6.038846      4.239672
  C      -6.026215     -5.019679      4.853667
  O      -4.841261     -5.286240      5.029054
  C      -6.584165     -3.692516      5.250761
  C      -7.923617     -3.346254      5.002770
  C      -8.408462     -2.101007      5.383828
  C      -7.547763     -1.203397      6.004527
  F      -8.078046     -0.013867      6.385749
  C      -6.200074     -1.494625      6.272236
  C      -5.213269     -0.560998      6.910906
  O      -4.172015     -1.004942      7.388375
  C      -5.516542      0.939343      6.908034
  C      -5.750251     -2.765780      5.882240
  H      -3.548405     -6.365275      1.234666
  H      -5.046534     -5.954302      2.119173
  H      -4.781118     -5.289445      0.496436
  H      -6.200757     -3.761317      1.339111
  H      -7.352143     -1.587161      1.808959
  H      -1.548305     -0.438956      3.865590
  H      -2.345873     -1.038074      5.332033
  H      -2.698356     -2.310724      3.351728
  H      -5.199491     12.114635      1.588188
  H      -5.557002     11.059104      0.212886
  H      -4.068112     12.058183      0.198965
  H      -6.645677     10.327600      2.204548
  H      -7.754570      8.690758      3.727581
  H      -4.707218      6.035174      6.271098
  H      -5.082479      4.864202      5.020328
  H      -2.904037      8.260492      2.776084
  H      -7.787560     -6.269670      4.929168
  H      -6.400247     -6.954188      4.024696
  H      -7.411535     -5.657325      3.310985
  H      -8.596474     -4.047046      4.509920
  H      -9.444862     -1.809979      5.213599
  H      -6.297070      1.113786      7.675292
  H      -5.979055      1.194763      5.944712
  H      -4.709540     -3.027736      6.074447
  N      -2.187388      3.373989      3.692036
  H      -1.447212      2.805266      3.275630
  H      -1.834844      4.320375      3.874564
  H      -2.912372      3.489964      2.980017
90
Coordinates from ORCA-job orca E -6508.104295443930
  N      -1.889865      1.039236      5.384211
  Mo     -3.232084      2.467667      5.710393
  N      -4.370085      1.754154      7.155410
  C      -3.938781      1.909827      8.538229
  C      -2.421454      1.838908      8.568989
  N      -1.873546      2.711404      7.486681
  C      -0.553104      2.220404      7.001316
  C      -0.733843      0.908212      6.239710
  C      -1.834277      4.137253      7.921999
  C      -2.187358      5.042779      6.749228
  N      -3.353399      4.482627      6.086612
  H       0.193961      0.699478      5.669909
  H      -0.855403      0.057969      6.944201
  H      -0.158267      2.994742      6.327478
  H       0.150261      2.103965      7.845479
  H      -2.390545      6.063561      7.124719
  H      -1.318105      5.143693      6.068350
  H      -2.593364      4.256630      8.706289
  H      -0.847589      4.373137      8.355503
  H      -4.344700      1.114017      9.183731
  H      -4.293593      2.878805      8.946354
  H      -2.121675      0.806243      8.356284
  H      -1.998313      2.140092      9.543164
  C      -4.286325     -5.524136      1.373971
  C      -3.582076     -4.348750      2.013246
  O      -2.388898     -4.418376      2.298162
  C      -4.371682     -3.110569      2.292670
  C      -5.704661     -2.946405      1.871136
  C      -6.363376     -1.744048      2.148993
  C      -5.710156     -0.737631      2.836153
  F      -6.405252      0.403908      3.082586
  C      -4.370653     -0.852619      3.307386
  C      -3.671170      0.134414      4.064247
  O      -4.181725      1.309386      4.353688
  C      -2.305231     -0.132002      4.644204
  C      -3.742090     -2.087716      2.999851
  C      -4.671773     11.439916      0.778367
  C      -3.900557     10.328131      1.454395
  O      -2.695967     10.191385      1.265649
  C      -4.644376      9.396082      2.361188
  C      -6.022777      9.525831      2.611349
  C      -6.665398      8.630978      3.462563
  C      -5.929822      7.614191      4.059437
  F      -6.609732      6.766971      4.872989
  C      -4.550441      7.438989      3.845313
  C      -3.679495      6.371799      4.440688
  O      -2.503083      6.285504      4.075097
  C      -4.253380      5.420312      5.489875
  C      -3.940263      8.360347      2.978728
  C      -6.923296     -6.070222      4.252724
  C      -5.989546     -5.045989      4.861526
  O      -4.798353     -5.299585      5.013931
  C      -6.555785     -3.726318      5.272976
  C      -7.902283     -3.395362      5.045535
  C      -8.395775     -2.155809      5.435278
  C      -7.536071     -1.250382      6.045222
  F      -8.072121     -0.065059      6.431388
  C      -6.181758     -1.526892      6.294821
  C      -5.198792     -0.583190      6.922837
  O      -4.142298     -1.014697      7.379041
  C      -5.520295      0.913847      6.936069
  C      -5.722595     -2.791680      5.894098
  H      -3.553122     -6.310800      1.166671
  H      -5.052600     -5.917101      2.058346
  H      -4.793310     -5.233994      0.442441
  H      -6.226999     -3.731702      1.326874
  H      -7.395781     -1.576791      1.839771
  H      -1.578906     -0.404844      3.848589
  H      -2.360684     -1.012726      5.320831
  H      -2.716233     -2.269849      3.318113
  H      -5.139614     12.099748      1.524761
  H      -5.481927     11.029664      0.156735
  H      -3.988303     12.022555      0.152286
  H      -6.602003     10.322150      2.144632
  H      -7.732799      8.704173      3.671220
  H      -4.732885      6.062225      6.261826
  H      -5.094204      4.877007      5.019886
  H      -2.872135      8.252741      2.786521
  H      -7.737952     -6.315089      4.951078
  H      -6.354912     -6.977751      4.023198
  H      -7.389653     -5.685754      3.333235
  H      -8.573616     -4.102516      4.559458
  H      -9.437420     -1.875392      5.278735
  H      -6.292128      1.077175      7.713997
  H      -5.996015      1.172035      5.979727
  H      -4.675892     -3.042155      6.069362
  N      -2.242776      3.397462      3.708893
  H      -1.476113      2.843322      3.322004
  H      -1.929249      4.363207      3.867967
  H      -2.961717      3.458482      2.983371
90
Coordinates from ORCA-job orca E -6508.104701639866
  N      -1.905192      1.054318      5.384147
  Mo     -3.252529      2.472159      5.721722
  N      -4.376858      1.745804      7.169266
  C      -3.933593      1.889938      8.550759
  C      -2.415798      1.829386      8.566191
  N      -1.885566      2.716149      7.484924
  C      -0.561424      2.244369      6.990166
  C      -0.732721      0.935464      6.219607
  C      -1.855107      4.139481      7.933782
  C      -2.215280      5.054004      6.770417
  N      -3.376103      4.487880      6.103123
  H       0.187764      0.745961      5.631747
  H      -0.828082      0.078583      6.920173
  H      -0.178665      3.029965      6.322532
  H       0.145495      2.128648      7.831268
  H      -2.429249      6.067333      7.161020
  H      -1.347803      5.172416      6.090936
  H      -2.612575      4.245452      8.721500
  H      -0.868714      4.377346      8.367209
  H      -4.328683      1.084844      9.191122
  H      -4.292077      2.852464      8.970661
  H      -2.111902      0.800572      8.340220
  H      -1.981538      2.124789      9.537131
  C      -4.299807     -5.506316      1.348184
  C      -3.597126     -4.336146      2.000385
  O      -2.401455     -4.403469      2.276255
  C      -4.389002     -3.102339      2.292579
  C      -5.724512     -2.940191      1.877067
  C      -6.387490     -1.743357      2.169790
  C      -5.735614     -0.739508      2.861537
  F      -6.436544      0.394815      3.125185
  C      -4.391945     -0.850144      3.322071
  C      -3.691818      0.138404      4.077830
  O      -4.207393      1.311281      4.370011
  C      -2.322119     -0.122639      4.651737
  C      -3.760038     -2.081068      3.003369
  C      -4.630776     11.447843      0.768829
  C      -3.867758     10.334234      1.451225
  O      -2.662139     10.193867      1.269940
  C      -4.620875      9.404554      2.352107
  C      -6.000928      9.537931      2.593052
  C      -6.651152      8.643484      3.438993
  C      -5.923006      7.623532      4.039475
  F      -6.611213      6.776878      4.846655
  C      -4.542559      7.443831      3.834810
  C      -3.679852      6.371256      4.426706
  O      -2.498197      6.288654      4.070989
  C      -4.260765      5.422237      5.473585
  C      -3.924142      8.365716      2.973246
  C      -6.894147     -6.083542      4.245271
  C      -5.962257     -5.057735      4.855967
  O      -4.771251     -5.309819      5.013721
  C      -6.534890     -3.743599      5.278075
  C      -7.884342     -3.419407      5.058797
  C      -8.383407     -2.183900      5.455525
  C      -7.524907     -1.275953      6.063381
  F      -8.064058     -0.093967      6.454832
  C      -6.168406     -1.546582      6.306611
  C      -5.188439     -0.596910      6.928520
  O      -4.126772     -1.021466      7.380645
  C      -5.523182      0.898009      6.955741
  C      -5.703610     -2.807194      5.899589
  H      -3.566624     -6.292725      1.139489
  H      -5.073561     -5.902969      2.022348
  H      -4.799252     -5.207574      0.414935
  H      -6.245768     -3.723282      1.328543
  H      -7.422831     -1.579015      1.868347
  H      -1.597707     -0.399251      3.856235
  H      -2.374924     -0.999361      5.334030
  H      -2.731342     -2.260115      3.314600
  H      -5.100992     12.110902      1.511189
  H      -5.439166     11.040352      0.142774
  H      -3.940236     12.026240      0.146374
  H      -6.575954     10.336048      2.123726
  H      -7.719955      8.719272      3.640547
  H      -4.749307      6.076444      6.230146
  H      -5.097805      4.874128      5.001826
  H      -2.855068      8.255875      2.787196
  H      -7.710605     -6.331604      4.940496
  H      -6.323550     -6.989554      4.014944
  H      -7.358681     -5.696621      3.325775
  H      -8.553983     -4.128914      4.573553
  H      -9.427469     -1.908862      5.304972
  H      -6.289859      1.054778      7.739786
  H      -6.008250      1.157201      6.004109
  H      -4.654447     -3.052484      6.067687
  N      -2.272945      3.389813      3.712440
  H      -1.479819      2.842165      3.372642
  H      -1.992691      4.372734      3.832533
  H      -2.976522      3.382622      2.968988
90
Coordinates from ORCA-job orca E -6508.104899819317
  N      -1.924136      1.073086      5.381257
  Mo     -3.279935      2.477410      5.743769
  N      -4.380961      1.727729      7.200421
  C      -3.919683      1.864071      8.577077
  C      -2.401230      1.821343      8.571291
  N      -1.895501      2.723855      7.490952
  C      -0.572735      2.270535      6.975339
  C      -0.740025      0.963022      6.201498
  C      -1.872369      4.143429      7.952517
  C      -2.248869      5.064574      6.801233
  N      -3.409597      4.494005      6.133706
  H       0.175117      0.786074      5.601440
  H      -0.815486      0.103033      6.900780
  H      -0.207386      3.063089      6.306316
  H       0.147350      2.158701      7.805746
  H      -2.471903      6.069825      7.208452
  H      -1.387320      5.203378      6.118410
  H      -2.623561      4.237332      8.747792
  H      -0.884080      4.386186      8.378927
  H      -4.297122      1.049770      9.216235
  H      -4.281425      2.818668      9.012390
  H      -2.088539      0.797869      8.333198
  H      -1.957036      2.113719      9.538667
  C      -4.306935     -5.463108      1.290164
  C      -3.608451     -4.296326      1.955111
  O      -2.414860     -4.365992      2.239402
  C      -4.407437     -3.072824      2.270443
  C      -5.746512     -2.914974      1.865067
  C      -6.417643     -1.728893      2.183035
  C      -5.769269     -0.730705      2.885962
  F      -6.480638      0.391184      3.175765
  C      -4.420472     -0.835105      3.332452
  C      -3.722201      0.151240      4.094013
  O      -4.241951      1.319821      4.396547
  C      -2.346297     -0.106149      4.655198
  C      -3.781984     -2.057071      2.992999
  C      -4.578162     11.424046      0.731181
  C      -3.824007     10.314585      1.429925
  O      -2.616585     10.171327      1.262715
  C      -4.588122      9.394198      2.331337
  C      -5.970781      9.531580      2.555530
  C      -6.631839      8.645341      3.401298
  C      -5.912380      7.629227      4.018435
  F      -6.611656      6.790477      4.823126
  C      -4.528942      7.445916      3.831847
  C      -3.677683      6.375196      4.439254
  O      -2.491109      6.287068      4.097086
  C      -4.275692      5.429745      5.477383
  C      -3.899521      8.359898      2.968957
  C      -6.863145     -6.102756      4.244322
  C      -5.935614     -5.077883      4.864671
  O      -4.740065     -5.317975      5.005284
  C      -6.514531     -3.768159      5.293321
  C      -7.866315     -3.448132      5.079692
  C      -8.369356     -2.216263      5.482439
  C      -7.511945     -1.306238      6.090025
  F      -8.055367     -0.128675      6.487549
  C      -6.154022     -1.573471      6.328184
  C      -5.175376     -0.622979      6.951655
  O      -4.105803     -1.044184      7.389062
  C      -5.520403      0.869737      6.995221
  C      -5.685033     -2.830341      5.915338
  H      -3.572346     -6.248433      1.082539
  H      -5.088124     -5.863818      1.953555
  H      -4.797976     -5.157489      0.354592
  H      -6.264290     -3.693234      1.306418
  H      -7.456837     -1.568162      1.892755
  H      -1.630117     -0.385632      3.853495
  H      -2.391709     -0.981502      5.339842
  H      -2.749989     -2.232328      3.295928
  H      -5.054718     12.094124      1.463262
  H      -5.381429     11.013293      0.100501
  H      -3.879950     11.995874      0.111026
  H      -6.539515     10.326156      2.072596
  H      -7.702862      8.724108      3.590119
  H      -4.775575      6.089071      6.221767
  H      -5.108268      4.884085      4.994976
  H      -2.828502      8.247684      2.795719
  H      -7.675948     -6.366255      4.937898
  H      -6.287664     -7.001652      3.998416
  H      -7.333440     -5.704742      3.332180
  H      -8.535131     -4.159476      4.595617
  H      -9.415374     -1.945610      5.337316
  H      -6.279983      1.012302      7.788960
  H      -6.021105      1.131874      6.052326
  H      -4.634894     -3.073094      6.081057
  N      -2.326343      3.399946      3.724140
  H      -1.503286      2.876611      3.418496
  H      -2.089172      4.397321      3.818835
  H      -3.014320      3.330735      2.969403
90
Coordinates from ORCA-job orca E -6508.104904785978
  N      -1.913504      1.066185      5.398651
  Mo     -3.265731      2.475479      5.740135
  N      -4.375942      1.735198      7.193501
  C      -3.913824      1.861352      8.571979
  C      -2.395514      1.818611      8.565507
  N      -1.889561      2.724211      7.487563
  C      -0.560518      2.277497      6.981207
  C      -0.717154      0.970654      6.201872
  C      -1.871867      4.144244      7.953838
  C      -2.235378      5.066394      6.798858
  N      -3.386334      4.492062      6.120486
  H       0.191369      0.811228      5.587168
  H      -0.769482      0.106120      6.897105
  H      -0.191567      3.074597      6.319899
  H       0.151712      2.164720      7.818171
  H      -2.466076      6.071356      7.203116
  H      -1.369247      5.204838      6.122912
  H      -2.632554      4.235318      8.740397
  H      -0.888999      4.385173      8.393086
  H      -4.290546      1.041507      9.204218
  H      -4.277417      2.811492      9.015022
  H      -2.082433      0.796448      8.323054
  H      -1.949934      2.107643      9.533110
  C      -4.301138     -5.473371      1.304522
  C      -3.596097     -4.307718      1.963555
  O      -2.400036     -4.376978      2.236787
  C      -4.390255     -3.080683      2.275940
  C      -5.727079     -2.917792      1.865181
  C      -6.395518     -1.730403      2.181579
  C      -5.747146     -0.735832      2.889356
  F      -6.458304      0.385289      3.182259
  C      -4.399691     -0.844400      3.339110
  C      -3.702719      0.141539      4.101656
  O      -4.222697      1.312008      4.395903
  C      -2.332460     -0.116327      4.675602
  C      -3.763487     -2.067542      3.000632
  C      -4.616045     11.426206      0.747548
  C      -3.857363     10.309471      1.429888
  O      -2.652509     10.163781      1.246695
  C      -4.613278      9.387381      2.335840
  C      -5.991833      9.531132      2.580957
  C      -6.644855      8.642668      3.430779
  C      -5.922354      7.619094      4.031120
  F      -6.615982      6.777577      4.838571
  C      -4.541748      7.429271      3.823824
  C      -3.686102      6.352505      4.410095
  O      -2.515674      6.236922      4.020909
  C      -4.265786      5.416483      5.466562
  C      -3.921270      8.345203      2.956091
  C      -6.886825     -6.075974      4.230046
  C      -5.964443     -5.061614      4.873973
  O      -4.774227     -5.312295      5.038522
  C      -6.539965     -3.747387      5.292453
  C      -7.887112     -3.417644      5.063598
  C      -8.384767     -2.180434      5.457061
  C      -7.526879     -1.274725      6.070314
  F      -8.063931     -0.090192      6.456029
  C      -6.173119     -1.551515      6.322196
  C      -5.191969     -0.606565      6.948066
  O      -4.121102     -1.032306      7.378198
  C      -5.524594      0.888982      6.988038
  C      -5.710050     -2.813494      5.919132
  H      -3.574217     -6.270119      1.114823
  H      -5.097616     -5.854975      1.960121
  H      -4.774268     -5.170674      0.358687
  H      -6.244201     -3.693163      1.302026
  H      -7.433127     -1.566352      1.888058
  H      -1.608051     -0.401483      3.883537
  H      -2.387544     -0.987077      5.365004
  H      -2.733110     -2.246132      3.307141
  H      -5.077759     12.095328      1.489700
  H      -5.431072     11.023329      0.127220
  H      -3.923927     11.997067      0.119865
  H      -6.563518     10.331556      2.111929
  H      -7.712593      8.725317      3.635099
  H      -4.754802      6.081855      6.212165
  H      -5.104149      4.862154      5.004500
  H      -2.853864      8.228793      2.765277
  H      -7.718989     -6.333241      4.902450
  H      -6.314721     -6.979901      3.995387
  H      -7.330209     -5.670050      3.307958
  H      -8.556219     -4.125314      4.574723
  H      -9.426966     -1.902494      5.299790
  H      -6.284809      1.042019      7.779099
  H      -6.020080      1.154140      6.043270
  H      -4.663436     -3.063283      6.095195
  N      -2.283227      3.364016      3.723373
  H      -1.442884      2.835219      3.480942
  H      -2.055338      4.366652      3.775087
  H      -2.941797      3.239006      2.950271
90
Coordinates from ORCA-job orca E -6508.105035336886
  N      -1.930516      1.063828      5.393945
  Mo     -3.285167      2.473159      5.742405
  N      -4.383351      1.729313      7.207853
  C      -3.913469      1.864677      8.582014
  C      -2.394466      1.832452      8.567995
  N      -1.897322      2.733894      7.483422
  C      -0.574159      2.283508      6.965461
  C      -0.738371      0.968521      6.202511
  C      -1.878396      4.154801      7.941535
  C      -2.250413      5.071408      6.785682
  N      -3.403230      4.493941      6.111570
  H       0.172322      0.795162      5.594501
  H      -0.798995      0.112959      6.908227
  H      -0.213521      3.071921      6.289209
  H       0.150493      2.180702      7.793244
  H      -2.483531      6.075824      7.189746
  H      -1.387931      5.214644      6.105343
  H      -2.635689      4.249519      8.731078
  H      -0.893818      4.399967      8.374498
  H      -4.280048      1.045180      9.220929
  H      -4.279493      2.813605      9.026168
  H      -2.075205      0.810439      8.333441
  H      -1.949503      2.130829      9.533212
  C      -4.308040     -5.455522      1.264032
  C      -3.615315     -4.304202      1.960786
  O      -2.417447     -4.368197      2.226872
  C      -4.413685     -3.081690      2.280157
  C      -5.751701     -2.921610      1.872987
  C      -6.423861     -1.738414      2.197029
  C      -5.776584     -0.744319      2.906918
  F      -6.492722      0.371960      3.207250
  C      -4.426798     -0.849025      3.350279
  C      -3.730442      0.137107      4.113427
  O      -4.248819      1.307854      4.407582
  C      -2.358468     -0.121465      4.682577
  C      -3.788399     -2.069285      3.007145
  C      -4.576289     11.456387      0.763178
  C      -3.822904     10.336937      1.446945
  O      -2.616121     10.193698      1.275789
  C      -4.587896      9.405897      2.336821
  C      -5.970003      9.544105      2.563515
  C      -6.632421      8.648917      3.398639
  C      -5.915111      7.623715      4.002716
  F      -6.617070      6.777085      4.796549
  C      -4.530989      7.439114      3.812948
  C      -3.682536      6.360749      4.407348
  O      -2.501520      6.259977      4.047708
  C      -4.276116      5.418779      5.449779
  C      -3.901015      8.362240      2.960073
  C      -6.848039     -6.102291      4.253366
  C      -5.925618     -5.070297      4.868148
  O      -4.735439     -5.315469      5.038793
  C      -6.511368     -3.762433      5.293372
  C      -7.860968     -3.440600      5.067185
  C      -8.365504     -2.207391      5.463108
  C      -7.513400     -1.297742      6.079560
  F      -8.058399     -0.117732      6.466648
  C      -6.158454     -1.567774      6.331521
  C      -5.181938     -0.619630      6.962464
  O      -4.114037     -1.042998      7.401998
  C      -5.524191      0.873377      7.005892
  C      -5.687748     -2.825668      5.924392
  H      -3.574946     -6.242965      1.059826
  H      -5.107782     -5.858685      1.902609
  H      -4.775386     -5.130581      0.322617
  H      -6.266842     -3.695861      1.306303
  H      -7.463148     -1.576215      1.908337
  H      -1.641806     -0.419225      3.887931
  H      -2.414039     -0.986458      5.379568
  H      -2.757198     -2.246127      3.311889
  H      -5.048725     12.119104      1.504342
  H      -5.382625     11.055588      0.130221
  H      -3.878545     12.033750      0.147711
  H      -6.536649     10.346133      2.091028
  H      -7.703003      8.727366      3.589475
  H      -4.781690      6.074823      6.192693
  H      -5.105201      4.865639      4.970126
  H      -2.830572      8.250043      2.783939
  H      -7.668985     -6.356055      4.940920
  H      -6.272393     -7.005264      4.023529
  H      -7.307555     -5.713272      3.331798
  H      -8.525920     -4.150891      4.576113
  H      -9.409231     -1.935033      5.305780
  H      -6.283772      1.014168      7.800578
  H      -6.027206      1.136739      6.064753
  H      -4.639764     -3.070029      6.100344
  N      -2.315019      3.356183      3.715707
  H      -1.454492      2.853557      3.487940
  H      -2.117950      4.365683      3.757772
  H      -2.961804      3.198331      2.938810
90
Coordinates from ORCA-job orca E -6508.105105592191
  N      -1.931963      1.057724      5.390470
  Mo     -3.286961      2.469728      5.731935
  N      -4.385352      1.731571      7.200693
  C      -3.917830      1.874403      8.574119
  C      -2.398697      1.842684      8.562681
  N      -1.899698      2.737820      7.474235
  C      -0.577356      2.283177      6.959012
  C      -0.741738      0.964948      6.201747
  C      -1.881250      4.160769      7.923207
  C      -2.253656      5.071225      6.762195
  N      -3.406919      4.490555      6.092755
  H       0.170401      0.788426      5.596769
  H      -0.804880      0.111943      6.910400
  H      -0.215724      3.067831      6.278917
  H       0.147229      2.183635      7.787247
  H      -2.486061      6.078503      7.158969
  H      -1.391606      5.209277      6.079896
  H      -2.639333      4.259846      8.711342
  H      -0.897001      4.408754      8.355378
  H      -4.284466      1.057963      9.217066
  H      -4.284954      2.825371      9.012971
  H      -2.078468      0.819501      8.334777
  H      -1.956910      2.146517      9.527671
  C      -4.308204     -5.477688      1.283820
  C      -3.613247     -4.318486      1.965040
  O      -2.421052     -4.390516      2.253375
  C      -4.413014     -3.096609      2.284537
  C      -5.750473     -2.936378      1.875663
  C      -6.421676     -1.751303      2.194525
  C      -5.774183     -0.755720      2.902360
  F      -6.487867      0.363868      3.195558
  C      -4.425673     -0.861238      3.349113
  C      -3.729839      0.127166      4.109845
  O      -4.248802      1.298131      4.401264
  C      -2.357631     -0.128656      4.679881
  C      -3.788078     -2.083388      3.010790
  C      -4.563703     11.488964      0.797600
  C      -3.815949     10.358320      1.468846
  O      -2.610115     10.210458      1.295950
  C      -4.585390      9.421513      2.348891
  C      -5.966446      9.564426      2.578205
  C      -6.632928      8.663755      3.404270
  C      -5.920244      7.628777      3.997141
  F      -6.625509      6.776816      4.782471
  C      -4.537822      7.439127      3.803563
  C      -3.694126      6.350506      4.387624
  O      -2.512300      6.252441      4.032160
  C      -4.285283      5.413487      5.436850
  C      -3.903602      8.367692      2.960391
  C      -6.837301     -6.098692      4.247721
  C      -5.921636     -5.072204      4.880957
  O      -4.728755     -5.310578      5.042241
  C      -6.509263     -3.764579      5.303002
  C      -7.858589     -3.444303      5.073754
  C      -8.364568     -2.211207      5.467887
  C      -7.514251     -1.299622      6.083680
  F      -8.060490     -0.119256      6.467954
  C      -6.159520     -1.567743      6.337665
  C      -5.183192     -0.616649      6.964359
  O      -4.120878     -1.039198      7.417363
  C      -5.526103      0.875906      6.999817
  C      -5.687762     -2.826249      5.933865
  H      -3.578187     -6.272175      1.096826
  H      -5.113803     -5.866664      1.923562
  H      -4.767346     -5.165106      0.334425
  H      -6.265424     -3.711251      1.309797
  H      -7.459895     -1.588306      1.902842
  H      -1.640688     -0.424979      3.884905
  H      -2.411192     -0.993619      5.377097
  H      -2.757326     -2.260232      3.316327
  H      -5.032114     12.145910      1.546318
  H      -5.372100     11.098983      0.160669
  H      -3.863590     12.069596      0.188063
  H      -6.528941     10.374596      2.114886
  H      -7.702915      8.745483      3.596573
  H      -4.788769      6.068784      6.181672
  H      -5.114886      4.858808      4.959762
  H      -2.833949      8.251298      2.782256
  H      -7.660117     -6.363638      4.928680
  H      -6.257613     -6.996653      4.009011
  H      -7.294162     -5.700060      3.329039
  H      -8.521998     -4.155425      4.582118
  H      -9.408130     -1.939658      5.308415
  H      -6.287959      1.019082      7.792159
  H      -6.026230      1.135285      6.056240
  H      -4.639502     -3.068648      6.110762
  N      -2.314526      3.346693      3.704153
  H      -1.450891      2.848901      3.478086
  H      -2.123275      4.357121      3.747098
  H      -2.959219      3.187454      2.925955
90
Coordinates from ORCA-job orca E -6508.105154184255
  N      -1.930355      1.058512      5.394968
  Mo     -3.284105      2.471366      5.738387
  N      -4.382119      1.731664      7.206750
  C      -3.914585      1.871387      8.580392
  C      -2.395491      1.839551      8.568527
  N      -1.896470      2.735767      7.481011
  C      -0.574657      2.280973      6.964787
  C      -0.740392      0.963410      6.206516
  C      -1.877893      4.158186      7.931668
  C      -2.248897      5.070989      6.771864
  N      -3.401369      4.491449      6.100246
  H       0.171726      0.786278      5.601633
  H      -0.804812      0.109765      6.914415
  H      -0.212867      3.066048      6.285227
  H       0.150268      2.180378      7.792638
  H      -2.482068      6.077641      7.169907
  H      -1.386360      5.210044      6.090461
  H      -2.637348      4.256279      8.718640
  H      -0.894200      4.405168      8.365899
  H      -4.280681      1.053067      9.221273
  H      -4.282059      2.821155      9.021643
  H      -2.075382      0.816590      8.339423
  H      -1.953868      2.142188      9.534010
  C      -4.313051     -5.464960      1.270606
  C      -3.617075     -4.310575      1.958990
  O      -2.424746     -4.384821      2.246376
  C      -4.414418     -3.087092      2.278670
  C      -5.750716     -2.923210      1.867397
  C      -6.420363     -1.737606      2.187546
  C      -5.772324     -0.744893      2.899012
  F      -6.484352      0.375277      3.193534
  C      -4.424783     -0.854059      3.348065
  C      -3.728596      0.131660      4.112056
  O      -4.246825      1.302431      4.406111
  C      -2.357118     -0.126628      4.682925
  C      -3.788673     -2.076543      3.008055
  C      -4.573272     11.471531      0.782026
  C      -3.823305     10.344578      1.457088
  O      -2.616663     10.200073      1.286782
  C      -4.590783      9.409062      2.340309
  C      -5.972424      9.548826      2.568425
  C      -6.636598      8.649506      3.398019
  C      -5.920918      7.619483      3.995949
  F      -6.623771      6.767915      4.784020
  C      -4.537925      7.433591      3.804184
  C      -3.690925      6.350864      4.394806
  O      -2.514214      6.242428      4.026044
  C      -4.281008      5.414159      5.445530
  C      -3.906208      8.359844      2.956658
  C      -6.839311     -6.093362      4.244125
  C      -5.922958     -5.067099      4.876701
  O      -4.729850     -5.305716      5.036764
  C      -6.510334     -3.760077      5.301165
  C      -7.860414     -3.440523      5.075274
  C      -8.366586     -2.208620      5.473108
  C      -7.515723     -1.297218      6.088355
  F      -8.062523     -0.118738      6.477655
  C      -6.160193     -1.564558      6.339075
  C      -5.183780     -0.615150      6.968302
  O      -4.119114     -1.038538      7.415097
  C      -5.524493      0.877961      7.004760
  C      -5.688273     -2.821934      5.931583
  H      -3.585478     -6.262235      1.085750
  H      -5.124777     -5.852005      1.903821
  H      -4.764372     -5.147206      0.319047
  H      -6.266171     -3.696002      1.299006
  H      -7.457843     -1.572129      1.894458
  H      -1.639694     -0.423169      3.888513
  H      -2.412943     -0.992146      5.379413
  H      -2.758874     -2.256329      3.315328
  H      -5.043980     12.129286      1.528681
  H      -5.379994     11.077823      0.145173
  H      -3.874043     12.052435      0.171665
  H      -6.537196     10.355268      2.101269
  H      -7.707077      8.728441      3.589062
  H      -4.784299      6.069023      6.190628
  H      -5.110704      4.858991      4.968730
  H      -2.836070      8.245749      2.779611
  H      -7.660372     -6.359630      4.926800
  H      -6.259496     -6.990670      4.003161
  H      -7.298587     -5.694231      3.326872
  H      -8.524492     -4.151536      4.584305
  H      -9.410953     -1.937917      5.317069
  H      -6.285397      1.020864      7.798051
  H      -6.024682      1.139623      6.061898
  H      -4.639587     -3.064061      6.106601
  N      -2.305982      3.347923      3.713465
  H      -1.436771      2.854956      3.498624
  H      -2.122166      4.360080      3.752763
  H      -2.942816      3.178520      2.930950
90
Coordinates from ORCA-job orca E -6508.105177554107
  N      -1.930379      1.056346      5.389474
  Mo     -3.284679      2.471302      5.726768
  N      -4.383760      1.733277      7.196342
  C      -3.918035      1.875761      8.569925
  C      -2.398878      1.845227      8.560269
  N      -1.898543      2.738739      7.471397
  C      -0.576478      2.282778      6.957430
  C      -0.741176      0.963461      6.202043
  C      -1.881320      4.161920      7.918888
  C      -2.251167      5.072725      6.757149
  N      -3.401812      4.490608      6.085006
  H       0.171713      0.785448      5.598493
  H      -0.805956      0.111192      6.911588
  H      -0.214295      3.066322      6.276283
  H       0.147989      2.184365      7.785981
  H      -2.486222      6.079835      7.152832
  H      -1.387952      5.211189      6.076482
  H      -2.642896      4.261033      8.703715
  H      -0.898788      4.410168      8.355076
  H      -4.283465      1.057680      9.211584
  H      -4.287310      2.825591      9.009629
  H      -2.077328      0.821997      8.334668
  H      -1.959653      2.150807      9.525940
  C      -4.312327     -5.479714      1.285460
  C      -3.615535     -4.323769      1.970273
  O      -2.421887     -4.395393      2.252700
  C      -4.412079     -3.098347      2.284280
  C      -5.748935     -2.936798      1.873951
  C      -6.418892     -1.750291      2.189765
  C      -5.770552     -0.754336      2.896558
  F      -6.483024      0.366109      3.188223
  C      -4.422565     -0.861362      3.344885
  C      -3.726882      0.126668      4.106386
  O      -4.245195      1.298526      4.396254
  C      -2.356421     -0.130376      4.680025
  C      -3.785913     -2.084545      3.008685
  C      -4.567520     11.504377      0.815438
  C      -3.820277     10.369023      1.479293
  O      -2.614197     10.222555      1.306623
  C      -4.589997      9.426508      2.353036
  C      -5.971251      9.567401      2.583073
  C      -6.637403      8.661694      3.404189
  C      -5.923851      7.624518      3.992159
  F      -6.628045      6.766469      4.772125
  C      -4.541517      7.437325      3.798010
  C      -3.697002      6.347638      4.379392
  O      -2.523409      6.233724      4.002860
  C      -4.285011      5.411097      5.431915
  C      -3.907785      8.369606      2.958796
  C      -6.841343     -6.105903      4.266253
  C      -5.925644     -5.077901      4.896692
  O      -4.734979     -5.320440      5.068840
  C      -6.511273     -3.765679      5.307296
  C      -7.858880     -3.443423      5.070321
  C      -8.363492     -2.207238      5.456998
  C      -7.513921     -1.294718      6.072136
  F      -8.058857     -0.111298      6.449482
  C      -6.160829     -1.564443      6.333269
  C      -5.186201     -0.614404      6.963750
  O      -4.121500     -1.036816      7.411487
  C      -5.526105      0.879050      6.995174
  C      -5.690274     -2.825758      5.936318
  H      -3.586999     -6.281075      1.109733
  H      -5.130206     -5.859355      1.915051
  H      -4.755597     -5.165254      0.328912
  H      -6.264764     -3.712465      1.309788
  H      -7.456919     -1.586756      1.897550
  H      -1.637937     -0.428815      3.887255
  H      -2.413428     -0.994146      5.378610
  H      -2.755987     -2.263033      3.316378
  H      -5.035933     12.156071      1.568801
  H      -5.375553     11.119151      0.175068
  H      -3.867058     12.089392      0.210440
  H      -6.534092     10.379766      2.123947
  H      -7.707699      8.741073      3.596016
  H      -4.789988      6.063832      6.177342
  H      -5.112631      4.853360      4.954333
  H      -2.838048      8.254345      2.780120
  H      -7.667402     -6.364018      4.946060
  H      -6.263000     -7.006940      4.035951
  H      -7.293838     -5.712702      3.343105
  H      -8.522139     -4.155556      4.579913
  H      -9.405914     -1.934077      5.292412
  H      -6.287168      1.023449      7.788084
  H      -6.025955      1.138690      6.051545
  H      -4.643599     -3.070062      6.120041
  N      -2.296921      3.339847      3.705129
  H      -1.418865      2.854951      3.508817
  H      -2.124631      4.354417      3.737015
  H      -2.919970      3.153646      2.915389
90
Coordinates from ORCA-job orca E -6508.105199963137
  N      -1.933158      1.051182      5.387592
  Mo     -3.286620      2.469596      5.718600
  N      -4.385306      1.736762      7.191609
  C      -3.921146      1.883338      8.564897
  C      -2.401779      1.853838      8.556684
  N      -1.900661      2.742137      7.464169
  C      -0.579491      2.282785      6.951644
  C      -0.745725      0.959868      6.202923
  C      -1.884251      4.167081      7.905111
  C      -2.252292      5.074111      6.739558
  N      -3.400938      4.488895      6.066939
  H       0.168218      0.776718      5.602407
  H      -0.813745      0.111398      6.916823
  H      -0.217267      3.062737      6.266329
  H       0.145799      2.187936      7.779961
  H      -2.488740      6.082374      7.131229
  H      -1.387895      5.210416      6.059792
  H      -2.648501      4.269169      8.687021
  H      -0.903084      4.417353      8.343409
  H      -4.285622      1.066228      9.208385
  H      -4.291944      2.833834      9.002035
  H      -2.079412      0.829674      8.336563
  H      -1.964364      2.164237      9.521676
  C      -4.317104     -5.488116      1.286843
  C      -3.621076     -4.336183      1.979353
  O      -2.429317     -4.411662      2.268631
  C      -4.415603     -3.108195      2.288528
  C      -5.750254     -2.943899      1.872157
  C      -6.418605     -1.755151      2.182830
  C      -5.770705     -0.759516      2.890545
  F      -6.480977      0.363630      3.176457
  C      -4.424841     -0.869250      3.344746
  C      -3.729284      0.119460      4.105698
  O      -4.246700      1.292687      4.391978
  C      -2.360279     -0.137879      4.682866
  C      -3.789706     -2.094578      3.013559
  C      -4.558866     11.540190      0.852455
  C      -3.814382     10.396376      1.504709
  O      -2.606900     10.254153      1.338317
  C      -4.587988      9.441739      2.361711
  C      -5.970890      9.577266      2.585255
  C      -6.640279      8.660675      3.391665
  C      -5.927980      7.618472      3.972251
  F      -6.634409      6.749144      4.737664
  C      -4.544461      7.436401      3.783943
  C      -3.701335      6.342500      4.359599
  O      -2.529792      6.225636      3.978148
  C      -4.287707      5.406019      5.413855
  C      -3.907393      8.378829      2.958864
  C      -6.831780     -6.109838      4.276380
  C      -5.917653     -5.077833      4.902569
  O      -4.726028     -5.316894      5.073445
  C      -6.506757     -3.767522      5.314557
  C      -7.856403     -3.450572      5.082076
  C      -8.364277     -2.216096      5.470171
  C      -7.516127     -1.300068      6.081847
  F      -8.064328     -0.118652      6.460878
  C      -6.161098     -1.564454      6.338593
  C      -5.187546     -0.611048      6.965656
  O      -4.123159     -1.031209      7.416226
  C      -5.528032      0.882477      6.991473
  C      -5.687386     -2.824336      5.940693
  H      -3.596638     -6.297059      1.126364
  H      -5.150941     -5.857766      1.901205
  H      -4.738499     -5.171432      0.321007
  H      -6.265655     -3.719273      1.307098
  H      -7.454967     -1.589559      1.885803
  H      -1.640881     -0.441109      3.892764
  H      -2.420710     -0.998678      5.385003
  H      -2.761276     -2.275003      3.325270
  H      -5.032450     12.180447      1.612424
  H      -5.362387     11.163417      0.201407
  H      -3.855394     12.134732      0.260311
  H      -6.532509     10.394012      2.132313
  H      -7.712040      8.735370      3.577314
  H      -4.797397      6.056264      6.157864
  H      -5.111265      4.844254      4.933366
  H      -2.836454      8.267191      2.785014
  H      -7.652638     -6.371975      4.961048
  H      -6.250324     -7.008079      4.042914
  H      -7.291571     -5.719035      3.355858
  H      -8.518660     -4.165250      4.594012
  H      -9.408314     -1.946828      5.309128
  H      -6.289341      1.028589      7.783924
  H      -6.027006      1.139653      6.046847
  H      -4.639114     -3.064487      6.121033
  N      -2.285155      3.326600      3.699717
  H      -1.396329      2.852750      3.526532
  H      -2.129144      4.344257      3.721947
  H      -2.891011      3.118464      2.902109
90
Coordinates from ORCA-job orca E -6508.105212827677
  N      -1.934936      1.049501      5.380809
  Mo     -3.288533      2.469674      5.709125
  N      -4.386388      1.738219      7.183851
  C      -3.924083      1.888920      8.557061
  C      -2.404659      1.860023      8.550616
  N      -1.902629      2.744878      7.455804
  C      -0.582113      2.283064      6.944145
  C      -0.749616      0.958288      6.199292
  C      -1.886387      4.171078      7.892345
  C      -2.255661      5.075336      6.725013
  N      -3.404409      4.487943      6.054152
  H       0.165595      0.771127      5.601891
  H      -0.821208      0.112358      6.915926
  H      -0.219639      3.060791      6.256397
  H       0.143612      2.190106      7.772313
  H      -2.492063      6.084311      7.114659
  H      -1.391414      5.210239      6.044659
  H      -2.650589      4.275094      8.674058
  H      -0.905259      4.423162      8.329722
  H      -4.288743      1.073513      9.202611
  H      -4.295567      2.840691      8.990885
  H      -2.081970      0.835217      8.334038
  H      -1.968375      2.173619      9.515080
  C      -4.322759     -5.501834      1.302698
  C      -3.626398     -4.348591      1.992932
  O      -2.435551     -4.425166      2.285587
  C      -4.420121     -3.118927      2.297573
  C      -5.754873     -2.955835      1.881147
  C      -6.422513     -1.765317      2.186793
  C      -5.773734     -0.766696      2.889488
  F      -6.482828      0.358339      3.170445
  C      -4.427862     -0.875265      3.343906
  C      -3.731371      0.115608      4.101278
  O      -4.247714      1.290271      4.384178
  C      -2.362520     -0.141124      4.679169
  C      -3.793481     -2.102459      3.018029
  C      -4.549654     11.571959      0.886515
  C      -3.807858     10.421327      1.529686
  O      -2.599832     10.280310      1.366182
  C      -4.585048      9.457122      2.372562
  C      -5.969134      9.589119      2.590863
  C      -6.641794      8.664109      3.384883
  C      -5.931141      7.617235      3.959022
  F      -6.639656      6.739331      4.712566
  C      -4.546729      7.438470      3.775468
  C      -3.705644      6.340390      4.346326
  O      -2.535693      6.220367      3.961388
  C      -4.292218      5.403710      5.400565
  C      -3.906302      8.388750      2.962216
  C      -6.825111     -6.117663      4.285848
  C      -5.912426     -5.085165      4.913471
  O      -4.721825     -5.325264      5.090123
  C      -6.501439     -3.772670      5.318526
  C      -7.849883     -3.455132      5.079698
  C      -8.358098     -2.218981      5.462118
  C      -7.511329     -1.302024      6.074136
  F      -8.059514     -0.118624      6.447302
  C      -6.157547     -1.566808      6.336859
  C      -5.185569     -0.611295      6.962815
  O      -4.124110     -1.030187      7.421407
  C      -5.527873      0.881900      6.984863
  C      -5.683545     -2.828417      5.944946
  H      -3.605868     -6.316561      1.155998
  H      -5.166559     -5.861626      1.909065
  H      -4.730172     -5.189080      0.329490
  H      -6.271131     -3.733606      1.320205
  H      -7.458919     -1.600656      1.889376
  H      -1.643275     -0.446126      3.889549
  H      -2.423119     -1.000509      5.383006
  H      -2.765056     -2.282171      3.330110
  H      -5.027084     12.203428      1.651422
  H      -5.349825     11.202421      0.227190
  H      -3.843543     12.173401      0.304548
  H      -6.529221     10.409887      2.143278
  H      -7.714604      8.735939      3.565529
  H      -4.805531      6.052317      6.143266
  H      -5.112432      4.839760      4.916655
  H      -2.834485      8.279533      2.792328
  H      -7.646941     -6.379230      4.969614
  H      -6.242906     -7.015997      4.054624
  H      -7.283676     -5.728273      3.364172
  H      -8.510993     -4.170618      4.591286
  H      -9.401217     -1.949067      5.296268
  H      -6.289667      1.028910      7.776699
  H      -6.026486      1.136165      6.039269
  H      -4.636166     -3.068816      6.130096
  N      -2.278149      3.323965      3.693895
  H      -1.385076      2.855423      3.528821
  H      -2.129878      4.342751      3.717104
  H      -2.875697      3.111257      2.891251
90
Coordinates from ORCA-job orca E -6508.105221743342
  N      -1.936072      1.047973      5.375025
  Mo     -3.290282      2.468764      5.699537
  N      -4.388579      1.739555      7.174656
  C      -3.927903      1.893908      8.548162
  C      -2.408517      1.864881      8.543414
  N      -1.905823      2.747429      7.446946
  C      -0.584695      2.284883      6.937366
  C      -0.751502      0.958690      6.194924
  C      -1.890399      4.174811      7.880447
  C      -2.260116      5.076238      6.711024
  N      -3.408406      4.486653      6.041033
  H       0.164289      0.770129      5.598850
  H      -0.823667      0.114514      6.913564
  H      -0.221718      3.061574      6.248710
  H       0.140185      2.193448      7.766425
  H      -2.496543      6.085912      7.098757
  H      -1.395519      5.209728      6.030817
  H      -2.654396      4.280074      8.662190
  H      -0.909380      4.428552      8.317038
  H      -4.293775      1.080589      9.195571
  H      -4.299467      2.847239      8.978466
  H      -2.086028      0.839548      8.328964
  H      -1.972268      2.180592      9.507160
  C      -4.323271     -5.514133      1.313902
  C      -3.626415     -4.358681      2.000043
  O      -2.435904     -4.435223      2.294058
  C      -4.419778     -3.127927      2.300794
  C      -5.754073     -2.965557      1.882661
  C      -6.421481     -1.773903      2.184450
  C      -5.773116     -0.773696      2.885120
  F      -6.481905      0.352437      3.162551
  C      -4.427782     -0.881434      3.341166
  C      -3.731303      0.111150      4.096356
  O      -4.247467      1.286795      4.375678
  C      -2.362796     -0.144372      4.675719
  C      -3.793439     -2.109661      3.018991
  C      -4.538626     11.605005      0.922980
  C      -3.799577     10.447388      1.556680
  O      -2.590222     10.310207      1.399655
  C      -4.580676      9.472691      2.383557
  C      -5.966478      9.599639      2.593677
  C      -6.642891      8.665199      3.373320
  C      -5.934025      7.614116      3.941878
  F      -6.645549      6.726888      4.681433
  C      -4.547992      7.439875      3.765838
  C      -3.708826      6.338040      4.331643
  O      -2.537659      6.220380      3.949383
  C      -4.296086      5.400545      5.384626
  C      -3.903769      8.399414      2.966531
  C      -6.823454     -6.126878      4.301251
  C      -5.911190     -5.091732      4.925374
  O      -4.719812     -5.329500      5.099787
  C      -6.501181     -3.778752      5.327599
  C      -7.850463     -3.463735      5.090245
  C      -8.359893     -2.227141      5.469756
  C      -7.513139     -1.307231      6.077338
  F      -8.062492     -0.123651      6.448329
  C      -6.158475     -1.569445      6.338435
  C      -5.186885     -0.610916      6.960095
  O      -4.123382     -1.027093      7.416592
  C      -5.529810      0.882266      6.977633
  C      -5.683347     -2.831540      5.949646
  H      -3.608980     -6.333044      1.178176
  H      -5.174015     -5.865800      1.915224
  H      -4.721044     -5.206108      0.335105
  H      -6.270233     -3.744758      1.323630
  H      -7.457531     -1.609802      1.885437
  H      -1.642752     -0.450433      3.887187
  H      -2.423436     -1.002605      5.380902
  H      -2.765265     -2.288730      3.332226
  H      -5.022663     12.225831      1.692440
  H      -5.333478     11.243057      0.253062
  H      -3.829175     12.214884      0.353983
  H      -6.525151     10.423925      2.150779
  H      -7.717133      8.733106      3.546832
  H      -4.813187      6.048642      6.125150
  H      -5.113080      4.834209      4.897974
  H      -2.830651      8.294086      2.802606
  H      -7.641675     -6.390593      4.988543
  H      -6.239496     -7.023627      4.068286
  H      -7.287028     -5.739197      3.381399
  H      -8.511472     -4.181652      4.605262
  H      -9.403722     -1.959279      5.305147
  H      -6.291636      1.032135      7.768791
  H      -6.028198      1.133425      6.031044
  H      -4.635363     -3.069999      6.133841
  N      -2.272021      3.320844      3.687033
  H      -1.378282      2.852489      3.525297
  H      -2.125566      4.339839      3.711371
  H      -2.865959      3.108478      2.881597
90
Coordinates from ORCA-job orca E -6508.105227530756
  N      -1.936887      1.047616      5.373408
  Mo     -3.291283      2.468208      5.697021
  N      -4.389500      1.739616      7.171924
  C      -3.928716      1.895420      8.545562
  C      -2.409383      1.866363      8.540651
  N      -1.907243      2.748672      7.443533
  C      -0.585574      2.286440      6.934504
  C      -0.751882      0.959674      6.192835
  C      -1.892012      4.176532      7.876495
  C      -2.262866      5.076845      6.706571
  N      -3.411210      4.486300      6.037332
  H       0.163621      0.771108      5.596342
  H      -0.823066      0.116164      6.912334
  H      -0.222574      3.062986      6.245729
  H       0.138943      2.195585      7.763918
  H      -2.499400      6.086594      7.094142
  H      -1.398658      5.210414      6.025990
  H      -2.654776      4.281923      8.659409
  H      -0.910527      4.430915      8.311540
  H      -4.295259      1.083201      9.193875
  H      -4.299902      2.849513      8.974454
  H      -2.087220      0.840937      8.326163
  H      -1.972047      2.182455      9.503735
  C      -4.325213     -5.517203      1.316710
  C      -3.628061     -4.361054      2.001414
  O      -2.436928     -4.436706      2.293122
  C      -4.421476     -3.130530      2.302594
  C      -5.756045     -2.968618      1.885226
  C      -6.423378     -1.776935      2.187047
  C      -5.774752     -0.776403      2.886906
  F      -6.483863      0.349517      3.164839
  C      -4.429023     -0.883446      3.341789
  C      -3.732077      0.109716      4.095780
  O      -4.247925      1.285793      4.373615
  C      -2.363587     -0.145491      4.675316
  C      -3.794804     -2.111792      3.019837
  C      -4.533446     11.617824      0.937937
  C      -3.795268     10.458171      1.568980
  O      -2.585060     10.323740      1.416125
  C      -4.578217      9.477926      2.387398
  C      -5.965304      9.600795      2.591014
  C      -6.643550      8.661407      3.363092
  C      -5.935135      7.609645      3.930881
  F      -6.648247      6.717710      4.663081
  C      -4.547653      7.439224      3.761074
  C      -3.708943      6.337133      4.326338
  O      -2.537052      6.220335      3.945514
  C      -4.297618      5.398839      5.377339
  C      -3.901713      8.403605      2.968942
  C      -6.820985     -6.129702      4.305005
  C      -5.909278     -5.093660      4.928544
  O      -4.717763     -5.330526      5.102881
  C      -6.500218     -3.781119      5.330883
  C      -7.849806     -3.466996      5.094233
  C      -8.359978     -2.230543      5.473164
  C      -7.513319     -1.309733      6.079672
  F      -8.063143     -0.126190      6.449868
  C      -6.158342     -1.571116      6.340057
  C      -5.186826     -0.611275      6.959722
  O      -4.122794     -1.026389      7.416103
  C      -5.530456      0.881698      6.976350
  C      -5.682556     -2.833122      5.952028
  H      -3.611933     -6.337647      1.185082
  H      -5.178984     -5.865747      1.915446
  H      -4.718908     -5.210743      0.335704
  H      -6.272390     -3.748056      1.326711
  H      -7.459654     -1.613186      1.888643
  H      -1.643494     -0.452450      3.887141
  H      -2.424222     -1.003070      5.381242
  H      -2.766343     -2.290410      3.332380
  H      -5.022993     12.233309      1.708184
  H      -5.324056     11.258313      0.261690
  H      -3.822157     12.232254      0.376180
  H      -6.523655     10.425684      2.148856
  H      -7.718819      8.726170      3.531286
  H      -4.817345      6.047189      6.116005
  H      -5.112807      4.831237      4.889263
  H      -2.827581      8.301656      2.809694
  H      -7.637508     -6.395455      4.993547
  H      -6.235987     -7.025302      4.070275
  H      -7.286862     -5.741734      3.386464
  H      -8.510643     -4.185692      4.610127
  H      -9.404062     -1.963564      5.308908
  H      -6.292320      1.032833      7.767160
  H      -6.029052      1.131502      6.029453
  H      -4.634337     -3.070852      6.135696
  N      -2.269218      3.320494      3.685465
  H      -1.376277      2.850645      3.523758
  H      -2.121681      4.339317      3.710608
  H      -2.862894      3.110133      2.879289
90
Coordinates from ORCA-job orca E -6508.105230825769
  N      -1.938084      1.046865      5.372514
  Mo     -3.292610      2.467426      5.695314
  N      -4.390679      1.739354      7.170147
  C      -3.929516      1.897324      8.543649
  C      -2.410254      1.868415      8.538348
  N      -1.908723      2.750264      7.440402
  C      -0.586710      2.287923      6.931869
  C      -0.752645      0.960336      6.191370
  C      -1.893443      4.178580      7.872382
  C      -2.266113      5.077570      6.702013
  N      -3.414873      4.486039      6.034251
  H       0.162610      0.771717      5.594500
  H      -0.822873      0.117486      6.911758
  H      -0.223645      3.063919      6.242537
  H       0.137627      2.197902      7.761514
  H      -2.502848      6.087523      7.089118
  H      -1.402735      5.211351      6.020509
  H      -2.654474      4.284343      8.656902
  H      -0.911170      4.433662      8.305175
  H      -4.296462      1.086391      9.193297
  H      -4.300432      2.852235      8.970953
  H      -2.088176      0.842908      8.324172
  H      -1.972181      2.185134      9.500871
  C      -4.327463     -5.519229      1.317824
  C      -3.630034     -4.362666      2.001524
  O      -2.438031     -4.437131      2.290012
  C      -4.423606     -3.132559      2.303795
  C      -5.758649     -2.971163      1.887827
  C      -6.426023     -1.779681      2.190262
  C      -5.776925     -0.778925      2.889382
  F      -6.486552      0.346499      3.168400
  C      -4.430589     -0.885269      3.342520
  C      -3.733279      0.108351      4.095617
  O      -4.248876      1.284623      4.372502
  C      -2.364671     -0.146570      4.675004
  C      -3.796417     -2.113494      3.020126
  C      -4.526810     11.629739      0.951980
  C      -3.790422     10.466841      1.579197
  O      -2.579494     10.334314      1.430404
  C      -4.575503      9.482186      2.390228
  C      -5.963585      9.602358      2.588202
  C      -6.643882      8.658875      3.353547
  C      -5.936392      7.606123      3.920608
  F      -6.651321      6.710334      4.646211
  C      -4.547795      7.438329      3.756268
  C      -3.710121      6.335423      4.321170
  O      -2.538100      6.218081      3.940780
  C      -4.300336      5.397117      5.370951
  C      -3.899969      8.406553      2.970449
  C      -6.817137     -6.132916      4.309032
  C      -5.906252     -5.095711      4.931762
  O      -4.714615     -5.331524      5.106499
  C      -6.498405     -3.783606      5.333751
  C      -7.848271     -3.470486      5.097460
  C      -8.359290     -2.234247      5.475837
  C      -7.513049     -1.312387      6.081533
  F      -8.063524     -0.129011      6.451001
  C      -6.157908     -1.572908      6.341761
  C      -5.186792     -0.612053      6.960554
  O      -4.122091     -1.026192      7.416363
  C      -5.531171      0.880626      6.976128
  C      -5.681262     -2.834736      5.954298
  H      -3.615263     -6.341237      1.190247
  H      -5.184438     -5.864632      1.913668
  H      -4.716702     -5.213993      0.334575
  H      -6.275206     -3.750747      1.329688
  H      -7.462704     -1.616315      1.893084
  H      -1.644843     -0.454011      3.886730
  H      -2.424989     -1.003860      5.381305
  H      -2.767550     -2.291648      3.331614
  H      -5.021164     12.239738      1.723508
  H      -5.313542     11.273890      0.269266
  H      -3.813351     12.248498      0.397778
  H      -6.521134     10.428157      2.146746
  H      -7.719999      8.721364      3.517080
  H      -4.822225      6.045715      6.108072
  H      -5.114229      4.828383      4.882202
  H      -2.825027      8.306910      2.815199
  H      -7.632041     -6.400455      4.998838
  H      -6.231103     -7.027450      4.072877
  H      -7.285170     -5.745009      3.391585
  H      -8.508792     -4.190025      4.614118
  H      -9.403626     -1.968243      5.311666
  H      -6.293258      1.032492      7.766563
  H      -6.030073      1.129089      6.028961
  H      -4.632884     -3.071714      6.137927
  N      -2.267073      3.320377      3.684361
  H      -1.374351      2.850211      3.522507
  H      -2.119219      4.339150      3.710144
  H      -2.860426      3.111622      2.877501
90
Coordinates from ORCA-job orca E -6508.105231981607
  N      -1.938495      1.044925      5.373312
  Mo     -3.292417      2.466373      5.694628
  N      -4.391450      1.740028      7.169402
  C      -3.930309      1.899582      8.542784
  C      -2.411081      1.870055      8.537774
  N      -1.908919      2.750753      7.439126
  C      -0.586949      2.287184      6.931509
  C      -0.753196      0.958811      6.192325
  C      -1.892973      4.179436      7.869777
  C      -2.265883      5.077553      6.698718
  N      -3.414823      4.485761      6.031660
  H       0.162082      0.769399      5.595732
  H      -0.823749      0.116616      6.913468
  H      -0.223289      3.062194      6.241386
  H       0.137084      2.197756      7.761477
  H      -2.502500      6.087886      7.084969
  H      -1.402681      5.210898      6.016893
  H      -2.653341      4.286180      8.654792
  H      -0.910287      4.434530      8.301625
  H      -4.297809      1.089627      9.193357
  H      -4.300960      2.855158      8.968831
  H      -2.089362      0.844230      8.324632
  H      -1.973168      2.187429      9.500158
  C      -4.328497     -5.520131      1.317037
  C      -3.630726     -4.363542      2.000302
  O      -2.438349     -4.437669      2.287338
  C      -4.424243     -3.133604      2.303373
  C      -5.759445     -2.972118      1.887979
  C      -6.426738     -1.780747      2.190927
  C      -5.777343     -0.780190      2.890134
  F      -6.487147      0.344942      3.169908
  C      -4.430806     -0.886620      3.342619
  C      -3.733402      0.106974      4.095750
  O      -4.248770      1.283311      4.372258
  C      -2.365067     -0.148319      4.675620
  C      -3.796741     -2.114709      3.019670
  C      -4.526126     11.635491      0.958603
  C      -3.789704     10.472326      1.585284
  O      -2.578785     10.339937      1.436317
  C      -4.575333      9.484816      2.392286
  C      -5.963967      9.602857      2.587538
  C      -6.644642      8.656772      3.349394
  C      -5.936978      7.603779      3.915783
  F      -6.652199      6.705434      4.637946
  C      -4.547867      7.438094      3.753996
  C      -3.710086      6.335028      4.318529
  O      -2.538301      6.217643      3.937607
  C      -4.300525      5.396040      5.367575
  C      -3.899729      8.408686      2.971477
  C      -6.815050     -6.133186      4.310861
  C      -5.904941     -5.095588      4.933924
  O      -4.713238     -5.330698      5.109109
  C      -6.497922     -3.783709      5.335463
  C      -7.847923     -3.471323      5.099141
  C      -8.359519     -2.235246      5.477196
  C      -7.513768     -1.312680      6.082546
  F      -8.064755     -0.129417      6.451442
  C      -6.158555     -1.572544      6.342956
  C      -5.187875     -0.611279      6.961919
  O      -4.123346     -1.025148      7.418349
  C      -5.532076      0.881386      6.976153
  C      -5.681306     -2.834255      5.955812
  H      -3.617176     -6.343282      1.192003
  H      -5.187525     -5.863383      1.911091
  H      -4.714796     -5.215504      0.332401
  H      -6.276082     -3.751519      1.329649
  H      -7.463557     -1.617303      1.894315
  H      -1.645199     -0.456175      3.887542
  H      -2.425969     -1.005548      5.381991
  H      -2.767737     -2.292846      3.330720
  H      -5.023116     12.243417      1.730043
  H      -5.310741     11.280007      0.273236
  H      -3.812160     12.256147      0.407191
  H      -6.521566     10.428926      2.146667
  H      -7.721194      8.717419      3.510737
  H      -4.823560      6.044124      6.104424
  H      -5.113776      4.826628      4.878625
  H      -2.824350      8.310740      2.818133
  H      -7.629386     -6.401836      5.000921
  H      -6.228417     -7.027103      4.073901
  H      -7.283778     -5.745027      3.393898
  H      -8.508117     -4.191368      4.616108
  H      -9.403999     -1.969884      5.312900
  H      -6.294395      1.033985      7.766220
  H      -6.030801      1.129099      6.028680
  H      -4.632851     -3.070736      6.139597
  N      -2.263747      3.318208      3.684026
  H      -1.370545      2.848630      3.523072
  H      -2.116339      4.337099      3.708883
  H      -2.856262      3.108770      2.876710
90
Coordinates from ORCA-job orca E -6508.105233224095
  N      -1.939239      1.043557      5.373916
  Mo     -3.292779      2.465694      5.694063
  N      -4.392413      1.740547      7.168972
  C      -3.931192      1.901465      8.542120
  C      -2.411977      1.871715      8.537259
  N      -1.909367      2.751429      7.438004
  C      -0.587529      2.286910      6.931003
  C      -0.753896      0.957929      6.192840
  C      -1.893016      4.180389      7.867463
  C      -2.266441      5.077813      6.695993
  N      -3.415644      4.485682      6.029804
  H       0.161395      0.768229      5.596338
  H      -0.824414      0.116091      6.914425
  H      -0.223550      3.061123      6.240144
  H       0.136373      2.198075      7.761149
  H      -2.503040      6.088439      7.081551
  H      -1.403479      5.210890      6.013772
  H      -2.652892      4.287924      8.652843
  H      -0.910011      4.435636      8.298520
  H      -4.298709      1.092152      9.193528
  H      -4.301842      2.857450      8.967263
  H      -2.090274      0.845693      8.325087
  H      -1.974499      2.189752      9.499638
  C      -4.329196     -5.521263      1.316876
  C      -3.631235     -4.364708      1.999988
  O      -2.438623     -4.438557      2.286115
  C      -4.424760     -3.134869      2.303498
  C      -5.760151     -2.973510      1.888672
  C      -6.427468     -1.782208      2.191740
  C      -5.777839     -0.781548      2.890680
  F      -6.487708      0.343463      3.170625
  C      -4.431134     -0.887928      3.342694
  C      -3.733790      0.105838      4.095749
  O      -4.249166      1.282121      4.372081
  C      -2.365502     -0.149446      4.675800
  C      -3.797032     -2.115904      3.019505
  C      -4.523891     11.639899      0.963664
  C      -3.788632     10.474239      1.587030
  O      -2.577667     10.341667      1.438623
  C      -4.574889      9.486289      2.392892
  C      -5.963477      9.604886      2.588218
  C      -6.644680      8.658154      3.348826
  C      -5.937576      7.604148      3.914034
  F      -6.653243      6.705154      4.634991
  C      -4.548609      7.438010      3.752189
  C      -3.711519      6.333687      4.315623
  O      -2.540309      6.215251      3.933575
  C      -4.301756      5.395418      5.365514
  C      -3.899935      8.409096      2.970858
  C      -6.812538     -6.133748      4.311941
  C      -5.903156     -5.095812      4.935370
  O      -4.711505     -5.330530      5.111535
  C      -6.496853     -3.784105      5.336405
  C      -7.846941     -3.472296      5.099728
  C      -8.358975     -2.236315      5.477499
  C      -7.513768     -1.313254      6.082815
  F      -8.065102     -0.129951      6.451068
  C      -6.158550     -1.572575      6.343626
  C      -5.188297     -0.610941      6.962707
  O      -4.124044     -1.024512      7.419969
  C      -5.532860      0.881625      6.976206
  C      -5.680822     -2.834216      5.956803
  H      -3.618578     -6.345325      1.193853
  H      -5.189852     -5.862881      1.909455
  H      -4.713040     -5.217004      0.331142
  H      -6.276843     -3.752996      1.330495
  H      -7.464430     -1.618828      1.895616
  H      -1.645627     -0.457053      3.887628
  H      -2.426439     -1.006879      5.381955
  H      -2.767875     -2.293882      3.330141
  H      -5.021291     12.245597      1.736579
  H      -5.307967     11.286966      0.276357
  H      -3.809165     12.261953      0.414815
  H      -6.520548     10.431806      2.148284
  H      -7.721232      8.719007      3.510102
  H      -4.824732      6.043695      6.102229
  H      -5.115144      4.825629      4.877272
  H      -2.824606      8.310697      2.817389
  H      -7.626883     -6.402783      5.001848
  H      -6.225515     -7.027411      4.074998
  H      -7.281212     -5.745702      3.394909
  H      -8.506784     -4.192653      4.616700
  H      -9.403512     -1.971355      5.312854
  H      -6.295291      1.034129      7.766211
  H      -6.031674      1.128844      6.028646
  H      -4.632311     -3.070253      6.140858
  N      -2.262505      3.316589      3.683561
  H      -1.368023      2.848917      3.524073
  H      -2.117049      4.335816      3.706925
  H      -2.853643      3.104870      2.875824
90
Coordinates from ORCA-job orca E -6508.105234480966
  N      -1.940042      1.042720      5.374801
  Mo     -3.293106      2.465458      5.694384
  N      -4.393313      1.741113      7.169306
  C      -3.932092      1.902641      8.542309
  C      -2.412864      1.872536      8.537664
  N      -1.909662      2.751559      7.438128
  C      -0.588050      2.286232      6.931455
  C      -0.754711      0.957032      6.193741
  C      -1.892850      4.180667      7.866897
  C      -2.266537      5.077891      6.695333
  N      -3.416094      4.485824      6.029757
  H       0.160619      0.767159      5.597333
  H      -0.825376      0.115272      6.915415
  H      -0.223772      3.059948      6.240178
  H       0.135770      2.197571      7.761697
  H      -2.502835      6.088691      7.080647
  H      -1.403655      5.210666      6.012882
  H      -2.652523      4.288801      8.652400
  H      -0.909658      4.435866      8.297588
  H      -4.299559      1.093653      9.194189
  H      -4.302660      2.858867      8.967000
  H      -2.091263      0.846349      8.326105
  H      -1.975854      2.190870      9.500177
  C      -4.329616     -5.520960      1.315541
  C      -3.631647     -4.364755      1.999269
  O      -2.439105     -4.438791      2.285645
  C      -4.425137     -3.134932      2.303021
  C      -5.760496     -2.973428      1.888129
  C      -6.427781     -1.782106      2.191163
  C      -5.778121     -0.781513      2.890216
  F      -6.487783      0.343638      3.169911
  C      -4.431504     -0.888153      3.342487
  C      -3.734258      0.105556      4.095774
  O      -4.249617      1.281772      4.372282
  C      -2.365962     -0.149869      4.675888
  C      -3.797383     -2.116083      3.019189
  C      -4.522760     11.639565      0.962959
  C      -3.788096     10.473190      1.585646
  O      -2.577532     10.338886      1.435516
  C      -4.574585      9.486321      2.392626
  C      -5.962845      9.606481      2.589539
  C      -6.644240      8.660596      3.350994
  C      -5.937661      7.605832      3.915473
  F      -6.653475      6.707579      4.637235
  C      -4.549146      7.438191      3.752063
  C      -3.712682      6.332756      4.314643
  O      -2.542006      6.213271      3.931560
  C      -4.302441      5.395657      5.365949
  C      -3.900205      8.408404      2.969946
  C      -6.810410     -6.133902      4.311844
  C      -5.901378     -5.095596      4.935144
  O      -4.709573     -5.329779      5.111129
  C      -6.495647     -3.784220      5.336450
  C      -7.846026     -3.473159      5.100244
  C      -8.358519     -2.237481      5.478439
  C      -7.513672     -1.314042      6.083589
  F      -8.065503     -0.131083      6.452318
  C      -6.158227     -1.572621      6.343955
  C      -5.188306     -0.610674      6.963054
  O      -4.123944     -1.023879      7.420306
  C      -5.533466      0.881813      6.976506
  C      -5.680002     -2.833964      5.956740
  H      -3.619418     -6.345528      1.193398
  H      -5.191256     -5.861938      1.907051
  H      -4.711874     -5.216417      0.329267
  H      -6.277162     -3.752889      1.329879
  H      -7.464697     -1.618571      1.894947
  H      -1.645976     -0.456735      3.887521
  H      -2.426827     -1.007820      5.381433
  H      -2.768212     -2.294095      3.329768
  H      -5.019192     12.245615      1.736208
  H      -5.307451     11.287161      0.276064
  H      -3.807918     12.261062      0.413616
  H      -6.519464     10.433993      2.150133
  H      -7.720557      8.722581      3.513469
  H      -4.824459      6.044578      6.102727
  H      -5.116522      4.826035      4.878639
  H      -2.825163      8.308689      2.815267
  H      -7.624445     -6.403312      5.001974
  H      -6.223067     -7.027300      4.074668
  H      -7.279513     -5.746074      3.394930
  H      -8.505653     -4.193748      4.617282
  H      -9.403270     -1.973037      5.314227
  H      -6.295828      1.033710      7.766718
  H      -6.032493      1.128943      6.029045
  H      -4.631287     -3.069431      6.140440
  N      -2.262432      3.315896      3.683997
  H      -1.366615      2.850406      3.525509
  H      -2.119341      4.335500      3.706089
  H      -2.852468      3.101663      2.876105
