89
Coordinates from ORCA-job orca E -6507.289486011734
  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      -0.640534      3.536842      3.353609
  H      -1.153533      2.197766      2.510920
89
Coordinates from ORCA-job orca E -6507.305570031372
  N      -1.529825      0.881238      5.469137
  Mo     -2.682934      2.383789      4.883247
  N      -4.287823      2.053084      5.948296
  C      -4.239731      2.341750      7.376094
  C      -2.801020      2.178151      7.869565
  N      -1.868742      2.881146      6.954509
  C      -0.496573      2.344119      7.064240
  C      -0.454181      0.957611      6.423615
  C      -1.846023      4.343052      7.218847
  C      -1.824483      5.014797      5.842889
  N      -2.877405      4.347919      5.103714
  H       0.526911      0.800995      5.936500
  H      -0.564096      0.161443      7.184735
  H       0.168606      3.022987      6.517971
  H      -0.180016      2.309193      8.117599
  H      -1.979851      6.100498      5.921227
  H      -0.851294      4.853986      5.354872
  H      -2.771141      4.631388      7.731961
  H      -0.989733      4.619400      7.848367
  H      -4.873699      1.644101      7.945460
  H      -4.617900      3.363477      7.575738
  H      -2.566212      1.109003      7.843459
  H      -2.683853      2.550087      8.898910
  C      -3.888896     -6.460454      3.325573
  C      -2.958655     -5.281839      3.432727
  O      -1.823537     -5.376289      3.878566
  C      -3.509988     -3.953373      3.020595
  C      -4.638981     -3.820264      2.198023
  C      -5.123135     -2.556848      1.884912
  C      -4.503635     -1.439958      2.412449
  F      -5.043091     -0.233972      2.114913
  C      -3.365780     -1.521737      3.251133
  C      -2.790414     -0.350307      3.883028
  O      -3.194861      0.812060      3.611413
  C      -1.662374     -0.425161      4.871073
  C      -2.884213     -2.814150      3.515232
  C      -5.490271     12.056742      2.445817
  C      -4.794945     10.718071      2.368216
  O      -3.910359     10.502992      1.550500
  C      -5.222635      9.656075      3.330332
  C      -6.197973      9.865256      4.321794
  C      -6.554274      8.827893      5.173970
  C      -5.931461      7.596816      5.056556
  F      -6.351745      6.604448      5.883340
  C      -4.935307      7.341847      4.095080
  C      -4.218025      6.064269      3.920756
  O      -3.674717      5.788775      2.852823
  C      -4.123616      5.082227      5.100189
  C      -4.622640      8.402363      3.232055
  C      -8.252634     -5.650659      4.525703
  C      -7.182782     -4.696669      5.000787
  O      -6.121092     -5.110806      5.456419
  C      -7.455401     -3.233722      4.880213
  C      -8.652855     -2.718728      4.348868
  C      -8.825146     -1.346108      4.234011
  C      -7.818995     -0.484729      4.643399
  F      -8.046755      0.841520      4.481722
  C      -6.607809     -0.945010      5.190583
  C      -5.460251     -0.117074      5.625216
  O      -4.436914     -0.662807      6.026825
  C      -5.526988      1.417210      5.544312
  C      -6.471560     -2.338803      5.293863
  H      -3.408795     -7.347310      3.746537
  H      -4.810801     -6.227734      3.882079
  H      -4.150565     -6.652399      2.278097
  H      -5.139779     -4.695332      1.795302
  H      -5.995417     -2.425937      1.248934
  H      -0.734846     -0.727448      4.339586
  H      -1.869201     -1.188363      5.640643
  H      -2.015197     -2.951544      4.154664
  H      -5.324008     12.512014      3.429731
  H      -6.570030     11.934086      2.299705
  H      -5.090529     12.715697      1.671015
  H      -6.687517     10.828355      4.430453
  H      -7.321998      8.959585      5.933131
  H      -4.250714      5.633456      6.044958
  H      -4.971035      4.382169      5.010950
  H      -3.867945      8.235945      2.465602
  H      -9.178649     -5.494012      5.091772
  H      -7.912002     -6.678956      4.670290
  H      -8.467431     -5.482584      3.463496
  H      -9.447925     -3.379044      4.015912
  H      -9.737479     -0.924331      3.818450
  H      -6.382761      1.743862      6.157783
  H      -5.755947      1.687005      4.501674
  H      -5.542091     -2.731493      5.701494
  N      -1.243391      2.806853      3.394908
  H      -0.595601      3.597642      3.392710
  H      -1.086671      2.259891      2.546488
89
Coordinates from ORCA-job orca E -6507.313293872432
  N      -1.465930      0.858502      5.501661
  Mo     -2.609303      2.383135      4.936495
  N      -4.223567      2.055208      6.037914
  C      -4.128825      2.348157      7.475857
  C      -2.679836      2.173458      7.931618
  N      -1.748655      2.871417      6.984784
  C      -0.371646      2.311491      7.063231
  C      -0.367176      0.921532      6.434724
  C      -1.707383      4.350414      7.234152
  C      -1.703369      5.017935      5.861513
  N      -2.784224      4.353257      5.147328
  H       0.604206      0.750384      5.928468
  H      -0.470729      0.128515      7.204385
  H       0.288135      2.984007      6.497549
  H      -0.032617      2.284478      8.112131
  H      -1.850643      6.107502      5.938030
  H      -0.737947      4.852211      5.353199
  H      -2.622148      4.643809      7.769246
  H      -0.834578      4.614642      7.852659
  H      -4.754202      1.657634      8.066285
  H      -4.493039      3.374920      7.686347
  H      -2.445706      1.101638      7.904486
  H      -2.526833      2.550324      8.957559
  C      -3.744895     -6.515432      3.441293
  C      -2.875868     -5.282290      3.518208
  O      -1.716395     -5.317128      3.920824
  C      -3.491253     -3.964447      3.118613
  C      -4.657166     -3.864394      2.336780
  C      -5.186338     -2.613739      2.015188
  C      -4.568667     -1.468693      2.499329
  F      -5.144633     -0.289089      2.200830
  C      -3.397737     -1.517706      3.302048
  C      -2.792676     -0.345226      3.914483
  O      -3.191964      0.833952      3.665877
  C      -1.651580     -0.437375      4.883104
  C      -2.878437     -2.798381      3.575124
  C      -5.683861     11.967580      2.351176
  C      -4.939653     10.649930      2.305992
  O      -4.041117     10.449126      1.494406
  C      -5.327311      9.576257      3.288970
  C      -6.314219      9.762951      4.275652
  C      -6.636600      8.729246      5.153268
  C      -5.959213      7.518998      5.053048
  F      -6.333410      6.524141      5.896695
  C      -4.954921      7.285830      4.096946
  C      -4.180043      6.016247      3.944247
  O      -3.635221      5.746255      2.888947
  C      -4.047083      5.058525      5.149675
  C      -4.675870      8.340473      3.212863
  C      -8.423676     -5.500562      4.188932
  C      -7.330934     -4.605425      4.731267
  O      -6.272111     -5.073427      5.148190
  C      -7.559084     -3.120077      4.729727
  C      -8.740281     -2.530761      4.235306
  C      -8.878877     -1.145009      4.216066
  C      -7.839842     -0.349256      4.689641
  F      -8.013489      0.988407      4.629673
  C      -6.647123     -0.884156      5.207838
  C      -5.466802     -0.101749      5.691428
  O      -4.465222     -0.697570      6.074000
  C      -5.480301      1.437032      5.637716
  C      -6.546930     -2.286946      5.214646
  H      -3.194679     -7.376715      3.840795
  H      -4.664799     -6.346616      4.033157
  H      -4.039318     -6.725190      2.397529
  H      -5.154625     -4.763937      1.963962
  H      -6.088006     -2.512167      1.404567
  H      -0.744871     -0.760784      4.323578
  H      -1.855351     -1.210302      5.648846
  H      -1.976103     -2.907213      4.185527
  H      -5.544919     12.455869      3.331929
  H      -6.766468     11.808923      2.204652
  H      -5.300352     12.625511      1.561119
  H      -6.843903     10.715902      4.364030
  H      -7.414676      8.844910      5.913859
  H      -4.185244      5.616890      6.092836
  H      -4.882557      4.337990      5.073651
  H      -3.909699      8.188138      2.446347
  H      -9.354717     -5.370300      4.768101
  H      -8.100654     -6.547249      4.253492
  H      -8.646473     -5.247999      3.137142
  H      -9.557107     -3.148594      3.851098
  H      -9.781727     -0.664001      3.828320
  H      -6.330068      1.775746      6.258338
  H      -5.716975      1.732756      4.601015
  H      -5.624762     -2.736610      5.593984
  N      -1.272861      2.804318      3.396285
  H      -0.661410      3.617686      3.334825
  H      -1.154914      2.244736      2.553677
89
Coordinates from ORCA-job orca E -6507.318781413487
  N      -1.483345      0.841115      5.529929
  Mo     -2.589712      2.393229      4.959253
  N      -4.232174      2.063072      6.045717
  C      -4.142898      2.365197      7.482977
  C      -2.703234      2.171691      7.951850
  N      -1.746398      2.855059      7.014464
  C      -0.380336      2.266640      7.104887
  C      -0.398571      0.877122      6.478000
  C      -1.684960      4.335643      7.267340
  C      -1.656644      5.010777      5.902820
  N      -2.738678      4.366938      5.174217
  H       0.576152      0.686602      5.986644
  H      -0.528807      0.085974      7.244351
  H       0.294790      2.930899      6.548938
  H      -0.055051      2.236481      8.157382
  H      -1.792542      6.101300      5.983150
  H      -0.689788      4.838418      5.401653
  H      -2.600361      4.632675      7.797692
  H      -0.816436      4.575359      7.901312
  H      -4.780646      1.684797      8.071180
  H      -4.498238      3.395543      7.685738
  H      -2.475999      1.099047      7.928400
  H      -2.549067      2.549206      8.976603
  C      -3.868202     -6.457059      3.329427
  C      -2.985746     -5.240150      3.454682
  O      -1.849963     -5.295458      3.915410
  C      -3.551915     -3.903988      3.039448
  C      -4.682744     -3.768926      2.214008
  C      -5.172953     -2.505213      1.881864
  C      -4.551243     -1.377156      2.402229
  F      -5.083323     -0.181397      2.099576
  C      -3.416609     -1.461741      3.247319
  C      -2.808072     -0.312785      3.893192
  O      -3.195441      0.876661      3.661752
  C      -1.692342     -0.436818      4.885543
  C      -2.933107     -2.755508      3.529362
  C      -5.710207     11.946254      2.326805
  C      -4.935254     10.648557      2.300374
  O      -4.007890     10.472002      1.517403
  C      -5.324985      9.558307      3.264731
  C      -6.344940      9.716505      4.220306
  C      -6.671052      8.675391      5.087657
  C      -5.959796      7.483034      5.000823
  F      -6.327349      6.474142      5.830971
  C      -4.926154      7.278890      4.073504
  C      -4.115502      6.021240      3.938563
  O      -3.539694      5.765614      2.898653
  C      -3.998653      5.069695      5.153601
  C      -4.641512      8.339652      3.201928
  C      -8.331970     -5.550927      4.330446
  C      -7.263900     -4.629649      4.871249
  O      -6.210234     -5.070412      5.325264
  C      -7.500776     -3.146950      4.823010
  C      -8.667226     -2.582342      4.272401
  C      -8.817705     -1.199980      4.202918
  C      -7.796679     -0.385293      4.685630
  F      -7.971977      0.949236      4.583819
  C      -6.620209     -0.897852      5.259238
  C      -5.455038     -0.088955      5.753344
  O      -4.476443     -0.662387      6.219347
  C      -5.472483      1.441163      5.630628
  C      -6.508829     -2.295816      5.315703
  H      -3.349134     -7.327529      3.747539
  H      -4.814305     -6.283887      3.871295
  H      -4.116488     -6.656416      2.273056
  H      -5.186621     -4.653783      1.819180
  H      -6.046527     -2.378162      1.239440
  H      -0.784205     -0.774713      4.336910
  H      -1.923335     -1.219526      5.633075
  H      -2.059910     -2.890520      4.172024
  H      -5.618478     12.434015      3.312116
  H      -6.783508     11.766406      2.148220
  H      -5.316938     12.615219      1.552543
  H      -6.897966     10.655821      4.293155
  H      -7.472107      8.769511      5.824063
  H      -4.161321      5.626593      6.093488
  H      -4.830945      4.349034      5.059980
  H      -3.851211      8.208861      2.458295
  H      -9.279442     -5.414720      4.878582
  H      -7.998918     -6.590204      4.433617
  H      -8.535482     -5.332578      3.268409
  H      -9.464987     -3.219091      3.882880
  H      -9.709208     -0.738656      3.772845
  H      -6.338426      1.808676      6.212785
  H      -5.685627      1.695447      4.579314
  H      -5.597991     -2.726398      5.738072
  N      -1.305436      2.818888      3.413045
  H      -0.739848      3.662040      3.312786
  H      -1.194630      2.245686      2.576963
89
Coordinates from ORCA-job orca E -6507.323097380530
  N      -1.475735      0.826718      5.548070
  Mo     -2.568316      2.388794      4.978664
  N      -4.218827      2.062547      6.075814
  C      -4.114365      2.376146      7.505640
  C      -2.676862      2.173660      7.969124
  N      -1.716324      2.844635      7.026871
  C      -0.356849      2.243581      7.112559
  C      -0.392027      0.851434      6.494060
  C      -1.642368      4.323973      7.277690
  C      -1.612977      4.998828      5.915055
  N      -2.697795      4.367554      5.186365
  H       0.579758      0.645826      6.004740
  H      -0.530631      0.066787      7.264206
  H       0.319156      2.902010      6.552301
  H      -0.028343      2.218108      8.163581
  H      -1.742813      6.089684      5.995588
  H      -0.649924      4.822302      5.410192
  H      -2.553158      4.622223      7.813164
  H      -0.772260      4.549597      7.913326
  H      -4.755046      1.706890      8.103034
  H      -4.460061      3.410197      7.701391
  H      -2.451754      1.101434      7.951342
  H      -2.511350      2.557207      8.988893
  C      -3.885055     -6.444778      3.306106
  C      -3.014470     -5.227099      3.454024
  O      -1.879254     -5.283654      3.911382
  C      -3.581856     -3.888792      3.055478
  C      -4.717357     -3.744537      2.240811
  C      -5.200775     -2.479518      1.912266
  C      -4.568315     -1.355860      2.427519
  F      -5.085899     -0.152951      2.128944
  C      -3.433578     -1.450103      3.266993
  C      -2.816987     -0.307666      3.909994
  O      -3.209277      0.882703      3.685759
  C      -1.701528     -0.441944      4.899411
  C      -2.955836     -2.746663      3.545912
  C      -5.764934     11.900444      2.314933
  C      -4.958665     10.625202      2.301486
  O      -4.008670     10.476502      1.542331
  C      -5.344118      9.521331      3.248263
  C      -6.390203      9.650235      4.177216
  C      -6.713840      8.601047      5.033843
  C      -5.971412      7.428305      4.959616
  F      -6.331112      6.406007      5.778420
  C      -4.913175      7.254198      4.056221
  C      -4.068680      6.015119      3.934155
  O      -3.467578      5.775784      2.902641
  C      -3.953643      5.070431      5.154434
  C      -4.629901      8.321773      3.195915
  C      -8.303574     -5.504519      4.265261
  C      -7.248889     -4.592349      4.838618
  O      -6.202705     -5.037745      5.301281
  C      -7.486776     -3.111491      4.811919
  C      -8.638255     -2.542712      4.240089
  C      -8.793058     -1.161815      4.184380
  C      -7.786447     -0.353045      4.702759
  F      -7.965850      0.983836      4.616919
  C      -6.624414     -0.872812      5.300206
  C      -5.466874     -0.070021      5.827216
  O      -4.513639     -0.647063      6.336899
  C      -5.457372      1.453358      5.664536
  C      -6.509594     -2.268620      5.343137
  H      -3.356712     -7.317171      3.703997
  H      -4.831528     -6.295479      3.848837
  H      -4.133476     -6.623499      2.248173
  H      -5.228574     -4.624511      1.849886
  H      -6.074644     -2.345928      1.275301
  H      -0.799032     -0.791509      4.348641
  H      -1.936043     -1.225713      5.643316
  H      -2.081356     -2.889822      4.180268
  H      -5.713884     12.383950      3.302769
  H      -6.827127     11.697014      2.110635
  H      -5.369188     12.582407      1.555593
  H      -6.965613     10.574112      4.237206
  H      -7.533095      8.673067      5.748666
  H      -4.128180      5.629722      6.089490
  H      -4.784889      4.350173      5.056312
  H      -3.821177      8.213888      2.471772
  H      -9.260168     -5.378893      4.795173
  H      -7.970547     -6.543346      4.356549
  H      -8.491297     -5.269075      3.206354
  H      -9.421428     -3.176327      3.823424
  H      -9.673492     -0.698311      3.740230
  H      -6.323349      1.854067      6.224574
  H      -5.661152      1.683687      4.607148
  H      -5.610525     -2.702862      5.781543
  N      -1.376672      2.816784      3.395978
  H      -0.871824      3.690311      3.240490
  H      -1.286649      2.224985      2.569014
89
Coordinates from ORCA-job orca E -6507.326805775044
  N      -1.480134      0.818988      5.559162
  Mo     -2.558294      2.388359      4.989247
  N      -4.217664      2.067571      6.090010
  C      -4.105228      2.388783      7.513489
  C      -2.670981      2.177550      7.979204
  N      -1.703518      2.837862      7.037045
  C      -0.350424      2.225104      7.121929
  C      -0.400266      0.831599      6.508671
  C      -1.616000      4.314968      7.289139
  C      -1.579388      4.990542      5.927445
  N      -2.664732      4.373793      5.192269
  H       0.570284      0.608767      6.025256
  H      -0.551918      0.053253      7.282561
  H       0.329948      2.877156      6.559450
  H      -0.020574      2.201167      8.172652
  H      -1.700771      6.082450      6.009427
  H      -0.616922      4.807830      5.423368
  H      -2.524217      4.618447      7.825609
  H      -0.745792      4.527579      7.928749
  H      -4.751215      1.729367      8.116625
  H      -4.442582      3.426991      7.703173
  H      -2.450421      1.104479      7.967571
  H      -2.501622      2.565183      8.996712
  C      -3.901625     -6.438601      3.265135
  C      -3.042877     -5.220054      3.446968
  O      -1.915270     -5.278097      3.921682
  C      -3.611150     -3.880419      3.060781
  C      -4.742399     -3.730260      2.242284
  C      -5.221700     -2.464399      1.917620
  C      -4.589910     -1.344319      2.439224
  F      -5.098080     -0.137348      2.137542
  C      -3.460656     -1.444234      3.285761
  C      -2.840657     -0.304623      3.928817
  O      -3.233793      0.885971      3.706310
  C      -1.723340     -0.446419      4.914030
  C      -2.987233     -2.743058      3.562274
  C      -5.783496     11.895122      2.322251
  C      -4.948827     10.639594      2.321043
  O      -3.971245     10.522361      1.592394
  C      -5.340126      9.517130      3.240593
  C      -6.418538      9.612387      4.135093
  C      -6.747122      8.548438      4.970557
  C      -5.976968      7.394045      4.908944
  F      -6.337343      6.355315      5.708011
  C      -4.887777      7.253142      4.037564
  C      -4.013414      6.034411      3.928772
  O      -3.378573      5.818449      2.910482
  C      -3.913134      5.085134      5.144504
  C      -4.598152      8.334695      3.198028
  C      -8.261637     -5.498630      4.258515
  C      -7.213105     -4.585511      4.838852
  O      -6.167584     -5.030426      5.303110
  C      -7.457566     -3.106751      4.818339
  C      -8.605066     -2.542800      4.236247
  C      -8.769594     -1.163398      4.186074
  C      -7.775151     -0.351093      4.719542
  F      -7.967892      0.986089      4.643070
  C      -6.615743     -0.866457      5.325547
  C      -5.467330     -0.059106      5.867194
  O      -4.529791     -0.628884      6.411975
  C      -5.450735      1.460557      5.677760
  C      -6.490881     -2.260951      5.364105
  H      -3.371544     -7.314254      3.652388
  H      -4.857113     -6.308509      3.796158
  H      -4.134891     -6.597623      2.201217
  H      -5.253180     -4.607352      1.845834
  H      -6.090965     -2.326236      1.275925
  H      -0.826994     -0.813105      4.363904
  H      -1.963963     -1.226523      5.660378
  H      -2.115595     -2.892773      4.198000
  H      -5.778385     12.367110      3.316155
  H      -6.833219     11.671281      2.081617
  H      -5.378684     12.595193      1.585010
  H      -7.015315     10.522440      4.184226
  H      -7.590133      8.595387      5.658455
  H      -4.101158      5.643801      6.077211
  H      -4.748168      4.370457      5.033882
  H      -3.765411      8.252872      2.499121
  H      -9.221153     -5.377584      4.782681
  H      -7.926046     -6.536476      4.347206
  H      -8.447113     -5.260147      3.200573
  H      -9.378887     -3.180069      3.809589
  H      -9.649186     -0.704139      3.737200
  H      -6.321742      1.878973      6.218319
  H      -5.647097      1.670448      4.614874
  H      -5.595017     -2.691327      5.811313
  N      -1.468847      2.821177      3.365882
  H      -1.036240      3.722038      3.158491
  H      -1.400099      2.212528      2.548936
89
Coordinates from ORCA-job orca E -6507.330514242241
  N      -1.480760      0.817786      5.553316
  Mo     -2.556523      2.385411      4.987925
  N      -4.217065      2.069961      6.094475
  C      -4.096812      2.396950      7.512031
  C      -2.664064      2.178958      7.979676
  N      -1.694576      2.833297      7.037682
  C      -0.344333      2.216738      7.117398
  C      -0.401699      0.823719      6.504808
  C      -1.598531      4.307211      7.292668
  C      -1.558207      4.983945      5.930478
  N      -2.643171      4.378487      5.189623
  H       0.566892      0.589188      6.024210
  H      -0.561081      0.049341      7.281096
  H       0.336405      2.866004      6.551831
  H      -0.009053      2.192086      8.166463
  H      -1.672999      6.076542      6.015021
  H      -0.595786      4.796905      5.427257
  H      -2.504314      4.615690      7.830272
  H      -0.727573      4.512697      7.933153
  H      -4.746735      1.746419      8.120979
  H      -4.426045      3.438950      7.697446
  H      -2.448223      1.104870      7.973254
  H      -2.494126      2.569046      8.996156
  C      -3.883426     -6.454807      3.264481
  C      -3.039361     -5.230089      3.466069
  O      -1.915229     -5.283049      3.949692
  C      -3.617249     -3.895053      3.083960
  C      -4.749180     -3.751053      2.265566
  C      -5.233338     -2.487886      1.941456
  C      -4.606685     -1.365357      2.461227
  F      -5.118629     -0.159908      2.153899
  C      -3.477049     -1.458648      3.309599
  C      -2.859063     -0.313310      3.945122
  O      -3.262178      0.873076      3.723883
  C      -1.732404     -0.451361      4.919031
  C      -2.999253     -2.755416      3.586620
  C      -5.788089     11.910998      2.352233
  C      -4.929651     10.671736      2.359479
  O      -3.926365     10.585697      1.661909
  C      -5.330370      9.529399      3.247282
  C      -6.439520      9.590888      4.106387
  C      -6.774055      8.508739      4.915042
  C      -5.981356      7.370317      4.863373
  F      -6.345912      6.314680      5.638796
  C      -4.862493      7.261803      4.024910
  C      -3.964848      6.063220      3.926297
  O      -3.294652      5.874336      2.922883
  C      -3.882773      5.101828      5.129801
  C      -4.565460      8.361503      3.211548
  C      -8.246327     -5.485248      4.233874
  C      -7.199449     -4.575667      4.823006
  O      -6.154794     -5.025552      5.284677
  C      -7.446508     -3.098635      4.811928
  C      -8.589760     -2.533437      4.223005
  C      -8.756859     -1.154390      4.182629
  C      -7.771128     -0.343246      4.731174
  F      -7.971173      0.994662      4.665204
  C      -6.615699     -0.859076      5.343166
  C      -5.476225     -0.052190      5.899665
  O      -4.550963     -0.617421      6.469726
  C      -5.449430      1.464941      5.686278
  C      -6.486980     -2.253717      5.372529
  H      -3.346959     -7.329643      3.644141
  H      -4.843214     -6.340978      3.791053
  H      -4.108361     -6.602470      2.197493
  H      -5.256340     -4.630229      1.870318
  H      -6.102740     -2.353666      1.299267
  H      -0.841786     -0.829490      4.368096
  H      -1.970430     -1.225384      5.673153
  H      -2.126976     -2.902741      4.221818
  H      -5.825498     12.366343      3.352792
  H      -6.824417     11.670939      2.073702
  H      -5.373360     12.630864      1.640262
  H      -7.054804     10.488405      4.148470
  H      -7.639576      8.530450      5.575444
  H      -4.080975      5.657378      6.062802
  H      -4.723316      4.395252      5.005812
  H      -3.709742      8.305967      2.538853
  H      -9.207168     -5.367377      4.755542
  H      -7.911546     -6.523678      4.316035
  H      -8.429196     -5.239597      3.177426
  H      -9.357735     -3.169384      3.785113
  H      -9.634238     -0.694342      3.730615
  H      -6.321544      1.899464      6.212739
  H      -5.642127      1.655564      4.619012
  H      -5.594847     -2.684738      5.825921
  N      -1.586550      2.829787      3.313313
  H      -1.235066      3.754223      3.062350
  H      -1.543280      2.207951      2.504138
89
Coordinates from ORCA-job orca E -6507.334453268948
  N      -1.487407      0.825942      5.533273
  Mo     -2.570397      2.385925      4.980504
  N      -4.225130      2.071382      6.090762
  C      -4.099087      2.397545      7.505809
  C      -2.666029      2.174026      7.975042
  N      -1.697551      2.830359      7.036161
  C      -0.346521      2.216441      7.105211
  C      -0.405604      0.827355      6.485324
  C      -1.597282      4.300473      7.298419
  C      -1.554623      4.982040      5.936187
  N      -2.639382      4.386688      5.189639
  H       0.560390      0.587713      6.003282
  H      -0.568091      0.052107      7.260374
  H       0.331071      2.868072      6.537807
  H      -0.002415      2.186099      8.151454
  H      -1.663934      6.075006      6.026312
  H      -0.591534      4.792824      5.433899
  H      -2.500977      4.612824      7.837691
  H      -0.724794      4.502285      7.937920
  H      -4.751207      1.751214      8.117190
  H      -4.422075      3.441749      7.692747
  H      -2.454198      1.098770      7.968798
  H      -2.499336      2.561348      8.993374
  C      -3.845327     -6.481862      3.270268
  C      -3.017035     -5.247203      3.483170
  O      -1.894295     -5.290214      3.972365
  C      -3.612061     -3.919588      3.104485
  C      -4.748605     -3.788350      2.289777
  C      -5.245346     -2.529368      1.968112
  C      -4.627627     -1.401414      2.484483
  F      -5.153223     -0.201491      2.173106
  C      -3.493064     -1.481535      3.330045
  C      -2.880879     -0.325822      3.955662
  O      -3.299813      0.853103      3.737803
  C      -1.739691     -0.452206      4.913103
  C      -3.003546     -2.773616      3.605239
  C      -5.751923     11.952938      2.385039
  C      -4.880119     10.721913      2.403650
  O      -3.851586     10.658377      1.740438
  C      -5.300683      9.563321      3.259043
  C      -6.440339      9.600247      4.079654
  C      -6.788543      8.501759      4.859893
  C      -5.983065      7.372472      4.820913
  F      -6.361952      6.304288      5.571604
  C      -4.834605      7.286414      4.018871
  C      -3.924448      6.101593      3.933741
  O      -3.217669      5.934520      2.949310
  C      -3.868701      5.125084      5.121587
  C      -4.522823      8.403191      3.233079
  C      -8.225800     -5.495197      4.225024
  C      -7.178867     -4.582391      4.812347
  O      -6.130146     -5.032045      5.266362
  C      -7.435364     -3.107760      4.808680
  C      -8.582127     -2.546292      4.221133
  C      -8.756001     -1.167762      4.190078
  C      -7.777461     -0.352596      4.744092
  F      -7.990368      0.984164      4.687631
  C      -6.618642     -0.862829      5.353534
  C      -5.487990     -0.052381      5.915569
  O      -4.568231     -0.610478      6.502212
  C      -5.458485      1.464744      5.686793
  C      -6.482116     -2.258021      5.374424
  H      -3.299724     -7.353815      3.644049
  H      -4.806809     -6.381824      3.797975
  H      -4.066660     -6.623302      2.201469
  H      -5.249313     -4.672527      1.897167
  H      -6.118537     -2.403563      1.328577
  H      -0.853699     -0.835499      4.359902
  H      -1.968101     -1.219250      5.678174
  H      -2.126941     -2.913459      4.237243
  H      -5.828969     12.391324      3.391234
  H      -6.774884     11.705193      2.065626
  H      -5.320907     12.689210      1.699660
  H      -7.067525     10.490158      4.113751
  H      -7.676813      8.505079      5.490692
  H      -4.074433      5.676292      6.056721
  H      -4.716547      4.429422      4.983178
  H      -3.643818      8.366881      2.589253
  H      -9.184538     -5.382390      4.752294
  H      -7.887124     -6.532979      4.301826
  H      -8.413943     -5.246668      3.169809
  H      -9.346505     -3.183985      3.779004
  H      -9.636964     -0.710454      3.740992
  H      -6.330712      1.907469      6.206114
  H      -5.650276      1.641509      4.616848
  H      -5.587806     -2.685705      5.827651
  N      -1.737686      2.851041      3.248709
  H      -1.475372      3.796132      2.968954
  H      -1.724773      2.222195      2.443932
89
Coordinates from ORCA-job orca E -6507.338413064768
  N      -1.496916      0.842536      5.498357
  Mo     -2.599432      2.390252      4.972110
  N      -4.237870      2.070021      6.086230
  C      -4.106107      2.386489      7.503764
  C      -2.670458      2.157438      7.969977
  N      -1.708334      2.825857      7.036216
  C      -0.352502      2.221325      7.085427
  C      -0.407927      0.840813      6.448203
  C      -1.610036      4.291673      7.311939
  C      -1.569188      4.983969      5.952300
  N      -2.654568      4.396617      5.200498
  H       0.554667      0.605646      5.958471
  H      -0.567066      0.057552      7.216182
  H       0.316257      2.882471      6.517713
  H       0.005300      2.179299      8.126847
  H      -1.675887      6.076528      6.052396
  H      -0.605110      4.797452      5.450059
  H      -2.511750      4.603419      7.855451
  H      -0.734590      4.493011      7.947862
  H      -4.757562      1.737894      8.113336
  H      -4.424736      3.430467      7.700255
  H      -2.460753      1.081341      7.955365
  H      -2.508029      2.534731      8.993142
  C      -3.788985     -6.514858      3.282821
  C      -2.975854     -5.267447      3.495172
  O      -1.851371     -5.295653      3.983124
  C      -3.592611     -3.949241      3.117075
  C      -4.737332     -3.836181      2.310137
  C      -5.253852     -2.583007      1.992087
  C      -4.647962     -1.446693      2.503427
  F      -5.195874     -0.256224      2.192196
  C      -3.504552     -1.508690      3.340386
  C      -2.902036     -0.340063      3.956327
  O      -3.343510      0.828556      3.748261
  C      -1.741421     -0.447496      4.891493
  C      -2.995919     -2.793266      3.611412
  C      -5.684427     12.006888      2.403824
  C      -4.809149     10.776744      2.440642
  O      -3.756983     10.723534      1.813506
  C      -5.257470      9.608698      3.268946
  C      -6.425779      9.633708      4.050318
  C      -6.793957      8.524548      4.806427
  C      -5.984373      7.397578      4.785086
  F      -6.384536      6.323917      5.515079
  C      -4.808404      7.321239      4.020867
  C      -3.895504      6.141840      3.955484
  O      -3.152372      5.987146      2.994503
  C      -3.873797      5.150585      5.128603
  C      -4.476065      8.449904      3.258700
  C      -8.210244     -5.517356      4.223746
  C      -7.162003     -4.599205      4.805064
  O      -6.105727     -5.045749      5.246061
  C      -7.429463     -3.126545      4.809108
  C      -8.583815     -2.569357      4.229022
  C      -8.764671     -1.191128      4.207644
  C      -7.789883     -0.371276      4.761829
  F      -8.013155      0.963349      4.714506
  C      -6.624285     -0.875116      5.362934
  C      -5.501290     -0.059445      5.925156
  O      -4.580076     -0.610533      6.517461
  C      -5.474613      1.459320      5.688487
  C      -6.480063     -2.271113      5.374234
  H      -3.231542     -7.381506      3.652652
  H      -4.748113     -6.424474      3.818729
  H      -4.014014     -6.657048      2.214319
  H      -5.229744     -4.727870      1.922698
  H      -6.134466     -2.469852      1.359265
  H      -0.858783     -0.825871      4.331856
  H      -1.951106     -1.209043      5.668112
  H      -2.112149     -2.920530      4.237802
  H      -5.797283     12.433542      3.412464
  H      -6.694366     11.757980      2.043987
  H      -5.231927     12.752583      1.742182
  H      -7.058454     10.520944      4.072977
  H      -7.703680      8.518794      5.407471
  H      -4.084569      5.696052      6.067457
  H      -4.729605      4.467793      4.975347
  H      -3.574715      8.422838      2.644783
  H      -9.164607     -5.411485      4.761791
  H      -7.865101     -6.553926      4.293835
  H      -8.408073     -5.266245      3.170117
  H      -9.347317     -3.208891      3.786436
  H      -9.651586     -0.736678      3.765368
  H      -6.344196      1.903517      6.210017
  H      -5.669497      1.629416      4.617958
  H      -5.580511     -2.694964      5.822479
  N      -1.917075      2.887803      3.183320
  H      -1.748407      3.851324      2.894845
  H      -1.937189      2.259465      2.378780
89
Coordinates from ORCA-job orca E -6507.341952889255
  N      -1.507805      0.859545      5.461533
  Mo     -2.632515      2.399260      4.973525
  N      -4.252577      2.069942      6.091536
  C      -4.114458      2.368088      7.514927
  C      -2.676978      2.128378      7.973830
  N      -1.721507      2.813348      7.047882
  C      -0.361485      2.216585      7.073248
  C      -0.414013      0.849026      6.411129
  C      -1.626326      4.274577      7.342588
  C      -1.585266      4.983075      5.990165
  N      -2.671065      4.406874      5.229230
  H       0.546307      0.623075      5.913682
  H      -0.571032      0.052191      7.165481
  H       0.297680      2.891292      6.509968
  H       0.009488      2.157378      8.109287
  H      -1.689163      6.074701      6.103250
  H      -0.619692      4.801022      5.488903
  H      -2.526825      4.581624      7.890949
  H      -0.748571      4.472131      7.976978
  H      -4.765589      1.713550      8.117910
  H      -4.428074      3.410227      7.726547
  H      -2.469110      1.052011      7.942733
  H      -2.516267      2.489030      9.003540
  C      -3.753062     -6.529771      3.266671
  C      -2.951131     -5.273766      3.480390
  O      -1.826759     -5.290511      3.969462
  C      -3.582667     -3.960901      3.104774
  C      -4.733032     -3.858969      2.304128
  C      -5.266384     -2.610068      1.992801
  C      -4.670654     -1.468343      2.505203
  F      -5.235736     -0.284839      2.201200
  C      -3.520947     -1.519826      3.333822
  C      -2.926343     -0.344412      3.947878
  O      -3.389182      0.815787      3.757340
  C      -1.747497     -0.437467      4.860488
  C      -2.995561     -2.798561      3.597246
  C      -5.615077     12.048357      2.393512
  C      -4.735180     10.821775      2.459210
  O      -3.658311     10.776774      1.874562
  C      -5.210453      9.646543      3.263511
  C      -6.408886      9.661249      3.998997
  C      -6.798789      8.545435      4.734736
  C      -5.982516      7.422460      4.739458
  F      -6.402901      6.345103      5.450797
  C      -4.777904      7.355282      4.019913
  C      -3.859602      6.179443      3.984201
  O      -3.074995      6.035666      3.054717
  C      -3.880328      5.175210      5.146307
  C      -4.423614      8.491233      3.278098
  C      -8.174335     -5.550861      4.250860
  C      -7.128365     -4.620845      4.819344
  O      -6.062231     -5.055805      5.248490
  C      -7.411678     -3.150503      4.826662
  C      -8.576272     -2.604260      4.254813
  C      -8.770969     -1.227545      4.237247
  C      -7.800970     -0.397981      4.787055
  F      -8.037267      0.933362      4.744675
  C      -6.625866     -0.890277      5.379509
  C      -5.510437     -0.063749      5.939078
  O      -4.586002     -0.606128      6.534931
  C      -5.491341      1.455820      5.697679
  C      -6.468069     -2.285342      5.386448
  H      -3.186923     -7.392524      3.633049
  H      -4.710477     -6.446871      3.808152
  H      -3.981035     -6.671866      2.198450
  H      -5.218567     -4.755431      1.917957
  H      -6.152737     -2.505346      1.366108
  H      -0.869058     -0.807752      4.290664
  H      -1.938004     -1.196810      5.644466
  H      -2.106947     -2.917281      4.219299
  H      -5.769835     12.468634      3.399754
  H      -6.608297     11.795381      1.991101
  H      -5.140171     12.800105      1.754420
  H      -7.047867     10.544809      4.002248
  H      -7.730967      8.531682      5.301011
  H      -4.102357      5.713204      6.087732
  H      -4.742355      4.505999      4.971349
  H      -3.498455      8.471817      2.699437
  H      -9.123784     -5.453494      4.800039
  H      -7.817726     -6.583934      4.319055
  H      -8.385225     -5.303681      3.198361
  H      -9.336749     -3.250581      3.815788
  H      -9.665848     -0.781321      3.801678
  H      -6.357940      1.898346      6.224687
  H      -5.689499      1.624650      4.627875
  H      -5.561177     -2.700433      5.829225
  N      -2.098073      2.937493      3.146353
  H      -2.015844      3.915793      2.868503
  H      -2.151988      2.316093      2.338502
89
Coordinates from ORCA-job orca E -6507.344949910417
  N      -1.513889      0.875653      5.424134
  Mo     -2.664231      2.410129      4.983222
  N      -4.263366      2.070607      6.107266
  C      -4.117607      2.345654      7.537496
  C      -2.679141      2.092448      7.984663
  N      -1.731043      2.795382      7.067469
  C      -0.368302      2.205012      7.066677
  C      -0.418661      0.853032      6.376021
  C      -1.638924      4.251498      7.382565
  C      -1.597385      4.978354      6.040204
  N      -2.683079      4.414128      5.269707
  H       0.541150      0.639438      5.872805
  H      -0.575386      0.039765      7.112339
  H       0.280840      2.895333      6.510841
  H       0.015503      2.125844      8.096691
  H      -1.699137      6.068551      6.167066
  H      -0.630732      4.802075      5.539110
  H      -2.538475      4.551259      7.936092
  H      -0.759248      4.443452      8.016348
  H      -4.769066      1.683768      8.131111
  H      -4.425327      3.385194      7.766097
  H      -2.473571      1.016453      7.931777
  H      -2.516740      2.432572      9.021265
  C      -3.719865     -6.534676      3.244600
  C      -2.928090     -5.271886      3.457561
  O      -1.804223     -5.277694      3.947085
  C      -3.571227     -3.963125      3.083809
  C      -4.726230     -3.869765      2.289259
  C      -5.275655     -2.625659      1.985012
  C      -4.689882     -1.478998      2.499965
  F      -5.269850     -0.301228      2.206639
  C      -3.534904     -1.522750      3.319782
  C      -2.947687     -0.343669      3.935831
  O      -3.432424      0.809041      3.768352
  C      -1.751175     -0.424583      4.825073
  C      -2.992897     -2.795829      3.575156
  C      -5.566162     12.066312      2.358670
  C      -4.680363     10.846203      2.454493
  O      -3.585116     10.806963      1.905309
  C      -5.172793      9.667828      3.245510
  C      -6.393796      9.675262      3.942929
  C      -6.799048      8.558273      4.668727
  C      -5.974743      7.441022      4.700919
  F      -6.407289      6.363420      5.403443
  C      -4.748761      7.381009      4.018378
  C      -3.823431      6.208576      4.014158
  O      -3.003896      6.072519      3.114188
  C      -3.882512      5.196015      5.170009
  C      -4.379155      8.518251      3.286751
  C      -8.148901     -5.568898      4.270618
  C      -7.103829     -4.632676      4.829729
  O      -6.029312     -5.058905      5.245528
  C      -7.397260     -3.163602      4.843972
  C      -8.568934     -2.623623      4.280682
  C      -8.774311     -1.248363      4.268320
  C      -7.806542     -0.414096      4.816432
  F      -8.048643      0.915502      4.780599
  C      -6.625071     -0.900919      5.400909
  C      -5.514984     -0.066389      5.960479
  O      -4.589262     -0.603096      6.559425
  C      -5.503267      1.452898      5.717137
  C      -6.456901     -2.294389      5.401644
  H      -3.144872     -7.392857      3.607772
  H      -4.674691     -6.459337      3.791520
  H      -3.952325     -6.677761      2.177592
  H      -5.205086     -4.770008      1.903375
  H      -6.166984     -2.528642      1.364464
  H      -0.877977     -0.784769      4.242091
  H      -1.921747     -1.183698      5.613760
  H      -2.100697     -2.906747      4.193293
  H      -5.755973     12.486617      3.358872
  H      -6.543887     11.805664      1.924491
  H      -5.075786     12.820225      1.734064
  H      -7.038935     10.554174      3.924719
  H      -7.747735      8.538967      5.206439
  H      -4.116152      5.728661      6.111811
  H      -4.749615      4.540214      4.974637
  H      -3.435934      8.504063      2.737731
  H      -9.093379     -5.478911      4.829460
  H      -7.783809     -6.599295      4.334288
  H      -8.371373     -5.322231      3.220415
  H      -9.327117     -3.273762      3.843231
  H      -9.674423     -0.807015      3.838920
  H      -6.366231      1.892911      6.251654
  H      -5.705145      1.623805      4.648919
  H      -5.544958     -2.704401      5.838729
  N      -2.272449      2.990075      3.132406
  H      -2.262165      3.979045      2.876610
  H      -2.360407      2.377516      2.320992
89
Coordinates from ORCA-job orca E -6507.347260590289
  N      -1.522170      0.890635      5.392281
  Mo     -2.696635      2.424020      5.003817
  N      -4.276179      2.075229      6.136222
  C      -4.120974      2.324976      7.572256
  C      -2.682537      2.055047      8.004866
  N      -1.740292      2.773646      7.096614
  C      -0.377903      2.185359      7.069832
  C      -0.430357      0.850180      6.350338
  C      -1.647250      4.223889      7.432630
  C      -1.603471      4.970476      6.102114
  N      -2.689200      4.420544      5.322180
  H       0.530856      0.646553      5.845877
  H      -0.592185      0.020820      7.066918
  H       0.263830      2.889962      6.523431
  H       0.017312      2.084458      8.093686
  H      -1.702277      6.059008      6.243654
  H      -0.636363      4.799698      5.600049
  H      -2.545816      4.516520      7.991071
  H      -0.766236      4.406399      8.067586
  H      -4.774453      1.656840      8.155659
  H      -4.420688      3.362425      7.817602
  H      -2.481864      0.979575      7.927701
  H      -2.514228      2.372553      9.047877
  C      -3.700935     -6.525406      3.192941
  C      -2.920835     -5.258084      3.417485
  O      -1.799212     -5.256989      3.911249
  C      -3.572869     -3.951006      3.051247
  C      -4.730511     -3.860673      2.260795
  C      -5.293121     -2.620211      1.967431
  C      -4.716574     -1.471649      2.490170
  F      -5.307053     -0.296793      2.210133
  C      -3.558236     -1.512886      3.303574
  C      -2.976422     -0.334020      3.926302
  O      -3.480622      0.812886      3.785827
  C      -1.763710     -0.408898      4.792583
  C      -3.002582     -2.782299      3.548074
  C      -5.528499     12.060421      2.287392
  C      -4.638112     10.847515      2.416072
  O      -3.532173     10.806968      1.889679
  C      -5.139169      9.675151      3.211925
  C      -6.373469      9.684188      3.884805
  C      -6.788319      8.574922      4.616932
  C      -5.958259      7.462847      4.678890
  F      -6.397679      6.392447      5.387851
  C      -4.719598      7.401697      4.020208
  C      -3.788829      6.231835      4.046356
  O      -2.944963      6.097617      3.168846
  C      -3.876971      5.218164      5.201099
  C      -4.340306      8.531255      3.282599
  C      -8.102143     -5.587616      4.289505
  C      -7.061409     -4.642460      4.839498
  O      -5.978288     -5.056840      5.243786
  C      -7.369607     -3.175803      4.862534
  C      -8.549280     -2.645549      4.308117
  C      -8.771199     -1.272821      4.302996
  C      -7.809331     -0.431486      4.851292
  F      -8.063739      0.895886      4.824690
  C      -6.620126     -0.909976      5.427606
  C      -5.517201     -0.065978      5.990333
  O      -4.589315     -0.597252      6.590319
  C      -5.515406      1.452619      5.748421
  C      -6.435657     -2.300601      5.420492
  H      -3.117587     -7.381043      3.548431
  H      -4.655785     -6.464082      3.740964
  H      -3.933785     -6.661420      2.125340
  H      -5.202792     -4.762184      1.869891
  H      -6.187388     -2.527114      1.350901
  H      -0.897913     -0.761857      4.194968
  H      -1.917411     -1.169527      5.583290
  H      -2.108120     -2.889346      4.163056
  H      -5.741121     12.492064      3.277937
  H      -6.495780     11.789005      1.837154
  H      -5.029553     12.809009      1.663344
  H      -7.022502     10.559233      3.842453
  H      -7.746747      8.557165      5.136532
  H      -4.118213      5.751401      6.140414
  H      -4.750201      4.575874      4.991477
  H      -3.386507      8.515396      2.752533
  H      -9.042434     -5.507320      4.856411
  H      -7.726040     -6.614218      4.349252
  H      -8.336300     -5.342703      3.241657
  H      -9.302131     -3.301946      3.871073
  H      -9.677937     -0.839375      3.880197
  H      -6.375727      1.888321      6.290554
  H      -5.721364      1.627204      4.682152
  H      -5.517777     -2.702944      5.851797
  N      -2.437728      3.040559      3.142905
  H      -2.471322      4.035881      2.911040
  H      -2.563082      2.436415      2.330264
89
Coordinates from ORCA-job orca E -6507.349069847475
  N      -1.520192      0.903185      5.361828
  Mo     -2.717234      2.435145      5.019786
  N      -4.282322      2.080942      6.158221
  C      -4.121670      2.310737      7.598386
  C      -2.685208      2.024587      8.020880
  N      -1.744996      2.753709      7.121636
  C      -0.384815      2.164799      7.076590
  C      -0.439996      0.843969      6.334111
  C      -1.648932      4.198269      7.474001
  C      -1.598591      4.961231      6.154050
  N      -2.682018      4.423067      5.363992
  H       0.526197      0.644510      5.837489
  H      -0.615027      0.002869      7.033211
  H       0.253774      2.879585      6.539798
  H       0.017329      2.045188      8.095834
  H      -1.696188      6.047938      6.308561
  H      -0.629970      4.796218      5.653017
  H      -2.548276      4.486296      8.033117
  H      -0.769141      4.371451      8.113375
  H      -4.780388      1.640410      8.172453
  H      -4.412176      3.347721      7.854633
  H      -2.491504      0.949491      7.923059
  H      -2.511533      2.322289      9.068989
  C      -3.675190     -6.518636      3.161475
  C      -2.905769     -5.246880      3.392715
  O      -1.787619     -5.239036      3.893667
  C      -3.564241     -3.942550      3.027539
  C      -4.722353     -3.856403      2.237674
  C      -5.294898     -2.619775      1.949509
  C      -4.727295     -1.468710      2.477412
  F      -5.326115     -0.296583      2.205136
  C      -3.567858     -1.505924      3.288242
  C      -2.992667     -0.326422      3.916668
  O      -3.514814      0.814513      3.800230
  C      -1.767622     -0.395841      4.764382
  C      -3.001706     -2.771816      3.527664
  C      -5.526770     12.043513      2.223510
  C      -4.627810     10.840410      2.375068
  O      -3.518501     10.800649      1.856333
  C      -5.124022      9.675173      3.184918
  C      -6.362237      9.684198      3.849823
  C      -6.774313      8.583325      4.595799
  C      -5.936073      7.478666      4.678467
  F      -6.371325      6.416086      5.401638
  C      -4.693510      7.417889      4.027267
  C      -3.754378      6.254182      4.071198
  O      -2.895824      6.126575      3.206672
  C      -3.857825      5.237544      5.222393
  C      -4.316653      8.539245      3.276478
  C      -8.094836     -5.587609      4.300777
  C      -7.050620     -4.642495      4.842235
  O      -5.962563     -5.054858      5.234201
  C      -7.360139     -3.175908      4.871088
  C      -8.542319     -2.646057      4.323209
  C      -8.768566     -1.274095      4.323293
  C      -7.806588     -0.433483      4.872142
  F      -8.062130      0.894062      4.852245
  C      -6.614870     -0.912546      5.442560
  C      -5.514633     -0.066306      6.009444
  O      -4.588475     -0.596038      6.613157
  C      -5.519081      1.451496      5.770152
  C      -6.425409     -2.301862      5.429419
  H      -3.084531     -7.370675      3.513130
  H      -4.630184     -6.469033      3.709503
  H      -3.907782     -6.651614      2.093689
  H      -5.188120     -4.759583      1.843137
  H      -6.190066     -2.531260      1.333971
  H      -0.908560     -0.745904      4.155851
  H      -1.909476     -1.156433      5.557410
  H      -2.107143     -2.874324      4.142647
  H      -5.749651     12.487752      3.205939
  H      -6.488980     11.758400      1.771416
  H      -5.029604     12.786785      1.591945
  H      -7.017124     10.553596      3.790103
  H      -7.735202      8.565976      5.110200
  H      -4.101245      5.772228      6.159971
  H      -4.737772      4.607628      5.004498
  H      -3.359844      8.523123      2.752467
  H      -9.030777     -5.507916      4.874388
  H      -7.717531     -6.613836      4.357586
  H      -8.337311     -5.343106      3.254959
  H      -9.294789     -3.302838      3.886531
  H      -9.677469     -0.841372      3.905147
  H      -6.378467      1.883828      6.316523
  H      -5.726772      1.628705      4.705127
  H      -5.505897     -2.703805      5.856848
  N      -2.569500      3.072706      3.154447
  H      -2.609798      4.070577      2.933919
  H      -2.729964      2.471478      2.346133
89
Coordinates from ORCA-job orca E -6507.350570911860
  N      -1.527828      0.914368      5.338457
  Mo     -2.745189      2.444793      5.036192
  N      -4.298533      2.091625      6.185093
  C      -4.131138      2.308913      7.627146
  C      -2.696379      2.007295      8.039526
  N      -1.757634      2.740449      7.143915
  C      -0.400613      2.148094      7.083946
  C      -0.461976      0.837469      6.326935
  C      -1.655511      4.180824      7.505769
  C      -1.597096      4.953978      6.193006
  N      -2.679239      4.424758      5.395230
  H       0.509717      0.634930      5.842056
  H      -0.654142     -0.009599      7.013842
  H       0.236965      2.867942      6.552556
  H       0.008068      2.014696      8.099092
  H      -1.693371      6.039341      6.356639
  H      -0.627073      4.792386      5.693561
  H      -2.555640      4.468847      8.063523
  H      -0.777467      4.345553      8.149937
  H      -4.795487      1.640807      8.196711
  H      -4.410860      3.347226      7.889099
  H      -2.511640      0.932029      7.926223
  H      -2.514165      2.290041      9.090487
  C      -3.667996     -6.512075      3.105704
  C      -2.911633     -5.237496      3.360772
  O      -1.797312     -5.227829      3.870422
  C      -3.575508     -3.933651      3.004233
  C      -4.734244     -3.847369      2.215313
  C      -5.313910     -2.612397      1.936531
  C      -4.752074     -1.462040      2.472196
  F      -5.355618     -0.290430      2.208550
  C      -3.591482     -1.499059      3.280924
  C      -3.020764     -0.320041      3.915319
  O      -3.557862      0.815393      3.820000
  C      -1.784743     -0.385013      4.746042
  C      -3.018461     -2.763630      3.512215
  C      -5.507538     12.034585      2.163040
  C      -4.606548     10.835756      2.332116
  O      -3.496770     10.790819      1.814814
  C      -5.100753      9.680566      3.157807
  C      -6.339510      9.696367      3.821093
  C      -6.750797      8.605937      4.582484
  C      -5.910441      7.504142      4.681405
  F      -6.344869      6.452105      5.420420
  C      -4.667238      7.436583      4.031754
  C      -3.724137      6.275511      4.087325
  O      -2.853692      6.153211      3.233834
  C      -3.841220      5.257475      5.234259
  C      -4.290829      8.548013      3.265922
  C      -8.037669     -5.605893      4.310292
  C      -7.000450     -4.649633      4.844699
  O      -5.905233     -5.049706      5.229505
  C      -7.327335     -3.186701      4.881230
  C      -8.516868     -2.668320      4.339483
  C      -8.760896     -1.299266      4.347505
  C      -7.808025     -0.450292      4.899023
  F      -8.080451      0.874369      4.887626
  C      -6.609249     -0.918545      5.463995
  C      -5.517515     -0.063650      6.036545
  O      -4.586969     -0.588553      6.637363
  C      -5.532450      1.453169      5.799056
  C      -6.401680     -2.304873      5.442814
  H      -3.070395     -7.363769      3.446353
  H      -4.626103     -6.482110      3.649611
  H      -3.895676     -6.630291      2.035134
  H      -5.195033     -4.750121      1.813857
  H      -6.209631     -2.524397      1.321683
  H      -0.933252     -0.736946      4.128132
  H      -1.917971     -1.144457      5.541893
  H      -2.123079     -2.865588      4.125906
  H      -5.733075     12.492187      3.138701
  H      -6.468960     11.741982      1.714026
  H      -5.010974     12.770025      1.521875
  H      -6.995617     10.563826      3.747689
  H      -7.711825      8.594249      5.096697
  H      -4.082622      5.796382      6.169839
  H      -4.729128      4.640329      5.012026
  H      -3.333533      8.526670      2.743278
  H      -8.971747     -5.535175      4.888057
  H      -7.649506     -6.628122      4.366152
  H      -8.288259     -5.365405      3.265449
  H      -9.261958     -3.332354      3.901072
  H      -9.676130     -0.875782      3.933835
  H      -6.391451      1.880729      6.349723
  H      -5.744151      1.631142      4.735229
  H      -5.476593     -2.698081      5.866132
  N      -2.691073      3.089831      3.169741
  H      -2.712303      4.086310      2.944573
  H      -2.887040      2.487008      2.371062
89
Coordinates from ORCA-job orca E -6507.351828137350
  N      -1.524182      0.931446      5.310466
  Mo     -2.770439      2.452053      5.048169
  N      -4.310158      2.091724      6.210174
  C      -4.135833      2.297483      7.653020
  C      -2.699897      1.988586      8.053804
  N      -1.768401      2.730681      7.159593
  C      -0.410879      2.143330      7.083713
  C      -0.472130      0.841975      6.314001
  C      -1.666716      4.167105      7.530673
  C      -1.604393      4.950173      6.224330
  N      -2.683692      4.424023      5.419849
  H       0.505523      0.638882      5.841155
  H      -0.677421     -0.010148      6.990349
  H       0.221053      2.870702      6.555768
  H       0.006480      1.999272      8.094036
  H      -1.705374      6.033454      6.397409
  H      -0.632615      4.796951      5.725960
  H      -2.568677      4.452057      8.086951
  H      -0.791195      4.327774      8.179316
  H      -4.801766      1.629037      8.219878
  H      -4.409243      3.335697      7.921217
  H      -2.519073      0.914319      7.925115
  H      -2.508533      2.257500      9.106842
  C      -3.622241     -6.508475      3.079247
  C      -2.875983     -5.227908      3.333155
  O      -1.763054     -5.210579      3.845838
  C      -3.551229     -3.929197      2.980970
  C      -4.713953     -3.850595      2.196991
  C      -5.306364     -2.620065      1.925972
  C      -4.753594     -1.466917      2.464592
  F      -5.369966     -0.299642      2.209492
  C      -3.588801     -1.496131      3.267829
  C      -3.029016     -0.314446      3.907457
  O      -3.587195      0.811659      3.834911
  C      -1.782130     -0.369039      4.720747
  C      -3.002715     -2.756059      3.490932
  C      -5.491485     12.023780      2.114652
  C      -4.591398     10.826152      2.295818
  O      -3.483202     10.773926      1.775674
  C      -5.084143      9.682103      3.137349
  C      -6.321244      9.707222      3.803282
  C      -6.730893      8.627140      4.579804
  C      -5.891147      7.526116      4.691020
  F      -6.325469      6.485281      5.445853
  C      -4.649329      7.449084      4.039336
  C      -3.703642      6.290243      4.103318
  O      -2.824457      6.170284      3.258159
  C      -3.834100      5.271147      5.244695
  C      -4.274323      8.550803      3.258311
  C      -8.057668     -5.606205      4.315936
  C      -7.011924     -4.655279      4.843130
  O      -5.912173     -5.059924      5.209588
  C      -7.334052     -3.191759      4.887786
  C      -8.526277     -2.668331      4.357365
  C      -8.767302     -1.298851      4.373567
  C      -7.809044     -0.454985      4.922789
  F      -8.078098      0.870677      4.919191
  C      -6.607541     -0.928041      5.476709
  C      -5.512970     -0.075932      6.048193
  O      -4.580364     -0.601742      6.645088
  C      -5.539745      1.442170      5.825267
  C      -6.401807     -2.314594      5.446797
  H      -3.014823     -7.355484      3.413984
  H      -4.576775     -6.489882      3.629404
  H      -3.856212     -6.625917      2.010004
  H      -5.167627     -4.755852      1.793335
  H      -6.205342     -2.538033      1.315120
  H      -0.935997     -0.717008      4.093571
  H      -1.903061     -1.130243      5.517074
  H      -2.104876     -2.852176      4.101923
  H      -5.714309     12.493542      3.085075
  H      -6.454493     11.727187      1.671815
  H      -4.995933     12.750957      1.463426
  H      -6.976773     10.574091      3.719668
  H      -7.690278      8.622793      5.097064
  H      -4.071567      5.814313      6.178918
  H      -4.728790      4.664598      5.020722
  H      -3.318230      8.522567      2.734163
  H      -8.986260     -5.533562      4.902029
  H      -7.673098     -6.630096      4.365016
  H      -8.317011     -5.361921      3.274088
  H      -9.275657     -3.328930      3.921253
  H      -9.684402     -0.871584      3.968178
  H      -6.398858      1.859111      6.383958
  H      -5.758622      1.627157      4.764260
  H      -5.475005     -2.711980      5.861943
  N      -2.800790      3.104652      3.184203
  H      -2.795814      4.097415      2.946127
  H      -3.025855      2.499501      2.395379
89
Coordinates from ORCA-job orca E -6507.352854674564
  N      -1.550325      0.948459      5.290702
  Mo     -2.820685      2.459888      5.064730
  N      -4.344806      2.096710      6.247648
  C      -4.156970      2.296800      7.689337
  C      -2.717994      1.981481      8.074065
  N      -1.796491      2.727415      7.173498
  C      -0.439191      2.142764      7.079087
  C      -0.507445      0.846882      6.304051
  C      -1.690486      4.161784      7.547670
  C      -1.625893      4.948480      6.243535
  N      -2.707750      4.426550      5.437779
  H       0.472715      0.635877      5.839667
  H      -0.726034     -0.005481      6.975852
  H       0.185921      2.873641      6.547685
  H      -0.008919      1.992686      8.083274
  H      -1.727182      6.030848      6.421435
  H      -0.654348      4.797405      5.744278
  H      -2.591519      4.449504      8.104177
  H      -0.814730      4.318559      8.197179
  H      -4.821450      1.630209      8.260021
  H      -4.422733      3.335736      7.962412
  H      -2.542689      0.907510      7.934459
  H      -2.512748      2.241233      9.126877
  C      -3.609397     -6.501703      3.003921
  C      -2.881438     -5.216646      3.289089
  O      -1.768933     -5.196479      3.803231
  C      -3.569324     -3.920366      2.954209
  C      -4.736718     -3.844437      2.176732
  C      -5.341165     -2.616258      1.921654
  C      -4.794974     -1.464127      2.468541
  F      -5.421175     -0.299512      2.224818
  C      -3.625312     -1.490416      3.265312
  C      -3.072405     -0.308111      3.911110
  O      -3.647977      0.809454      3.861003
  C      -1.813250     -0.353933      4.704671
  C      -3.028073     -2.747492      3.473319
  C      -5.416116     12.039716      2.064957
  C      -4.530798     10.832499      2.257106
  O      -3.423715     10.761926      1.736331
  C      -5.036771      9.702973      3.110199
  C      -6.273739      9.749001      3.775593
  C      -6.694543      8.681516      4.563417
  C      -5.867246      7.572256      4.686604
  F      -6.314143      6.545711      5.453440
  C      -4.626058      7.473911      4.036390
  C      -3.689724      6.307650      4.111049
  O      -2.798748      6.182759      3.279131
  C      -3.843672      5.291636      5.250029
  C      -4.239592      8.563983      3.243820
  C      -7.960693     -5.651319      4.322066
  C      -6.930373     -4.681041      4.845371
  O      -5.820783     -5.065453      5.204624
  C      -7.284289     -3.225426      4.904951
  C      -8.490246     -2.722582      4.385394
  C      -8.759974     -1.358541      4.416528
  C      -7.817300     -0.499436      4.969233
  F      -8.116517      0.819759      4.979733
  C      -6.602935     -0.951727      5.512824
  C      -5.521584     -0.084932      6.087651
  O      -4.573524     -0.600614      6.668749
  C      -5.570528      1.433199      5.871756
  C      -6.368505     -2.333564      5.468285
  H      -2.990182     -7.347899      3.318857
  H      -4.564697     -6.510540      3.553561
  H      -3.841820     -6.597084      1.931964
  H      -5.184250     -4.749602      1.765774
  H      -6.243654     -2.535643      1.315514
  H      -0.974508     -0.700633      4.067217
  H      -1.921853     -1.116367      5.501910
  H      -2.125868     -2.842161      4.078492
  H      -5.632885     12.521464      3.031092
  H      -6.383166     11.751134      1.625139
  H      -4.911955     12.754772      1.406792
  H      -6.919613     10.622312      3.682404
  H      -7.653762      8.693248      5.081280
  H      -4.074769      5.842614      6.181625
  H      -4.747968      4.699642      5.026209
  H      -3.283335      8.519939      2.720836
  H      -8.888084     -5.597413      4.912417
  H      -7.556441     -6.667869      4.367117
  H      -8.229591     -5.410347      3.281638
  H      -9.227536     -3.394961      3.946318
  H      -9.688167     -0.947143      4.019580
  H      -6.428727      1.837185      6.441022
  H      -5.802779      1.620300      4.813917
  H      -5.431136     -2.715491      5.874596
  N      -2.932445      3.112045      3.205640
  H      -2.890473      4.098470      2.947533
  H      -3.190383      2.503629      2.429592
89
Coordinates from ORCA-job orca E -6507.353680016695
  N      -1.568731      0.970046      5.266491
  Mo     -2.867733      2.465827      5.076910
  N      -4.374591      2.090741      6.278219
  C      -4.175420      2.283089      7.719066
  C      -2.732100      1.968009      8.088662
  N      -1.824504      2.723375      7.183009
  C      -0.464471      2.148858      7.069753
  C      -0.534066      0.858657      6.288490
  C      -1.720562      4.155493      7.562307
  C      -1.654949      4.947132      6.261013
  N      -2.737407      4.427887      5.452473
  H       0.448647      0.642590      5.831842
  H      -0.763521      0.005162      6.955166
  H       0.149337      2.886683      6.534777
  H      -0.020318      1.994667      8.067296
  H      -1.759770      6.028048      6.444624
  H      -0.682867      4.801135      5.761760
  H      -2.622200      4.442276      8.118240
  H      -0.845633      4.311323      8.213290
  H      -4.835320      1.614198      8.292280
  H      -4.438413      3.320651      7.999588
  H      -2.557089      0.895528      7.937588
  H      -2.515795      2.218929      9.141406
  C      -3.560370     -6.494334      2.951400
  C      -2.846123     -5.201742      3.239414
  O      -1.733749     -5.171724      3.753277
  C      -3.552671     -3.912140      2.918772
  C      -4.727079     -3.845601      2.151037
  C      -5.348889     -2.622849      1.910366
  C      -4.813052     -1.468353      2.462247
  F      -5.455664     -0.310001      2.230691
  C      -3.637069     -1.485617      3.250072
  C      -3.096974     -0.301094      3.903367
  O      -3.695380      0.804128      3.879243
  C      -1.826446     -0.333483      4.677929
  C      -3.022527     -2.736319      3.442907
  C      -5.341511     12.058725      2.027487
  C      -4.471360     10.841755      2.228961
  O      -3.364906     10.753975      1.709405
  C      -4.992272      9.724933      3.089390
  C      -6.230709      9.789773      3.750929
  C      -6.664224      8.732598      4.545520
  C      -5.849640      7.615184      4.679788
  F      -6.311025      6.600609      5.453714
  C      -4.607256      7.498013      4.034772
  C      -3.680760      6.324710      4.121607
  O      -2.777500      6.194208      3.304032
  C      -3.861408      5.308246      5.255806
  C      -4.208095      8.578594      3.234989
  C      -7.935809     -5.686489      4.345802
  C      -6.907018     -4.709807      4.860960
  O      -5.788316     -5.086153      5.199612
  C      -7.271940     -3.257579      4.929590
  C      -8.488283     -2.762666      4.426164
  C      -8.768187     -1.401047      4.466758
  C      -7.826444     -0.536431      5.012490
  F      -8.137189      0.779847      5.032803
  C      -6.601712     -0.980272      5.539329
  C      -5.522010     -0.106670      6.106015
  O      -4.563215     -0.615409      6.675625
  C      -5.594898      1.413089      5.908421
  C      -6.356950     -2.360207      5.485287
  H      -2.927621     -7.334946      3.254045
  H      -4.509303     -6.519222      3.511190
  H      -3.802584     -6.584769      1.881238
  H      -5.166005     -4.753110      1.736131
  H      -6.256662     -2.548865      1.311325
  H      -0.991690     -0.670327      4.030516
  H      -1.918933     -1.100530      5.472866
  H      -2.115208     -2.824475      4.041533
  H      -5.553256     12.549610      2.990141
  H      -6.311444     11.779038      1.588244
  H      -4.827836     12.763082      1.365183
  H      -6.866966     10.669067      3.648910
  H      -7.624480      8.758402      5.061018
  H      -4.088360      5.863122      6.186181
  H      -4.773452      4.730172      5.029162
  H      -3.250458      8.520420      2.715864
  H      -8.857571     -5.641038      4.945522
  H      -7.523620     -6.700138      4.383594
  H      -8.216680     -5.444723      3.308636
  H      -9.225208     -3.439160      3.992923
  H      -9.704350     -0.995543      4.082597
  H      -6.452428      1.798359      6.491510
  H      -5.841977      1.608926      4.855616
  H      -5.411860     -2.736534      5.878835
  N      -3.055159      3.123914      3.226288
  H      -2.976360      4.103380      2.951833
  H      -3.338481      2.515561      2.459169
89
Coordinates from ORCA-job orca E -6507.354329315536
  N      -1.599674      0.990482      5.250498
  Mo     -2.923056      2.471279      5.097369
  N      -4.409250      2.083092      6.321021
  C      -4.193746      2.270203      7.759918
  C      -2.745051      1.958103      8.110879
  N      -1.854291      2.720645      7.195542
  C      -0.492452      2.154801      7.060171
  C      -0.568504      0.868553      6.275849
  C      -1.750195      4.151501      7.577293
  C      -1.685812      4.945159      6.277282
  N      -2.772537      4.430796      5.469839
  H       0.413767      0.643752      5.822607
  H      -0.808276      0.015999      6.940126
  H       0.108234      2.897729      6.517472
  H      -0.031154      1.999177      8.049655
  H      -1.790069      6.025433      6.464261
  H      -0.715053      4.799998      5.775649
  H      -2.650727      4.439014      8.134506
  H      -0.874051      4.306449      8.227024
  H      -4.845775      1.598581      8.338916
  H      -4.454782      3.306114      8.048006
  H      -2.569599      0.886933      7.951679
  H      -2.515457      2.204153      9.161935
  C      -3.525177     -6.481248      2.878820
  C      -2.829399     -5.182541      3.185773
  O      -1.714418     -5.144310      3.693123
  C      -3.554363     -3.898604      2.883938
  C      -4.736278     -3.839119      2.127361
  C      -5.375132     -2.621525      1.904642
  C      -4.848153     -1.466088      2.463124
  F      -5.505313     -0.313173      2.245878
  C      -3.665425     -1.476800      3.240667
  C      -3.135774     -0.292027      3.902867
  O      -3.755666      0.800654      3.907825
  C      -1.852455     -0.312489      4.655627
  C      -3.033993     -2.721434      3.415019
  C      -5.254980     12.074762      1.975473
  C      -4.402525     10.847164      2.189084
  O      -3.296910     10.738824      1.671710
  C      -4.940324      9.746432      3.059651
  C      -6.180449      9.833761      3.715886
  C      -6.629414      8.789964      4.519338
  C      -5.829661      7.663575      4.667950
  F      -6.307257      6.663705      5.450891
  C      -4.585973      7.524229      4.029701
  C      -3.672923      6.341758      4.133391
  O      -2.757332      6.200527      3.331785
  C      -3.883360      5.327309      5.265147
  C      -4.171246      8.592301      3.220956
  C      -7.870508     -5.727925      4.350085
  C      -6.851646     -4.739906      4.863830
  O      -5.724835     -5.102231      5.190269
  C      -7.239006     -3.294631      4.951629
  C      -8.467545     -2.813224      4.464280
  C      -8.767424     -1.456599      4.522615
  C      -7.834271     -0.583365      5.069735
  F      -8.164943      0.727539      5.107363
  C      -6.598038     -1.013686      5.580521
  C      -5.526609     -0.129592      6.145378
  O      -4.552680     -0.629098      6.697239
  C      -5.625235      1.390956      5.963379
  C      -6.333349     -2.389161      5.508789
  H      -2.876514     -7.317076      3.160163
  H      -4.467844     -6.531439      3.447145
  H      -3.775967     -6.555572      1.809479
  H      -5.167848     -4.747759      1.707346
  H      -6.288695     -2.552584      1.313924
  H      -1.022885     -0.636721      3.995734
  H      -1.926331     -1.085889      5.446411
  H      -2.120966     -2.804765      4.005654
  H      -5.460527     12.577246      2.933453
  H      -6.228153     11.804783      1.537408
  H      -4.730498     12.765604      1.307476
  H      -6.805393     10.719653      3.602380
  H      -7.590915      8.832682      5.031375
  H      -4.106379      5.886776      6.193731
  H      -4.803129      4.764293      5.034963
  H      -3.212113      8.517029      2.706741
  H      -8.789171     -5.698784      4.955442
  H      -7.443892     -6.735864      4.379325
  H      -8.160573     -5.484223      3.315883
  H      -9.197800     -3.496093      4.029860
  H      -9.712925     -1.061143      4.151082
  H      -6.479339      1.757049      6.563595
  H      -5.892325      1.594043      4.916866
  H      -5.378933     -2.755358      5.889232
  N      -3.187833      3.133099      3.258012
  H      -3.068625      4.103707      2.968569
  H      -3.500988      2.527057      2.500814
89
Coordinates from ORCA-job orca E -6507.354831179690
  N      -1.639245      1.009759      5.239089
  Mo     -2.983917      2.476344      5.120810
  N      -4.448533      2.074834      6.365053
  C      -4.218056      2.256833      7.802496
  C      -2.764396      1.950262      8.135778
  N      -1.890424      2.718712      7.210138
  C      -0.527375      2.159990      7.053546
  C      -0.610879      0.877044      6.266826
  C      -1.785882      4.148867      7.592641
  C      -1.720599      4.942700      6.293495
  N      -2.811844      4.433901      5.487291
  H       0.370368      0.642774      5.816244
  H      -0.861623      0.025954      6.928994
  H       0.060525      2.906942      6.502554
  H      -0.049629      2.004122      8.035120
  H      -1.822012      6.022847      6.482232
  H      -0.751177      4.796155      5.790034
  H      -2.686247      4.437362      8.149514
  H      -0.909204      4.303359      8.242028
  H      -4.861423      1.580919      8.386150
  H      -4.479533      3.290410      8.098076
  H      -2.587098      0.880305      7.970884
  H      -2.522881      2.194157      9.184651
  C      -3.493318     -6.461303      2.791343
  C      -2.814236     -5.157393      3.114026
  O      -1.700127     -5.110693      3.622157
  C      -3.560442     -3.879451      2.838471
  C      -4.750777     -3.825685      2.094946
  C      -5.407929     -2.613902      1.894415
  C      -4.890126     -1.458734      2.462413
  F      -5.561927     -0.311225      2.263736
  C      -3.700276     -1.464517      3.228419
  C      -3.180336     -0.281465      3.902113
  O      -3.820822      0.797918      3.938290
  C      -1.884464     -0.290460      4.632728
  C      -3.050692     -2.702524      3.380406
  C      -5.154797     12.091382      1.917494
  C      -4.322764     10.852301      2.145343
  O      -3.219518     10.719013      1.628945
  C      -4.879601      9.770176      3.027468
  C      -6.120867      9.883656      3.677812
  C      -6.588498      8.855773      4.490924
  C      -5.806561      7.718873      4.655039
  F      -6.303004      6.735672      5.447008
  C      -4.562124      7.553964      4.024039
  C      -3.666936      6.359255      4.144916
  O      -2.737120      6.206509      3.362469
  C      -3.908437      5.347146      5.274267
  C      -4.128577      8.607041      3.205721
  C      -7.785403     -5.779239      4.362288
  C      -6.782408     -4.776207      4.878088
  O      -5.643889     -5.117569      5.185562
  C      -7.197601     -3.339581      4.983259
  C      -8.441554     -2.878375      4.515583
  C      -8.767729     -1.528717      4.590952
  C      -7.845182     -0.641817      5.134609
  F      -8.202489      0.661240      5.191073
  C      -6.593717     -1.052120      5.625128
  C      -5.531932     -0.152994      6.184391
  O      -4.542522     -0.639896      6.719623
  C      -5.659583      1.367594      6.019260
  C      -6.303389     -2.421395      5.537213
  H      -2.829659     -7.291722      3.053003
  H      -4.429139     -6.534652      3.368301
  H      -3.753490     -6.521771      1.723532
  H      -5.174382     -4.734281      1.666748
  H      -6.327572     -2.549274      1.312741
  H      -1.059905     -0.597336      3.958824
  H      -1.937998     -1.072516      5.416591
  H      -2.130929     -2.781441      3.961093
  H      -5.351827     12.607990      2.869710
  H      -6.132108     11.832389      1.482074
  H      -4.618729     12.765637      1.241789
  H      -6.732021     10.777449      3.551918
  H      -7.551006      8.918330      4.999003
  H      -4.128776      5.909807      6.201436
  H      -4.834904      4.799590      5.037210
  H      -3.168342      8.511685      2.696786
  H      -8.700457     -5.774009      4.973604
  H      -7.338456     -6.778639      4.379299
  H      -8.086503     -5.531883      3.332050
  H      -9.163613     -3.571632      4.083920
  H      -9.725716     -1.148701      4.235642
  H      -6.509249      1.712288      6.638102
  H      -5.947420      1.578717      4.980053
  H      -5.337068     -2.772189      5.901928
  N      -3.320971      3.144121      3.293387
  H      -3.159616      4.104523      2.991645
  H      -3.661442      2.543097      2.544334
89
Coordinates from ORCA-job orca E -6507.355176422103
  N      -1.672976      1.027753      5.237803
  Mo     -3.034132      2.481929      5.152088
  N      -4.480106      2.061809      6.412605
  C      -4.236681      2.238061      7.848302
  C      -2.778397      1.939818      8.166516
  N      -1.919548      2.714424      7.232558
  C      -0.556218      2.160987      7.057256
  C      -0.647362      0.882180      6.266716
  C      -1.813915      4.143285      7.617847
  C      -1.745344      4.938615      6.320428
  N      -2.840271      4.438616      5.513150
  H       0.332475      0.638713      5.818259
  H      -0.909010      0.032045      6.925948
  H       0.021166      2.911458      6.500150
  H      -0.064789      2.003891      8.031773
  H      -1.841521      6.018738      6.511737
  H      -0.777106      4.789494      5.815635
  H      -2.715240      4.431550      8.173237
  H      -0.938090      4.295228      8.269156
  H      -4.870749      1.555691      8.434668
  H      -4.501890      3.268326      8.151882
  H      -2.596866      0.871298      7.997559
  H      -2.527261      2.183242      9.213174
  C      -3.468357     -6.428908      2.694542
  C      -2.805328     -5.123336      3.041696
  O      -1.685117     -5.071736      3.535270
  C      -3.566984     -3.849558      2.790030
  C      -4.764455     -3.798005      2.058132
  C      -5.436166     -2.590949      1.879890
  C      -4.925282     -1.438031      2.458662
  F      -5.608762     -0.294235      2.279792
  C      -3.729319     -1.442412      3.214747
  C      -3.217646     -0.263985      3.903164
  O      -3.876668      0.802001      3.972188
  C      -1.910497     -0.265827      4.613414
  C      -3.064705     -2.674952      3.343514
  C      -5.083973     12.085384      1.840345
  C      -4.262864     10.842975      2.088131
  O      -3.159007     10.693395      1.577735
  C      -4.830078      9.779824      2.986358
  C      -6.074388      9.911630      3.627383
  C      -6.553474      8.900415      4.454350
  C      -5.780022      7.761289      4.641309
  F      -6.287346      6.794561      5.446459
  C      -4.532327      7.579012      4.021358
  C      -3.646076      6.380873      4.167556
  O      -2.704018      6.215485      3.402234
  C      -3.920480      5.369337      5.290501
  C      -4.086976      8.615855      3.189041
  C      -7.723903     -5.820025      4.372184
  C      -6.728810     -4.806982      4.883217
  O      -5.584282     -5.135940      5.181187
  C      -7.164370     -3.378090      5.009888
  C      -8.421120     -2.930804      4.563674
  C      -8.766833     -1.587329      4.658530
  C      -7.850862     -0.692509      5.200168
  F      -8.227356      0.604192      5.277722
  C      -6.586929     -1.089108      5.669119
  C      -5.532194     -0.179420      6.224236
  O      -4.531962     -0.656078      6.748433
  C      -5.685302      1.340766      6.075788
  C      -6.277064     -2.452658      5.562604
  H      -2.788598     -7.255059      2.926368
  H      -4.394024     -6.530919      3.282917
  H      -3.743133     -6.466676      1.629525
  H      -5.182532     -4.705050      1.621443
  H      -6.361167     -2.528158      1.306720
  H      -1.091145     -0.552408      3.924740
  H      -1.944507     -1.060190      5.385947
  H      -2.139932     -2.752384      3.916136
  H      -5.278588     12.617493      2.784348
  H      -6.062342     11.828044      1.406706
  H      -4.540898     12.745007      1.155945
  H      -6.679149     10.806901      3.483236
  H      -7.518263      8.977124      4.955885
  H      -4.142226      5.933095      6.216510
  H      -4.852137      4.837597      5.040322
  H      -3.124144      8.506367      2.688076
  H      -8.634238     -5.828728      4.990184
  H      -7.264480     -6.813817      4.381547
  H      -8.035606     -5.572236      3.345318
  H      -9.138146     -3.630154      4.133765
  H      -9.735088     -1.217971      4.320551
  H      -6.530915      1.665332      6.710981
  H      -5.992087      1.559247      5.043683
  H      -5.301064     -2.792700      5.910970
  N      -3.437192      3.155197      3.339875
  H      -3.232605      4.103330      3.027100
  H      -3.804715      2.560824      2.598497
89
Coordinates from ORCA-job orca E -6507.355390406119
  N      -1.716475      1.043432      5.236721
  Mo     -3.096498      2.482937      5.187694
  N      -4.515546      2.051285      6.469441
  C      -4.257687      2.225506      7.903579
  C      -2.794298      1.935668      8.203155
  N      -1.954427      2.713091      7.256003
  C      -0.591391      2.164486      7.058628
  C      -0.689668      0.889148      6.264046
  C      -1.848020      4.141830      7.639060
  C      -1.780504      4.934886      6.341347
  N      -2.881876      4.438367      5.538718
  H       0.288286      0.641326      5.813919
  H      -0.956769      0.038322      6.920269
  H      -0.026059      2.917984      6.493615
  H      -0.084040      2.007026      8.024818
  H      -1.871735      6.015317      6.532615
  H      -0.814984      4.783304      5.832325
  H      -2.749857      4.430423      8.193547
  H      -0.971729      4.295396      8.289661
  H      -4.881312      1.537575      8.494359
  H      -4.526504      3.252977      8.212661
  H      -2.609668      0.867945      8.033087
  H      -2.531088      2.182199      9.246094
  C      -3.436037     -6.402198      2.592484
  C      -2.789756     -5.093288      2.958965
  O      -1.670506     -5.034105      3.453533
  C      -3.573950     -3.826633      2.740586
  C      -4.781638     -3.780070      2.025473
  C      -5.473437     -2.580415      1.876060
  C      -4.971213     -1.429570      2.466970
  F      -5.671320     -0.292409      2.314507
  C      -3.765854     -1.429752      3.207287
  C      -3.262171     -0.255091      3.909277
  O      -3.940023      0.795015      4.013203
  C      -1.941678     -0.243896      4.593875
  C      -3.081482     -2.654013      3.307382
  C      -4.994969     12.069268      1.747585
  C      -4.197384     10.814929      2.011523
  O      -3.106289     10.627745      1.486449
  C      -4.774839      9.784125      2.940919
  C      -6.008864      9.955568      3.592352
  C      -6.499582      8.972881      4.446376
  C      -5.747934      7.821766      4.649502
  F      -6.266513      6.884107      5.480892
  C      -4.510631      7.600731      4.020897
  C      -3.648402      6.387001      4.182266
  O      -2.699909      6.201399      3.429691
  C      -3.946716      5.386261      5.309425
  C      -4.053042      8.610253      3.162092
  C      -7.631952     -5.850464      4.344016
  C      -6.657202     -4.827873      4.874701
  O      -5.501970     -5.135825      5.152724
  C      -7.122035     -3.410966      5.032077
  C      -8.393211     -2.982332      4.609157
  C      -8.766355     -1.648476      4.733377
  C      -7.862450     -0.744364      5.280300
  F      -8.263621      0.542678      5.386357
  C      -6.584977     -1.123040      5.726597
  C      -5.542386     -0.201517      6.284689
  O      -4.527009     -0.667451      6.789105
  C      -5.718712      1.317159      6.148930
  C      -6.247902     -2.477392      5.591607
  H      -2.741244     -7.221956      2.801285
  H      -4.353316     -6.530344      3.188722
  H      -3.722116     -6.423475      1.530192
  H      -5.192330     -4.685594      1.578689
  H      -6.406285     -2.521815      1.315367
  H      -1.129776     -0.503700      3.886390
  H      -1.949057     -1.050759      5.354004
  H      -2.148358     -2.726685      3.866812
  H      -5.162132     12.627136      2.681916
  H      -5.985555     11.823807      1.335335
  H      -4.448661     12.700513      1.039395
  H      -6.596871     10.859916      3.435637
  H      -7.456598      9.080451      4.956999
  H      -4.160443      5.956560      6.233177
  H      -4.885589      4.870244      5.056252
  H      -3.097869      8.469950      2.654118
  H      -8.539837     -5.893124      4.964074
  H      -7.150776     -6.833872      4.329804
  H      -7.951633     -5.586468      3.323588
  H      -9.100534     -3.688608      4.174465
  H      -9.746187     -1.293456      4.413986
  H      -6.554665      1.624421      6.804846
  H      -6.047920      1.541108      5.125167
  H      -5.260852     -2.802997      5.922018
  N      -3.566184      3.170445      3.389525
  H      -3.318025      4.105084      3.067691
  H      -3.955477      2.585422      2.652274
89
Coordinates from ORCA-job orca E -6507.355493865869
  N      -1.739335      1.060438      5.244578
  Mo     -3.133048      2.486561      5.223731
  N      -4.533571      2.029515      6.518120
  C      -4.261921      2.199968      7.950026
  C      -2.792946      1.925369      8.235243
  N      -1.968781      2.710773      7.280255
  C      -0.605687      2.168836      7.065946
  C      -0.708264      0.898625      6.266089
  C      -1.862766      4.138846      7.665523
  C      -1.796150      4.932936      6.368264
  N      -2.901626      4.443979      5.566209
  H       0.267260      0.650093      5.811496
  H      -0.975123      0.045402      6.919494
  H      -0.049813      2.926991      6.497884
  H      -0.086591      2.009477      8.025557
  H      -1.881993      6.013532      6.561286
  H      -0.832545      4.779287      5.856025
  H      -2.765390      4.425138      8.220106
  H      -0.986952      4.291056      8.317230
  H      -4.872896      1.502825      8.543369
  H      -4.539105      3.223019      8.266498
  H      -2.599282      0.859469      8.063961
  H      -2.521840      2.175073      9.275395
  C      -3.381077     -6.367374      2.500186
  C      -2.755684     -5.055168      2.889588
  O      -1.638269     -4.987884      3.387281
  C      -3.562356     -3.797902      2.701750
  C      -4.777745     -3.757721      1.999595
  C      -5.488979     -2.566626      1.876890
  C      -4.997991     -1.417894      2.480923
  F      -5.714940     -0.288309      2.352011
  C      -3.785454     -1.412172      3.209637
  C      -3.289922     -0.240459      3.923426
  O      -3.983781      0.795428      4.056370
  C      -1.957160     -0.219523      4.584614
  C      -3.082092     -2.627482      3.283446
  C      -4.948237     12.042145      1.661434
  C      -4.157916     10.788269      1.947665
  O      -3.068282     10.585224      1.425299
  C      -4.740580      9.778412      2.896172
  C      -5.975033      9.967285      3.541673
  C      -6.471914      9.003463      4.413334
  C      -5.726140      7.853028      4.639686
  F      -6.250678      6.933882      5.487776
  C      -4.488277      7.614982      4.018032
  C      -3.632718      6.400267      4.201807
  O      -2.670877      6.208551      3.466880
  C      -3.951694      5.406067      5.327873
  C      -4.023821      8.606117      3.141561
  C      -7.616694     -5.858205      4.309602
  C      -6.642978     -4.837133      4.845065
  O      -5.479680     -5.138825      5.094724
  C      -7.119163     -3.429119      5.040650
  C      -8.403393     -3.006237      4.653670
  C      -8.788780     -1.679803      4.814381
  C      -7.883205     -0.777047      5.360196
  F      -8.297968      0.502143      5.505612
  C      -6.592177     -1.150298      5.770593
  C      -5.548370     -0.228631      6.326269
  O      -4.528959     -0.693345      6.823443
  C      -5.735200      1.290077      6.205739
  C      -6.243293     -2.497664      5.601506
  H      -2.670686     -7.178807      2.687729
  H      -4.292212     -6.525270      3.098629
  H      -3.674121     -6.371554      1.439699
  H      -5.179471     -4.661866      1.542052
  H      -6.427857     -2.512961      1.325824
  H      -1.154307     -0.457438      3.859470
  H      -1.940153     -1.038510      5.331730
  H      -2.142208     -2.695125      3.832009
  H      -5.111651     12.617796      2.585564
  H      -5.940715     11.795285      1.254650
  H      -4.398994     12.657325      0.941484
  H      -6.559042     10.870957      3.366891
  H      -7.429318      9.125220      4.920004
  H      -4.165464      5.980462      6.248978
  H      -4.894994      4.902858      5.065835
  H      -3.068183      8.451946      2.638555
  H      -8.514310     -5.921781      4.942547
  H      -7.127036     -6.836610      4.267905
  H      -7.955232     -5.576805      3.299927
  H      -9.112140     -3.711516      4.219772
  H      -9.779712     -1.329840      4.525100
  H      -6.564096      1.585831      6.875854
  H      -6.080471      1.521087      5.189019
  H      -5.246537     -2.819245      5.905431
  N      -3.672335      3.161772      3.444358
  H      -3.384588      4.076462      3.099375
  H      -4.088386      2.574977      2.723262
89
Coordinates from ORCA-job orca E -6507.355592165118
  N      -1.748004      1.075801      5.250927
  Mo     -3.157919      2.487862      5.263225
  N      -4.539276      2.013900      6.567109
  C      -4.260788      2.174525      7.999177
  C      -2.787999      1.907379      8.271853
  N      -1.977378      2.701538      7.313597
  C      -0.613619      2.167085      7.083354
  C      -0.714738      0.905747      6.269463
  C      -1.874613      4.127404      7.705630
  C      -1.807774      4.927393      6.412829
  N      -2.915541      4.443134      5.609071
  H       0.261150      0.665456      5.810979
  H      -0.978448      0.044099      6.913175
  H      -0.064922      2.932967      6.518890
  H      -0.086603      2.000185      8.037414
  H      -1.892566      6.006832      6.612189
  H      -0.844849      4.777424      5.898251
  H      -2.780032      4.408526      8.258565
  H      -1.000961      4.278895      8.360640
  H      -4.863701      1.468050      8.589583
  H      -4.543849      3.192981      8.324850
  H      -2.588980      0.843285      8.095120
  H      -2.510644      2.154955      9.310896
  C      -3.327569     -6.334674      2.416118
  C      -2.718482     -5.023074      2.832755
  O      -1.597496     -4.950971      3.321834
  C      -3.536739     -3.770954      2.661348
  C      -4.757057     -3.734848      1.967667
  C      -5.483010     -2.550601      1.866090
  C      -5.000932     -1.404629      2.482582
  F      -5.732510     -0.282275      2.376362
  C      -3.782669     -1.394905      3.201332
  C      -3.295348     -0.227410      3.928581
  O      -4.003446      0.793297      4.090279
  C      -1.953354     -0.195402      4.570252
  C      -3.064577     -2.602453      3.253592
  C      -4.937296     11.974522      1.546633
  C      -4.153571     10.721931      1.855531
  O      -3.073780     10.494722      1.322638
  C      -4.727549      9.746459      2.844729
  C      -5.950611      9.963614      3.502821
  C      -6.440484      9.030421      4.411078
  C      -5.699201      7.881821      4.661113
  F      -6.217861      6.992541      5.543615
  C      -4.471834      7.616832      4.029484
  C      -3.620965      6.402059      4.235852
  O      -2.665307      6.188922      3.498717
  C      -3.953282      5.418745      5.367070
  C      -4.014328      8.577606      3.116077
  C      -7.636493     -5.843951      4.273135
  C      -6.654635     -4.827267      4.802314
  O      -5.487224     -5.130362      5.030537
  C      -7.133535     -3.425829      5.036419
  C      -8.428269     -3.002525      4.687077
  C      -8.817436     -1.681938      4.883907
  C      -7.904516     -0.785288      5.427565
  F      -8.323146      0.487667      5.610885
  C      -6.602611     -1.159404      5.801325
  C      -5.552688     -0.243471      6.355589
  O      -4.531142     -0.713411      6.843182
  C      -5.743791      1.276157      6.257808
  C      -6.250260     -2.501052      5.597392
  H      -2.605383     -7.140396      2.582267
  H      -4.233905     -6.519230      3.014736
  H      -3.626333     -6.319163      1.357219
  H      -5.152353     -4.637555      1.501528
  H      -6.426711     -2.500655      1.322835
  H      -1.157990     -0.406182      3.828676
  H      -1.912019     -1.027783      5.301526
  H      -2.120654     -2.666318      3.795742
  H      -5.080350     12.577521      2.456720
  H      -5.938602     11.725666      1.163124
  H      -4.394642     12.564065      0.800616
  H      -6.531919     10.865442      3.309496
  H      -7.389270      9.174465      4.928171
  H      -4.157811      5.998908      6.286298
  H      -4.903183      4.928239      5.105252
  H      -3.067107      8.401125      2.604368
  H      -8.521849     -5.917162      4.922262
  H      -7.146001     -6.820847      4.210017
  H      -7.994636     -5.550559      3.273596
  H      -9.142877     -3.702935      4.254677
  H      -9.816918     -1.332281      4.624991
  H      -6.563898      1.560800      6.943238
  H      -6.101352      1.521305      5.248808
  H      -5.245711     -2.823578      5.873614
  N      -3.747119      3.185645      3.504216
  H      -3.428916      4.088304      3.153679
  H      -4.179490      2.609491      2.784560
89
Coordinates from ORCA-job orca E -6507.355661777312
  N      -1.754810      1.086114      5.247584
  Mo     -3.175918      2.488261      5.280039
  N      -4.542243      2.001670      6.592365
  C      -4.255367      2.157281      8.023399
  C      -2.779379      1.898198      8.284764
  N      -1.980014      2.699422      7.323290
  C      -0.615622      2.172149      7.081855
  C      -0.714127      0.916484      6.258887
  C      -1.880502      4.124201      7.718388
  C      -1.819329      4.926868      6.427254
  N      -2.929894      4.443076      5.626236
  H       0.260938      0.687070      5.792914
  H      -0.967391      0.047846      6.897419
  H      -0.072362      2.944162      6.520672
  H      -0.082929      2.000252      8.031922
  H      -1.905035      6.005578      6.629818
  H      -0.858082      4.780221      5.908664
  H      -2.785764      4.401475      8.273560
  H      -1.006023      4.277056      8.372021
  H      -4.850022      1.443931      8.613845
  H      -4.542870      3.172571      8.355008
  H      -2.575122      0.835672      8.103941
  H      -2.496245      2.144471      9.322545
  C      -3.293419     -6.324194      2.388306
  C      -2.695560     -5.011107      2.816216
  O      -1.576380     -4.934643      3.308915
  C      -3.521694     -3.763752      2.649721
  C      -4.743964     -3.733509      1.959356
  C      -5.480474     -2.555033      1.867967
  C      -5.006678     -1.409216      2.491113
  F      -5.749825     -0.293410      2.397110
  C      -3.785219     -1.393049      3.204048
  C      -3.303688     -0.225067      3.934906
  O      -4.020257      0.786675      4.110634
  C      -1.954320     -0.182393      4.560546
  C      -3.056719     -2.594545      3.246149
  C      -4.918949     11.950257      1.502537
  C      -4.143926     10.694369      1.819566
  O      -3.071186     10.450987      1.279573
  C      -4.718480      9.735225      2.824193
  C      -5.934056      9.970249      3.489936
  C      -6.423735      9.051613      4.413025
  C      -5.690148      7.899576      4.670057
  F      -6.209042      7.024887      5.566842
  C      -4.470402      7.617075      4.031522
  C      -3.626611      6.398203      4.244275
  O      -2.671353      6.177134      3.508843
  C      -3.961550      5.425376      5.382997
  C      -4.012765      8.563698      3.103387
  C      -7.644887     -5.832469      4.243827
  C      -6.662656     -4.821911      4.784020
  O      -5.493568     -5.126075      5.002147
  C      -7.141253     -3.423062      5.033136
  C      -8.437625     -2.997232      4.693271
  C      -8.826992     -1.678980      4.905413
  C      -7.912664     -0.787463      5.454891
  F      -8.330044      0.484179      5.650972
  C      -6.609249     -1.164368      5.819645
  C      -5.559840     -0.253392      6.382415
  O      -4.535372     -0.726436      6.860489
  C      -5.749979      1.266346      6.289232
  C      -6.255997     -2.503066      5.599310
  H      -2.566162     -7.125805      2.552097
  H      -4.201422     -6.520190      2.980833
  H      -3.587841     -6.303650      1.328233
  H      -5.133336     -4.636676      1.489266
  H      -6.426640     -2.509964      1.328630
  H      -1.166662     -0.378424      3.806700
  H      -1.893583     -1.020317      5.284173
  H      -2.110608     -2.653557      3.784982
  H      -5.050520     12.564045      2.407087
  H      -5.925072     11.706216      1.128663
  H      -4.376585     12.527117      0.746485
  H      -6.509696     10.874562      3.291407
  H      -7.366757      9.209866      4.936421
  H      -4.156705      6.012160      6.299818
  H      -4.916538      4.941506      5.127492
  H      -3.071131      8.373296      2.586480
  H      -8.528234     -5.915006      4.894564
  H      -7.153841     -6.808003      4.166212
  H      -8.006358     -5.525966      3.249460
  H      -9.153235     -3.693638      4.256198
  H      -9.827702     -1.327557      4.653869
  H      -6.563804      1.550150      6.982314
  H      -6.115135      1.514641      5.283502
  H      -5.250308     -2.827932      5.868683
  N      -3.803573      3.186227      3.533697
  H      -3.480162      4.082777      3.171877
  H      -4.253809      2.610993      2.824260
89
Coordinates from ORCA-job orca E -6507.355755153524
  N      -1.770051      1.111707      5.239220
  Mo     -3.215139      2.492050      5.319406
  N      -4.547610      1.975132      6.649693
  C      -4.240511      2.113273      8.078389
  C      -2.757505      1.872188      8.311806
  N      -1.984254      2.693067      7.346113
  C      -0.618317      2.183544      7.078805
  C      -0.710169      0.943386      6.231178
  C      -1.893267      4.114605      7.751773
  C      -1.844409      4.925950      6.466099
  N      -2.961076      4.445203      5.669418
  H       0.262196      0.743329      5.745801
  H      -0.935433      0.056551      6.855214
  H      -0.086152      2.971392      6.529565
  H      -0.074143      1.996771      8.019691
  H      -1.932408      6.002570      6.678035
  H      -0.886583      4.787724      5.939052
  H      -2.798208      4.381643      8.312635
  H      -1.017025      4.269348      8.402794
  H      -4.814931      1.381425      8.666110
  H      -4.538151      3.119515      8.428405
  H      -2.540634      0.814336      8.116890
  H      -2.460418      2.111162      9.347414
  C      -3.225161     -6.297131      2.325723
  C      -2.651598     -4.981381      2.777810
  O      -1.541384     -4.897665      3.289769
  C      -3.497763     -3.745741      2.629336
  C      -4.726545     -3.728533      1.950360
  C      -5.486094     -2.563247      1.883820
  C      -5.028095     -1.418175      2.520160
  F      -5.796222     -0.317419      2.455130
  C      -3.797492     -1.387352      3.216073
  C      -3.325389     -0.217333      3.951153
  O      -4.059200      0.774209      4.158829
  C      -1.958880     -0.149757      4.537124
  C      -3.047098     -2.575530      3.234687
  C      -4.877012     11.894312      1.404047
  C      -4.119690     10.633230      1.741994
  O      -3.058509     10.358489      1.194071
  C      -4.697555      9.708061      2.776110
  C      -5.900120      9.978722      3.451904
  C      -6.390772      9.090694      4.404070
  C      -5.671859      7.933576      4.679758
  F      -6.192279      7.089333      5.604440
  C      -4.465575      7.616268      4.032856
  C      -3.633872      6.391461      4.265385
  O      -2.680830      6.150492      3.533565
  C      -3.977298      5.443578      5.421244
  C      -4.006391      8.532904      3.075562
  C      -7.651706     -5.806748      4.174972
  C      -6.669167     -4.805103      4.731211
  O      -5.496480     -5.108959      4.930533
  C      -7.152076     -3.415336      5.019552
  C      -8.453833     -2.987815      4.703574
  C      -8.846859     -1.676577      4.951422
  C      -7.930721     -0.794386      5.512506
  F      -8.349244      0.472030      5.739891
  C      -6.622673     -1.174132      5.855943
  C      -5.572953     -0.272676      6.433076
  O      -4.548304     -0.752621      6.902802
  C      -5.762719      1.247730      6.356516
  C      -6.265111     -2.504889      5.599212
  H      -2.489206     -7.090595      2.490354
  H      -4.140612     -6.515662      2.898965
  H      -3.503520     -6.267064      1.261347
  H      -5.103535     -4.632053      1.470978
  H      -6.438862     -2.528715      1.355397
  H      -1.192672     -0.311606      3.753146
  H      -1.850579     -0.999997      5.240666
  H      -2.093830     -2.623678      3.761916
  H      -4.992288     12.528931      2.296386
  H      -5.889968     11.659052      1.042940
  H      -4.331688     12.446436      0.631810
  H      -6.464888     10.886746      3.239243
  H      -7.323800      9.277382      4.936005
  H      -4.150876      6.046610      6.331337
  H      -4.944268      4.976234      5.180708
  H      -3.074197      8.314836      2.552559
  H      -8.526919     -5.911359      4.833692
  H      -7.156621     -6.777130      4.065477
  H      -8.027047     -5.475466      3.193785
  H      -9.170235     -3.676746      4.256115
  H      -9.851575     -1.324143      4.717826
  H      -6.564476      1.527932      7.064922
  H      -6.141998      1.506052      5.358361
  H      -5.255284     -2.831887      5.850564
  N      -3.929162      3.189777      3.606943
  H      -3.599281      4.071700      3.215694
  H      -4.417942      2.614340      2.923469
89
Coordinates from ORCA-job orca E -6507.355797136003
  N      -1.770824      1.120003      5.231960
  Mo     -3.223218      2.494865      5.321561
  N      -4.549511      1.967981      6.654274
  C      -4.239065      2.097490      8.082782
  C      -2.754695      1.862680      8.309523
  N      -1.987750      2.692124      7.346113
  C      -0.619824      2.189498      7.075582
  C      -0.705048      0.955088      6.218035
  C      -1.902199      4.112466      7.756303
  C      -1.854161      4.927463      6.473043
  N      -2.970024      4.447431      5.674225
  H       0.267380      0.769007      5.726978
  H      -0.917927      0.060979      6.836090
  H      -0.088255      2.983579      6.535081
  H      -0.076846      1.996201      8.015912
  H      -1.944847      6.003120      6.688647
  H      -0.895766      4.793194      5.946065
  H      -2.808533      4.374899      8.317074
  H      -1.027095      4.268179      8.408725
  H      -4.807050      1.357764      8.666830
  H      -4.541316      3.099619      8.440776
  H      -2.532356      0.807183      8.107500
  H      -2.454987      2.096604      9.345584
  C      -3.210771     -6.294766      2.318658
  C      -2.643206     -4.979710      2.779782
  O      -1.532635     -4.894558      3.290870
  C      -3.490225     -3.745148      2.628981
  C      -4.718319     -3.730394      1.948641
  C      -5.480480     -2.566945      1.882067
  C      -5.026021     -1.421450      2.520306
  F      -5.796790     -0.322495      2.455540
  C      -3.795442     -1.387628      3.215913
  C      -3.326205     -0.215765      3.950062
  O      -4.065640      0.769739      4.164883
  C      -1.955162     -0.138906      4.524737
  C      -3.042158     -2.573986      3.234314
  C      -4.858402     11.901646      1.404085
  C      -4.105159     10.638155      1.741856
  O      -3.043310     10.361712      1.196057
  C      -4.688567      9.712117      2.772029
  C      -5.892545      9.984360      3.444711
  C      -6.387787      9.095920      4.394101
  C      -5.671857      7.937062      4.670160
  F      -6.196127      7.092744      5.592812
  C      -4.464620      7.618031      4.026285
  C      -3.634458      6.391894      4.262097
  O      -2.679214      6.149559      3.534170
  C      -3.981740      5.449728      5.421659
  C      -4.000770      8.535029      3.071610
  C      -7.660710     -5.812858      4.185465
  C      -6.677341     -4.811304      4.740238
  O      -5.502054     -5.112440      4.928372
  C      -7.159623     -3.421106      5.027896
  C      -8.462461     -2.994693      4.715068
  C      -8.855376     -1.683129      4.961759
  C      -7.937717     -0.799470      5.517886
  F      -8.356815      0.466656      5.746366
  C      -6.628490     -1.178101      5.858272
  C      -5.577194     -0.276524      6.433346
  O      -4.552659     -0.757179      6.902111
  C      -5.766274      1.244497      6.359261
  C      -6.271342     -2.509288      5.603483
  H      -2.474124     -7.087178      2.485273
  H      -4.130434     -6.518427      2.882977
  H      -3.480867     -6.260769      1.252101
  H      -5.092116     -4.634345      1.467460
  H      -6.432746     -2.534169      1.352597
  H      -1.196356     -0.288363      3.730669
  H      -1.829140     -0.993194      5.220231
  H      -2.088956     -2.620439      3.761823
  H      -4.978387     12.533381      2.297852
  H      -5.869659     11.669315      1.036230
  H      -4.307768     12.455568      0.636910
  H      -6.454738     10.893917      3.231703
  H      -7.321911      9.284045      4.923647
  H      -4.151162      6.057970      6.328976
  H      -4.951517      4.986553      5.185007
  H      -3.067260      8.315870      2.551385
  H      -8.531077     -5.922682      4.849772
  H      -7.163903     -6.781428      4.068056
  H      -8.044117     -5.477864      3.208634
  H      -9.180060     -3.685034      4.271666
  H      -9.861266     -1.331958      4.731237
  H      -6.568170      1.525441      7.067391
  H      -6.144420      1.504880      5.361466
  H      -5.260873     -2.835738      5.853088
  N      -3.957316      3.189611      3.618974
  H      -3.633385      4.068813      3.217070
  H      -4.452747      2.610174      2.943534
89
Coordinates from ORCA-job orca E -6507.355828154089
  N      -1.767572      1.124962      5.223943
  Mo     -3.223752      2.497673      5.316085
  N      -4.548402      1.964966      6.648124
  C      -4.237725      2.086516      8.077227
  C      -2.752937      1.855104      8.300958
  N      -1.988988      2.691318      7.341169
  C      -0.618898      2.193678      7.071030
  C      -0.697789      0.963491      6.206059
  C      -1.907841      4.110783      7.754696
  C      -1.858462      4.928819      6.473254
  N      -2.972882      4.449663      5.671447
  H       0.274753      0.788131      5.711232
  H      -0.901618      0.064193      6.819626
  H      -0.086392      2.992319      6.538506
  H      -0.079169      1.995137      8.012133
  H      -1.951230      6.003708      6.691745
  H      -0.898937      4.797115      5.947774
  H      -2.815518      4.370092      8.314642
  H      -1.033875      4.267612      8.408479
  H      -4.802102      1.340776      8.657002
  H      -4.542972      3.085165      8.442321
  H      -2.527367      0.801599      8.092166
  H      -2.452661      2.083401      9.338192
  C      -3.207099     -6.301757      2.334000
  C      -2.637393     -4.984933      2.787845
  O      -1.526754     -4.898672      3.298481
  C      -3.484214     -3.750437      2.634188
  C      -4.712271     -3.737328      1.953567
  C      -5.473429     -2.573443      1.882253
  C      -5.018328     -1.426001      2.516793
  F      -5.787099     -0.325947      2.445569
  C      -3.788542     -1.390861      3.213615
  C      -3.320588     -0.216402      3.944829
  O      -4.063878      0.765234      4.163035
  C      -1.946835     -0.131844      4.512020
  C      -3.035769     -2.577541      3.236086
  C      -4.852876     11.919781      1.423310
  C      -4.099103     10.655276      1.756314
  O      -3.034571     10.383637      1.213401
  C      -4.685158      9.722731      2.779137
  C      -5.892888      9.989407      3.447446
  C      -6.391292      9.094950      4.389453
  C      -5.674444      7.936093      4.662860
  F      -6.201382      7.086498      5.579220
  C      -4.463523      7.622418      4.023122
  C      -3.632314      6.396444      4.258747
  O      -2.678724      6.152389      3.529877
  C      -3.982912      5.453530      5.417524
  C      -3.996757      8.545211      3.075605
  C      -7.676051     -5.823029      4.210299
  C      -6.688895     -4.818111      4.752077
  O      -5.516011     -5.122379      4.949313
  C      -7.168001     -3.425047      5.031088
  C      -8.468540     -2.996276      4.711560
  C      -8.857799     -1.681940      4.948978
  C      -7.939079     -0.798131      5.503161
  F      -8.354709      0.470399      5.723689
  C      -6.632342     -1.179119      5.850492
  C      -5.579853     -0.277895      6.424124
  O      -4.555144     -0.759589      6.891455
  C      -5.766262      1.244169      6.350227
  C      -6.279026     -2.513037      5.604833
  H      -2.473098     -7.094895      2.508652
  H      -4.129622     -6.519319      2.895471
  H      -3.472032     -6.273811      1.265918
  H      -5.085870     -4.642483      1.474441
  H      -6.425025     -2.541495      1.351543
  H      -1.193232     -0.270266      3.710650
  H      -1.806380     -0.988774      5.201085
  H      -2.082872     -2.623308      3.764232
  H      -4.980200     12.544878      2.320706
  H      -5.861142     11.687421      1.047273
  H      -4.298715     12.480300      0.663500
  H      -6.455516     10.899113      3.236283
  H      -7.328402      9.278587      4.915313
  H      -4.151057      6.063371      6.324130
  H      -4.953552      4.991924      5.182829
  H      -3.060460      8.330381      2.558448
  H      -8.544527     -5.924144      4.878516
  H      -7.181623     -6.793820      4.101429
  H      -8.061766     -5.497058      3.231376
  H      -9.187318     -3.687034      4.270676
  H      -9.861789     -1.328862      4.713098
  H      -6.569931      1.526546      7.055804
  H      -6.140657      1.505770      5.351639
  H      -5.270635     -2.841334      5.860194
  N      -3.967002      3.187131      3.616107
  H      -3.652199      4.065639      3.205759
  H      -4.467244      2.603253      2.947827
89
Coordinates from ORCA-job orca E -6507.355844113806
  N      -1.771143      1.128415      5.223815
  Mo     -3.229636      2.498498      5.320621
  N      -4.550746      1.962553      6.656386
  C      -4.237083      2.081104      8.084456
  C      -2.750959      1.851969      8.303774
  N      -1.991945      2.690687      7.342924
  C      -0.621086      2.196316      7.069842
  C      -0.698677      0.967434      6.202635
  C      -1.913242      4.109827      7.757708
  C      -1.864453      4.928984      6.476839
  N      -2.978808      4.451058      5.673866
  H       0.272970      0.794825      5.705275
  H      -0.899276      0.066732      6.815239
  H      -0.090343      2.996978      6.538740
  H      -0.080561      1.996851      8.010249
  H      -1.957391      6.003623      6.696563
  H      -0.904892      4.797950      5.951301
  H      -2.821458      4.367029      8.317726
  H      -1.039573      4.267761      8.411665
  H      -4.797908      1.332349      8.663849
  H      -4.543969      3.077675      8.453921
  H      -2.523740      0.799400      8.092394
  H      -2.448007      2.079099      9.340491
  C      -3.206092     -6.298877      2.323082
  C      -2.638162     -4.982752      2.781452
  O      -1.524394     -4.895137      3.284765
  C      -3.488395     -3.749614      2.635492
  C      -4.719129     -3.737145      1.959696
  C      -5.480716     -2.573475      1.890664
  C      -5.023027     -1.425449      2.522105
  F      -5.790674     -0.324445      2.450294
  C      -3.791719     -1.390382      3.216386
  C      -3.323471     -0.215272      3.946800
  O      -4.070005      0.762033      4.171120
  C      -1.946717     -0.125189      4.505512
  C      -3.038569     -2.576786      3.236703
  C      -4.840101     11.920362      1.417564
  C      -4.087140     10.656139      1.753704
  O      -3.020382     10.384651      1.215162
  C      -4.676769      9.724289      2.774928
  C      -5.888423      9.990310      3.436332
  C      -6.391636      9.095871      4.375704
  C      -5.675584      7.937759      4.653704
  F      -6.207537      7.088497      5.567488
  C      -4.460642      7.624683      4.020723
  C      -3.631382      6.398515      4.259996
  O      -2.675852      6.152415      3.534322
  C      -3.987222      5.455482      5.417306
  C      -3.989099      8.547419      3.075689
  C      -7.667751     -5.824258      4.203824
  C      -6.682160     -4.818871      4.747548
  O      -5.507944     -5.120473      4.940499
  C      -7.164228     -3.428187      5.032748
  C      -8.465691     -3.000454      4.715330
  C      -8.856663     -1.687460      4.956816
  C      -7.939106     -0.803925      5.513283
  F      -8.356318      0.463532      5.736882
  C      -6.631674     -1.184003      5.858866
  C      -5.578756     -0.281770      6.429414
  O      -4.554495     -0.762513      6.899027
  C      -5.767912      1.240504      6.359671
  C      -6.276695     -2.516794      5.609253
  H      -2.469963     -7.091121      2.492561
  H      -4.127014     -6.520906      2.885117
  H      -3.472420     -6.266165      1.255563
  H      -5.094272     -4.642580      1.482415
  H      -6.433961     -2.541677      1.362989
  H      -1.198269     -0.253696      3.697560
  H      -1.794389     -0.984949      5.188262
  H      -2.083872     -2.622607      3.761527
  H      -4.972223     12.545379      2.314226
  H      -5.846219     11.686720      1.036740
  H      -4.282909     12.481206      0.660252
  H      -6.450387     10.899482      3.221457
  H      -7.331961      9.278823      4.895941
  H      -4.157658      6.066556      6.322835
  H      -4.957255      4.994041      5.180637
  H      -3.050216      8.332863      2.563091
  H      -8.533554     -5.931637      4.874450
  H      -7.170373     -6.792787      4.088680
  H      -8.057742     -5.494896      3.227816
  H      -9.183731     -3.690828      4.272764
  H      -9.861093     -1.334953      4.722118
  H      -6.571813      1.520211      7.066095
  H      -6.143757      1.503211      5.361996
  H      -5.267411     -2.843852      5.862268
  N      -3.983073      3.188896      3.626665
  H      -3.668138      4.064187      3.209879
  H      -4.496227      2.607108      2.966262
89
Coordinates from ORCA-job orca E -6507.355850107205
  N      -1.776453      1.132102      5.222312
  Mo     -3.236724      2.500050      5.323391
  N      -4.555114      1.961563      6.660243
  C      -4.240486      2.078754      8.088711
  C      -2.753930      1.851262      8.306301
  N      -1.997275      2.690912      7.344316
  C      -0.626181      2.197518      7.069238
  C      -0.704299      0.969393      6.201305
  C      -1.918890      4.110385      7.758687
  C      -1.869516      4.929581      6.477889
  N      -2.984312      4.452101      5.674775
  H       0.267323      0.795976      5.704168
  H      -0.906594      0.068502      6.813135
  H      -0.096945      2.998765      6.537545
  H      -0.084386      1.998153      8.008932
  H      -1.961875      6.004259      6.697657
  H      -0.909976      4.798163      5.952475
  H      -2.827488      4.367525      8.318130
  H      -1.045374      4.269028      8.412767
  H      -4.800180      1.328755      8.667565
  H      -4.548160      3.074370      8.459910
  H      -2.526601      0.798918      8.093946
  H      -2.449892      2.078284      9.342728
  C      -3.202156     -6.295893      2.318076
  C      -2.634937     -4.978512      2.774330
  O      -1.519232     -4.888164      3.272735
  C      -3.488129     -3.746749      2.631453
  C      -4.720230     -3.735997      1.958219
  C      -5.483961     -2.573501      1.890829
  C      -5.026713     -1.424766      2.521471
  F      -5.795731     -0.324819      2.450786
  C      -3.794507     -1.388423      3.213971
  C      -3.327359     -0.213360      3.945639
  O      -4.076096      0.760912      4.174638
  C      -1.949035     -0.119541      4.499648
  C      -3.039119     -2.573315      3.232325
  C      -4.827371     11.921469      1.411086
  C      -4.078366     10.655017      1.748021
  O      -3.014402     10.377775      1.206929
  C      -4.668965      9.727379      2.772816
  C      -5.878634      9.998741      3.435693
  C      -6.383532      9.107813      4.377575
  C      -5.670973      7.947672      4.656587
  F      -6.204536      7.101985      5.572535
  C      -4.458022      7.629419      4.022254
  C      -3.633788      6.399916      4.261167
  O      -2.679458      6.150027      3.535304
  C      -3.992095      5.457097      5.418360
  C      -3.984838      8.548708      3.074759
  C      -7.660969     -5.831013      4.205807
  C      -6.676377     -4.823988      4.748352
  O      -5.501125     -5.122946      4.938894
  C      -7.160600     -3.434186      5.035097
  C      -8.463617     -3.008720      4.720894
  C      -8.856736     -1.696734      4.964328
  C      -7.939586     -0.811771      5.519560
  F      -8.358953      0.454322      5.745828
  C      -6.630487     -1.189631      5.861753
  C      -5.577988     -0.285687      6.430273
  O      -4.550704     -0.764812      6.895122
  C      -5.771024      1.236168      6.364758
  C      -6.273479     -2.521517      5.610015
  H      -2.464118     -7.086823      2.485600
  H      -4.120945     -6.519087      2.883245
  H      -3.471477     -6.263802      1.251260
  H      -5.095372     -4.642223      1.482306
  H      -6.438425     -2.543188      1.365211
  H      -1.203204     -0.241328      3.688250
  H      -1.790468     -0.980807      5.178995
  H      -2.083516     -2.617673      3.755721
  H      -4.954481     12.549204      2.306598
  H      -5.835347     11.690420      1.033474
  H      -4.270141     12.478244      0.650759
  H      -6.437748     10.909578      3.220139
  H      -7.322428      9.294766      4.899036
  H      -4.162543      6.067956      6.324102
  H      -4.961994      4.996120      5.180723
  H      -3.047572      8.329929      2.560876
  H      -8.525329     -5.940498      4.878031
  H      -7.161712     -6.798490      4.089506
  H      -8.053149     -5.502147      3.230470
  H      -9.181423     -3.700108      4.279361
  H      -9.862388     -1.345884      4.732216
  H      -6.573671      1.511341      7.074265
  H      -6.149842      1.500814      5.368663
  H      -5.262839     -2.846608      5.860353
  N      -3.997559      3.186899      3.629260
  H      -3.680509      4.059144      3.207657
  H      -4.508695      2.601938      2.970212
89
Coordinates from ORCA-job orca E -6507.355854078712
  N      -1.774411      1.128069      5.222757
  Mo     -3.231956      2.498699      5.319086
  N      -4.554515      1.965061      6.655912
  C      -4.241819      2.085425      8.084198
  C      -2.755769      1.855324      8.304361
  N      -1.996663      2.690872      7.340732
  C      -0.625908      2.194639      7.068800
  C      -0.705320      0.964105      6.204601
  C      -1.916764      4.111118      7.752694
  C      -1.865875      4.928758      6.471100
  N      -2.979862      4.450907      5.667683
  H       0.266936      0.785830      5.710494
  H      -0.912439      0.065754      6.818586
  H      -0.095327      2.993446      6.534755
  H      -0.085746      1.997935      8.009971
  H      -1.957766      6.003760      6.689600
  H      -0.906191      4.796194      5.946293
  H      -2.825544      4.369601      8.311186
  H      -1.043619      4.269823      8.407202
  H      -4.804002      1.338290      8.664433
  H      -4.548107      3.082456      8.452763
  H      -2.530759      0.801892      8.095029
  H      -2.452067      2.084863      9.340262
  C      -3.210706     -6.300620      2.331931
  C      -2.638286     -4.982267      2.778448
  O      -1.521933     -4.892203      3.275318
  C      -3.489486     -3.749400      2.633251
  C      -4.720663     -3.737388      1.958587
  C      -5.481654     -2.573367      1.887401
  C      -5.022901     -1.424363      2.516262
  F      -5.788798     -0.322489      2.441440
  C      -3.792025     -1.389733      3.211265
  C      -3.324268     -0.215095      3.943098
  O      -4.072248      0.760036      4.170636
  C      -1.946532     -0.122518      4.498373
  C      -3.038934     -2.575903      3.232761
  C      -4.833341     11.928580      1.425870
  C      -4.082431     10.662296      1.759080
  O      -3.017491     10.388830      1.218052
  C      -4.672569      9.729620      2.779522
  C      -5.883868      9.995887      3.441374
  C      -6.388575      9.100570      4.379197
  C      -5.673991      7.940947      4.655105
  F      -6.207029      7.090467      5.566883
  C      -4.459445      7.627756      4.021477
  C      -3.634412      6.398480      4.256396
  O      -2.679695      6.151636      3.529764
  C      -3.990205      5.453012      5.412256
  C      -3.986496      8.551161      3.077997
  C      -7.661484     -5.831042      4.212395
  C      -6.676640     -4.824238      4.754674
  O      -5.502593     -5.124883      4.949909
  C      -7.159256     -3.432618      5.035448
  C      -8.460613     -3.006216      4.715992
  C      -8.852923     -1.693274      4.954970
  C      -7.936487     -0.808048      5.511005
  F      -8.355940      0.458627      5.733946
  C      -6.628733     -1.186612      5.857836
  C      -5.577017     -0.282658      6.427685
  O      -4.548435     -0.761382      6.890262
  C      -5.769421      1.238838      6.360021
  C      -6.272421     -2.519501      5.610131
  H      -2.475154     -7.092895      2.503893
  H      -4.129630     -6.516548      2.899752
  H      -3.480634     -6.274447      1.265138
  H      -5.097700     -4.644115      1.485210
  H      -6.435358     -2.542086      1.360508
  H      -1.200474     -0.243305      3.686999
  H      -1.788347     -0.984335      5.177059
  H      -2.084310     -2.621282      3.757768
  H      -4.962534     12.553066      2.323266
  H      -5.840386     11.696725      1.046392
  H      -4.276387     12.488870      0.667949
  H      -6.444244     10.906491      3.228331
  H      -7.328695      9.283430      4.899813
  H      -4.163904      6.062040      6.318627
  H      -4.958153      4.988672      5.172698
  H      -3.048061      8.336420      2.564702
  H      -8.528139     -5.936522      4.882237
  H      -7.163757     -6.799894      4.101080
  H      -8.049908     -5.504975      3.234684
  H      -9.177934     -3.697788      4.274021
  H      -9.857402     -1.341682      4.719097
  H      -6.573160      1.514629      7.068050
  H      -6.147264      1.502156      5.363043
  H      -5.262882     -2.844955      5.864372
  N      -3.984314      3.187165      3.622435
  H      -3.668242      4.060986      3.203245
  H      -4.493644      2.602813      2.961419
89
Coordinates from ORCA-job orca E -6507.355857846986
  N      -1.774280      1.128861      5.220752
  Mo     -3.232394      2.498800      5.318507
  N      -4.553804      1.964819      6.655477
  C      -4.240606      2.084736      8.083728
  C      -2.754308      1.854958      8.303322
  N      -1.995634      2.690607      7.339501
  C      -0.625030      2.194636      7.067158
  C      -0.704329      0.964967      6.201820
  C      -1.915358      4.110687      7.751630
  C      -1.864868      4.928374      6.469997
  N      -2.979417      4.450920      5.667148
  H       0.267758      0.788132      5.706870
  H      -0.910247      0.065726      6.814912
  H      -0.094352      2.993822      6.533772
  H      -0.084741      1.997053      8.008064
  H      -1.956357      6.003352      6.688747
  H      -0.905480      4.795638      5.944663
  H      -2.823887      4.369418      8.310421
  H      -1.041953      4.269316      8.405789
  H      -4.802356      1.337159      8.663787
  H      -4.547082      3.081595      8.452644
  H      -2.529222      0.801492      8.094064
  H      -2.450363      2.084625      9.339111
  C      -3.208176     -6.303566      2.338614
  C      -2.636316     -4.984569      2.783967
  O      -1.519735     -4.893571      3.280237
  C      -3.487846     -3.752214      2.636971
  C      -4.719124     -3.741581      1.962520
  C      -5.480883     -2.578086      1.890634
  C      -5.023003     -1.428467      2.518987
  F      -5.790152     -0.327435      2.444238
  C      -3.791682     -1.392228      3.213062
  C      -3.324336     -0.216409      3.943467
  O      -4.073034      0.757762      4.171726
  C      -1.945420     -0.121631      4.495833
  C      -3.037780     -2.577828      3.235151
  C      -4.834568     11.929153      1.427373
  C      -4.084260     10.662221      1.759490
  O      -3.019893     10.388344      1.217513
  C      -4.674032      9.729728      2.780264
  C      -5.884253      9.996711      3.443829
  C      -6.388055      9.101591      4.382315
  C      -5.673784      7.941528      4.657221
  F      -6.205933      7.091276      5.569700
  C      -4.460316      7.627622      4.021953
  C      -3.635295      6.398327      4.256474
  O      -2.682462      6.150174      3.527702
  C      -3.989444      5.454006      5.413590
  C      -3.988260      8.550846      3.077765
  C      -7.663426     -5.827707      4.207127
  C      -6.678579     -4.822151      4.751821
  O      -5.504887     -5.123781      4.947823
  C      -7.160497     -3.430302      5.032507
  C      -8.461139     -3.002834      4.711499
  C      -8.852670     -1.689629      4.950430
  C      -7.936352     -0.805309      5.508055
  F      -8.354777      0.461910      5.729982
  C      -6.629362     -1.184894      5.856399
  C      -5.577924     -0.281892      6.427997
  O      -4.550830     -0.761337      6.893083
  C      -5.769419      1.239680      6.359755
  C      -6.273748     -2.517968      5.608675
  H      -2.472833     -7.095613      2.512507
  H      -4.127894     -6.518767      2.905388
  H      -3.476638     -6.278787      1.271396
  H      -5.095509     -4.648828      1.489643
  H      -6.434671     -2.547838      1.363842
  H      -1.201423     -0.239827      3.682195
  H      -1.783259     -0.983710      5.173174
  H      -2.082834     -2.621976      3.759640
  H      -4.963162     12.553038      2.325270
  H      -5.841830     11.698082      1.047972
  H      -4.277554     12.489670      0.669670
  H      -6.444503     10.907589      3.231627
  H      -7.327342      9.285015      4.904250
  H      -4.160611      6.063379      6.320125
  H      -4.958396      4.990675      5.176037
  H      -3.050566      8.335648      2.563333
  H      -8.530814     -5.933378      4.875991
  H      -7.166265     -6.796766      4.095171
  H      -8.050603     -5.500171      3.229417
  H      -9.178333     -3.693626      4.268135
  H      -9.856499     -1.337126      4.713155
  H      -6.572822      1.516495      7.067776
  H      -6.147014      1.502804      5.362635
  H      -5.264735     -2.844180      5.864063
  N      -3.989475      3.185437      3.622957
  H      -3.674239      4.058572      3.201480
  H      -4.504267      2.601386      2.965819
89
Coordinates from ORCA-job orca E -6507.355859949286
  N      -1.773949      1.129539      5.219722
  Mo     -3.232668      2.498885      5.318341
  N      -4.554002      1.964953      6.655361
  C      -4.240828      2.084950      8.083598
  C      -2.754577      1.855393      8.303281
  N      -1.995870      2.690700      7.339107
  C      -0.625287      2.194535      7.067171
  C      -0.704466      0.965194      6.201366
  C      -1.915318      4.110847      7.751071
  C      -1.864265      4.928096      6.469176
  N      -2.978884      4.450771      5.666254
  H       0.267920      0.788626      5.706873
  H      -0.910682      0.065641      6.813890
  H      -0.094305      2.993713      6.534035
  H      -0.085262      1.996699      8.008164
  H      -1.955375      6.003162      6.687631
  H      -0.904855      4.794901      5.943974
  H      -2.824002      4.370016      8.309443
  H      -1.042153      4.269276      8.405591
  H      -4.802555      1.337322      8.663597
  H      -4.547469      3.081856      8.452283
  H      -2.529431      0.801821      8.094574
  H      -2.450567      2.085692      9.338897
  C      -3.206762     -6.305036      2.342628
  C      -2.634463     -4.985652      2.786061
  O      -1.517125     -4.894084      3.280608
  C      -3.485821     -3.753413      2.637685
  C      -4.716948     -3.743362      1.962989
  C      -5.479043     -2.580122      1.890584
  C      -5.021910     -1.430350      2.519192
  F      -5.789766     -0.329788      2.444815
  C      -3.790547     -1.393367      3.213085
  C      -3.323834     -0.217003      3.943166
  O      -4.073544      0.756021      4.172548
  C      -1.943898     -0.120269      4.493225
  C      -3.036078     -2.578627      3.235358
  C      -4.833739     11.929658      1.428490
  C      -4.084447     10.661953      1.759821
  O      -3.020889     10.387032      1.216744
  C      -4.674423      9.729758      2.780713
  C      -5.883509      9.998006      3.445811
  C      -6.387235      9.103210      4.384627
  C      -5.674002      7.942212      4.658356
  F      -6.206057      7.092254      5.571170
  C      -4.461699      7.626990      4.021504
  C      -3.637280      6.396983      4.254995
  O      -2.685989      6.148005      3.524493
  C      -3.989269      5.454024      5.413747
  C      -3.989672      8.549991      3.077035
  C      -7.664867     -5.826319      4.204962
  C      -6.679541     -4.820887      4.749056
  O      -5.505779     -5.122802      4.944337
  C      -7.161401     -3.429328      5.031197
  C      -8.462393     -3.001932      4.711591
  C      -8.853912     -1.688890      4.951539
  C      -7.937269     -0.804736      5.508860
  F      -8.355629      0.462433      5.731411
  C      -6.629938     -1.184243      5.855846
  C      -5.578205     -0.281439      6.427434
  O      -4.551827     -0.761172      6.893680
  C      -5.769740      1.240137      6.359322
  C      -6.274353     -2.517164      5.607282
  H      -2.471859     -7.097171      2.517979
  H      -4.126938     -6.518943      2.909103
  H      -3.474631     -6.281727      1.275197
  H      -5.092701     -4.650739      1.489847
  H      -6.432609     -2.550284      1.363362
  H      -1.201834     -0.235173      3.677303
  H      -1.777837     -0.983101      5.168493
  H      -2.081015     -2.622135      3.759636
  H      -4.961616     12.553232      2.326713
  H      -5.841328     11.699685      1.049247
  H      -4.276468     12.490032      0.670875
  H      -6.443038     10.909534      3.234458
  H      -7.325696      9.287617      4.907709
  H      -4.158954      6.063733      6.320231
  H      -4.958677      4.990840      5.177610
  H      -3.052855      8.333842      2.561410
  H      -8.531542     -5.932277      4.874719
  H      -7.167838     -6.795330      4.092083
  H      -8.053176     -5.498410      3.227824
  H      -9.179755     -3.692567      4.268286
  H      -9.857963     -1.336380      4.715215
  H      -6.573065      1.517063      7.067448
  H      -6.147372      1.503375      5.362308
  H      -5.265038     -2.843267      5.861590
  N      -3.992396      3.183925      3.623573
  H      -3.677784      4.056568      3.200693
  H      -4.508422      2.599168      2.968024
89
Coordinates from ORCA-job orca E -6507.355861108322
  N      -1.772454      1.128190      5.220280
  Mo     -3.229952      2.498784      5.317137
  N      -4.553704      1.967556      6.653101
  C      -4.241935      2.088723      8.081532
  C      -2.756290      1.857463      8.303274
  N      -1.995340      2.690576      7.338826
  C      -0.625126      2.192164      7.069086
  C      -0.705163      0.962306      6.204178
  C      -1.912993      4.111043      7.749749
  C      -1.859847      4.927048      6.467061
  N      -2.974427      4.450310      5.663768
  H       0.267836      0.783445      5.711711
  H      -0.914443      0.063593      6.816872
  H      -0.092567      2.990045      6.535516
  H      -0.086328      1.994581      8.010814
  H      -1.949614      6.002465      6.684360
  H      -0.900276      4.792003      5.942616
  H      -2.821765      4.372097      8.307136
  H      -1.040190      4.268591      8.404948
  H      -4.805400      1.342533      8.661703
  H      -4.547656      3.086497      8.448656
  H      -2.532375      0.803284      8.096323
  H      -2.453094      2.088959      9.338851
  C      -3.210365     -6.307785      2.350210
  C      -2.635288     -4.988112      2.789002
  O      -1.516953     -4.896775      3.281402
  C      -3.485268     -3.755195      2.638772
  C      -4.715776     -3.744563      1.962981
  C      -5.476812     -2.580724      1.889063
  C      -5.019527     -1.431089      2.517787
  F      -5.786579     -0.330032      2.442439
  C      -3.788728     -1.394623      3.212703
  C      -3.322092     -0.218079      3.942679
  O      -4.071970      0.754762      4.171927
  C      -1.941709     -0.120866      4.492128
  C      -3.035011     -2.580378      3.236047
  C      -4.839711     11.929316      1.431334
  C      -4.089639     10.661633      1.760925
  O      -3.026487     10.387572      1.216580
  C      -4.677686      9.728983      2.782485
  C      -5.885461      9.996914      3.450081
  C      -6.387302      9.101702      4.389505
  C      -5.673452      7.940639      4.661354
  F      -6.203577      7.090096      5.574765
  C      -4.462446      7.625679      4.021914
  C      -3.637286      6.395809      4.253536
  O      -2.690065      6.145055      3.518361
  C      -3.985963      5.453169      5.413456
  C      -3.992298      8.549102      3.076895
  C      -7.664536     -5.823677      4.202725
  C      -6.679569     -4.818459      4.747912
  O      -5.505743     -5.120352      4.942981
  C      -7.161393     -3.426816      5.029530
  C      -8.462339     -2.999581      4.709526
  C      -8.853952     -1.686484      4.949035
  C      -7.937440     -0.802092      5.506193
  F      -8.356114      0.465065      5.728374
  C      -6.630174     -1.181397      5.853585
  C      -5.578621     -0.278566      6.425752
  O      -4.553044     -0.758485      6.893451
  C      -5.769461      1.243072      6.356191
  C      -6.274539     -2.514429      5.605621
  H      -2.477093     -7.100883      2.528044
  H      -4.131039     -6.517704      2.917352
  H      -3.478128     -6.287441      1.282664
  H      -5.091641     -4.651834      1.489708
  H      -6.429680     -2.550367      1.360597
  H      -1.200800     -0.233286      3.674770
  H      -1.773478     -0.984423      5.165713
  H      -2.080227     -2.624149      3.760793
  H      -4.967060     12.552130      2.330174
  H      -5.847579     11.699273      1.052840
  H      -4.283387     12.490505      0.673626
  H      -6.445544     10.908432      3.240107
  H      -7.324777      9.285821      4.914470
  H      -4.154490      6.062384      6.320406
  H      -4.955539      4.989475      5.178635
  H      -3.056571      8.333175      2.559191
  H      -8.531559     -5.930022      4.871981
  H      -7.167447     -6.792626      4.089602
  H      -8.052413     -5.495317      3.225553
  H      -9.179547     -3.690387      4.266250
  H      -9.857988     -1.334065      4.712487
  H      -6.573289      1.520876      7.063432
  H      -6.146152      1.505749      5.358724
  H      -5.265277     -2.840362      5.860362
  N      -3.987949      3.182446      3.621315
  H      -3.673591      4.055211      3.198564
  H      -4.504332      2.597500      2.966239
89
Coordinates from ORCA-job orca E -6507.355861846143
  N      -1.772258      1.127413      5.219331
  Mo     -3.229485      2.498286      5.314651
  N      -4.554379      1.968819      6.650212
  C      -4.243512      2.091235      8.078711
  C      -2.758139      1.859335      8.301750
  N      -1.996161      2.691159      7.337013
  C      -0.626033      2.191804      7.068478
  C      -0.706215      0.961288      6.204543
  C      -1.913243      4.111933      7.746824
  C      -1.859253      4.926858      6.463397
  N      -2.973652      4.449834      5.660077
  H       0.267138      0.781038      5.713302
  H      -0.917120      0.063321      6.817765
  H      -0.092900      2.988946      6.534378
  H      -0.087765      1.994784      8.010621
  H      -1.948596      6.002531      6.679599
  H      -0.899576      4.790825      5.939423
  H      -2.822084      4.373947      8.303646
  H      -1.040633      4.269515      8.402257
  H      -4.807830      1.345984      8.659269
  H      -4.548879      3.089559      8.444627
  H      -2.534596      0.804856      8.095971
  H      -2.455578      2.091693      9.337323
  C      -3.210392     -6.310445      2.355741
  C      -2.634042     -4.990113      2.790857
  O      -1.515075     -4.898212      3.281686
  C      -3.483843     -3.757235      2.639415
  C      -4.714198     -3.747041      1.963326
  C      -5.475090     -2.583191      1.888256
  C      -5.017856     -1.433112      2.516188
  F      -5.784756     -0.332010      2.439625
  C      -3.787301     -1.396251      3.211559
  C      -3.321136     -0.219303      3.941185
  O      -4.071405      0.753273      4.170049
  C      -1.940838     -0.121534      4.490808
  C      -3.033623     -2.582010      3.235887
  C      -4.839494     11.933352      1.437422
  C      -4.089824     10.664896      1.764962
  O      -3.027558     10.390594      1.219019
  C      -4.677694      9.731315      2.785755
  C      -5.884518      9.999429      3.454999
  C      -6.386249      9.103303      4.393618
  C      -5.673260      7.941161      4.662999
  F      -6.203258      7.089706      5.575660
  C      -4.463332      7.625882      4.021686
  C      -3.639372      6.394730      4.250339
  O      -2.693242      6.144105      3.513706
  C      -3.986136      5.452055      5.410802
  C      -3.993245      8.550254      3.077579
  C      -7.664884     -5.824710      4.205699
  C      -6.679856     -4.818942      4.749767
  O      -5.506374     -5.121115      4.946451
  C      -7.161563     -3.427002      5.029880
  C      -8.462360     -2.999910      4.709003
  C      -8.853897     -1.686568      4.947202
  C      -7.937479     -0.801773      5.503848
  F      -8.356171      0.465567      5.724987
  C      -6.630434     -1.180922      5.852185
  C      -5.579140     -0.277675      6.424206
  O      -4.554062     -0.757265      6.893298
  C      -5.769905      1.243958      6.353226
  C      -6.274846     -2.514207      5.605514
  H      -2.477523     -7.103648      2.534742
  H      -4.130705     -6.518230      2.924245
  H      -3.479087     -6.292446      1.288393
  H      -5.090069     -4.654678      1.490782
  H      -6.427772     -2.553171      1.359447
  H      -1.200026     -0.233121      3.673240
  H      -1.771952     -0.985172      5.164061
  H      -2.078997     -2.625466      3.760963
  H      -4.965646     12.555284      2.337031
  H      -5.847851     11.704283      1.059659
  H      -4.283588     12.495037      0.679778
  H      -6.443896     10.911823      3.247020
  H      -7.322982      9.287564      4.919842
  H      -4.154295      6.061043      6.317963
  H      -4.955616      4.987685      5.176794
  H      -3.058342      8.334122      2.558472
  H      -8.532297     -5.929745      4.874649
  H      -7.168052     -6.793993      4.094355
  H      -8.052128     -5.497754      3.227814
  H      -9.179529     -3.691073      4.266231
  H      -9.857837     -1.334269      4.710080
  H      -6.574128      1.522273      7.059799
  H      -6.146095      1.505802      5.355351
  H      -5.265787     -2.840084      5.861120
  N      -3.986242      3.181294      3.618049
  H      -3.671897      4.054299      3.195701
  H      -4.503263      2.596727      2.963158
