89
Coordinates from ORCA-job orca E -6561.561137533892
  N      -1.583629      0.882658      5.460909
  Mo     -2.756299      2.361708      4.867536
  N      -4.319878      2.056199      5.957574
  C      -4.254774      2.345375      7.372497
  C      -2.807657      2.198833      7.846035
  N      -1.905561      2.894991      6.916079
  C      -0.537758      2.374824      7.012979
  C      -0.493710      0.980578      6.389910
  C      -1.882484      4.345903      7.166458
  C      -1.891838      4.998907      5.777270
  N      -2.948631      4.325671      5.065389
  H       0.475785      0.819781      5.887571
  H      -0.586470      0.199168      7.162807
  H       0.112812      3.047232      6.448138
  H      -0.204104      2.352506      8.058331
  H      -2.047187      6.082357      5.844125
  H      -0.932438      4.830528      5.274106
  H      -2.795143      4.639489      7.689927
  H      -1.017862      4.634953      7.771126
  H      -4.877595      1.649476      7.951658
  H      -4.632468      3.364539      7.568540
  H      -2.569468      1.133535      7.823620
  H      -2.681825      2.577882      8.867927
  C      -3.723717     -6.546309      3.368110
  C      -2.862558     -5.324042      3.489079
  O      -1.716302     -5.374167      3.895306
  C      -3.490015     -4.024297      3.126538
  C      -4.644514     -3.924137      2.342382
  C      -5.173736     -2.676309      2.061170
  C      -4.573737     -1.546596      2.572106
  F      -5.143342     -0.345808      2.285623
  C      -3.415444     -1.595641      3.374181
  C      -2.857210     -0.400118      3.961191
  O      -3.277788      0.743343      3.658237
  C      -1.701959     -0.438064      4.916282
  C      -2.893256     -2.872902      3.617538
  C      -5.436611     12.044887      2.478497
  C      -4.778198     10.695374      2.372841
  O      -3.933095     10.461123      1.525830
  C      -5.198862      9.658165      3.347450
  C      -6.130393      9.896156      4.370507
  C      -6.480634      8.870503      5.231167
  C      -5.900814      7.626440      5.098700
  F      -6.321118      6.647312      5.943181
  C      -4.945779      7.344609      4.103921
  C      -4.276717      6.062521      3.910320
  O      -3.770303      5.765597      2.818889
  C      -4.176184      5.085740      5.085205
  C      -4.638664      8.394570      3.231112
  C      -8.237472     -5.546571      4.337866
  C      -7.143544     -4.619197      4.795708
  O      -6.065884     -5.049954      5.176512
  C      -7.425948     -3.167716      4.759552
  C      -8.653988     -2.635389      4.333311
  C      -8.833117     -1.265512      4.313447
  C      -7.812978     -0.423094      4.709041
  F      -8.065677      0.912549      4.649953
  C      -6.567280     -0.905534      5.145794
  C      -5.417163     -0.095668      5.561083
  O      -4.345050     -0.621052      5.852846
  C      -5.549093      1.426875      5.571448
  C      -6.422097     -2.296720      5.156531
  H      -3.186502     -7.411889      3.747244
  H      -4.630125     -6.386468      3.949491
  H      -3.996161     -6.717618      2.329836
  H      -5.120611     -4.802197      1.941760
  H      -6.058730     -2.568841      1.453019
  H      -0.781718     -0.739526      4.377901
  H      -1.882013     -1.173606      5.714041
  H      -2.003972     -2.984873      4.217297
  H      -5.220750     12.487580      3.448492
  H      -6.514266     11.943940      2.371854
  H      -5.053749     12.693210      1.694207
  H      -6.586092     10.863079      4.494596
  H      -7.211394      9.022918      6.010433
  H      -4.262321      5.648349      6.023604
  H      -5.035964      4.404197      5.026590
  H      -3.921194      8.209154      2.444128
  H      -9.120816     -5.414576      4.958463
  H      -7.895377     -6.575658      4.415899
  H      -8.502737     -5.329552      3.305882
  H      -9.460801     -3.274294      4.018891
  H      -9.765361     -0.830042      3.987595
  H      -6.386994      1.711064      6.226581
  H      -5.812596      1.723823      4.549303
  H      -5.475186     -2.704518      5.481605
  N      -1.306137      2.756055      3.358092
  N      -0.453742      2.987849      2.470851
  H       0.409896      3.371660      2.870219
89
Coordinates from ORCA-job orca E -6561.579187631339
  N      -1.546666      0.879583      5.459511
  Mo     -2.692735      2.388627      4.873954
  N      -4.302055      2.056474      5.925837
  C      -4.267605      2.339974      7.354880
  C      -2.835091      2.174352      7.861809
  N      -1.895788      2.878070      6.957792
  C      -0.527138      2.336629      7.075414
  C      -0.481036      0.952039      6.425909
  C      -1.870786      4.338757      7.223824
  C      -1.834185      5.014850      5.845347
  N      -2.880984      4.359299      5.091397
  H       0.504291      0.793514      5.947767
  H      -0.600327      0.152145      7.182298
  H       0.144203      3.016512      6.537869
  H      -0.218597      2.295513      8.132040
  H      -1.983803      6.102584      5.925346
  H      -0.857164      4.847617      5.366735
  H      -2.799277      4.630440      7.729407
  H      -1.018304      4.611330      7.861775
  H      -4.906651      1.639385      7.915924
  H      -4.647677      3.361686      7.556776
  H      -2.601719      1.104710      7.832810
  H      -2.727981      2.541325      8.895215
  C      -3.983416     -6.436945      3.269775
  C      -3.033212     -5.274501      3.395589
  O      -1.902978     -5.399111      3.851833
  C      -3.560964     -3.938633      2.987991
  C      -4.683042     -3.791013      2.156635
  C      -5.146017     -2.518329      1.844920
  C      -4.517798     -1.411130      2.380770
  F      -5.040571     -0.195898      2.074220
  C      -3.386332     -1.505603      3.232020
  C      -2.806479     -0.345038      3.868985
  O      -3.200381      0.829062      3.593802
  C      -1.678953     -0.431351      4.862495
  C      -2.924081     -2.808298      3.493131
  C      -5.451504     12.098553      2.461422
  C      -4.755357     10.759605      2.379470
  O      -3.861200     10.554838      1.567984
  C      -5.195722      9.692305      3.327184
  C      -6.183579      9.898242      4.308419
  C      -6.552242      8.854647      5.148334
  C      -5.931123      7.622652      5.030583
  F      -6.367448      6.626495      5.845536
  C      -4.922049      7.370123      4.079406
  C      -4.203142      6.093808      3.904607
  O      -3.647803      5.826839      2.837817
  C      -4.121180      5.102616      5.076362
  C      -4.597565      8.437297      3.227787
  C      -8.145577     -5.718037      4.632645
  C      -7.090141     -4.737447      5.090123
  O      -6.027429     -5.131489      5.565912
  C      -7.387331     -3.285236      4.931178
  C      -8.597258     -2.805884      4.388144
  C      -8.795748     -1.438813      4.246636
  C      -7.807534     -0.547471      4.636848
  F      -8.069221      0.773479      4.449885
  C      -6.582081     -0.971626      5.188530
  C      -5.448000     -0.118691      5.606874
  O      -4.410819     -0.645404      6.010895
  C      -5.538385      1.417750      5.517498
  C      -6.420373     -2.361337      5.320512
  H      -3.522972     -7.336263      3.687464
  H      -4.905824     -6.192117      3.819623
  H      -4.238598     -6.614699      2.218482
  H      -5.191369     -4.658030      1.746287
  H      -6.010692     -2.373327      1.201435
  H      -0.747026     -0.741188      4.340213
  H      -1.893036     -1.188336      5.637541
  H      -2.062649     -2.959181      4.139072
  H      -5.296262     12.544500      3.451198
  H      -6.529393     11.977376      2.302150
  H      -5.042928     12.764617      1.697128
  H      -6.672239     10.861601      4.417784
  H      -7.329395      8.982393      5.898526
  H      -4.257826      5.649920      6.022540
  H      -4.969401      4.404538      4.974498
  H      -3.834125      8.273870      2.469696
  H      -9.077300     -5.558661      5.188386
  H      -7.792730     -6.738039      4.805848
  H      -8.355037     -5.580009      3.565246
  H      -9.380184     -3.488374      4.071937
  H      -9.717575     -1.043905      3.825399
  H      -6.397403      1.739465      6.132108
  H      -5.767420      1.685164      4.476742
  H      -5.482507     -2.726001      5.734061
  N      -1.220684      2.819003      3.423637
  N      -0.370006      3.064054      2.579765
  H       0.511852      3.422470      3.017678
89
Coordinates from ORCA-job orca E -6561.587330710310
  N      -1.448068      0.857860      5.461080
  Mo     -2.603767      2.380203      4.907989
  N      -4.218125      2.043916      5.995089
  C      -4.142163      2.327605      7.435389
  C      -2.700085      2.159086      7.909920
  N      -1.768086      2.865793      6.978177
  C      -0.391073      2.312910      7.060961
  C      -0.364416      0.928489      6.411259
  C      -1.734805      4.342023      7.227738
  C      -1.715878      5.016105      5.847473
  N      -2.782844      4.366711      5.107705
  H       0.615220      0.767274      5.916645
  H      -0.470460      0.125280      7.171557
  H       0.268951      2.995879      6.507896
  H      -0.058647      2.276020      8.113759
  H      -1.858430      6.108443      5.928551
  H      -0.743430      4.843898      5.353719
  H      -2.655975      4.635259      7.752565
  H      -0.868146      4.609424      7.856627
  H      -4.771909      1.629598      8.014346
  H      -4.511974      3.353109      7.652616
  H      -2.461301      1.087934      7.877069
  H      -2.564834      2.527993      8.943410
  C      -3.788128     -6.513629      3.449041
  C      -2.895526     -5.292348      3.511860
  O      -1.730548     -5.363288      3.905881
  C      -3.496675     -3.976239      3.113415
  C      -4.672660     -3.880679      2.341463
  C      -5.189400     -2.621848      2.018774
  C      -4.561752     -1.477932      2.487670
  F      -5.140294     -0.293590      2.172136
  C      -3.379598     -1.517201      3.287688
  C      -2.773668     -0.353723      3.887673
  O      -3.167272      0.846942      3.630975
  C      -1.617345     -0.451815      4.850249
  C      -2.870448     -2.809520      3.558277
  C      -5.677506     12.033440      2.415014
  C      -4.921884     10.720668      2.350533
  O      -4.009064     10.553084      1.544426
  C      -5.319563      9.628482      3.301789
  C      -6.326364      9.795538      4.274882
  C      -6.658811      8.741183      5.124584
  C      -5.975945      7.534941      5.014457
  F      -6.369404      6.524430      5.832230
  C      -4.950276      7.319900      4.072289
  C      -4.162237      6.060958      3.910073
  O      -3.598558      5.818451      2.852262
  C      -4.038668      5.081240      5.094948
  C      -4.662752      8.395395      3.214342
  C      -8.422459     -5.535954      4.274750
  C      -7.327664     -4.634568      4.811889
  O      -6.282328     -5.112246      5.261193
  C      -7.552807     -3.155751      4.766585
  C      -8.739268     -2.579602      4.255655
  C      -8.877506     -1.193907      4.211851
  C      -7.842291     -0.384169      4.669696
  F      -8.028353      0.957891      4.583981
  C      -6.641006     -0.904253      5.193006
  C      -5.461385     -0.116195      5.658174
  O      -4.452343     -0.709203      6.039341
  C      -5.478735      1.427247      5.598634
  C      -6.541930     -2.307653      5.228092
  H      -3.249494     -7.383873      3.846636
  H      -4.696389     -6.325035      4.049579
  H      -4.096931     -6.720687      2.409551
  H      -5.179475     -4.778113      1.978148
  H      -6.095387     -2.515505      1.414955
  H      -0.702065     -0.779221      4.301683
  H      -1.813921     -1.209300      5.634710
  H      -1.966319     -2.921464      4.164049
  H      -5.556949     12.498955      3.408670
  H      -6.755965     11.869968      2.248061
  H      -5.286993     12.712697      1.646471
  H      -6.861047     10.744259      4.372661
  H      -7.451524      8.837977      5.872470
  H      -4.195887      5.628720      6.042752
  H      -4.870972      4.357842      4.997032
  H      -3.882774      8.258959      2.459446
  H      -9.361167     -5.381818      4.834963
  H      -8.110012     -6.583595      4.372321
  H      -8.624974     -5.309798      3.213310
  H      -9.555406     -3.205908      3.885588
  H      -9.781762     -0.722051      3.816110
  H      -6.326567      1.765957      6.226335
  H      -5.716701      1.725109      4.566574
  H      -5.617139     -2.744832      5.613838
  N      -1.200752      2.833912      3.446416
  N      -0.400983      3.078920      2.593571
  H       0.536381      3.399917      2.999622
89
Coordinates from ORCA-job orca E -6561.594064703690
  N      -1.454691      0.839932      5.465916
  Mo     -2.583558      2.386644      4.917190
  N      -4.221342      2.047841      5.992560
  C      -4.154104      2.339475      7.432522
  C      -2.720681      2.154891      7.920766
  N      -1.766876      2.849154      6.998965
  C      -0.399608      2.270301      7.089009
  C      -0.389383      0.887946      6.435139
  C      -1.717071      4.326862      7.248097
  C      -1.672400      5.008254      5.874565
  N      -2.737427      4.385154      5.113385
  H       0.596641      0.710816      5.959139
  H      -0.520911      0.083572      7.189993
  H       0.274075      2.948440      6.547495
  H      -0.078601      2.226520      8.144474
  H      -1.799769      6.101657      5.962670
  H      -0.696559      4.826651      5.392302
  H      -2.640148      4.624603      7.765522
  H      -0.856355      4.574630      7.892861
  H      -4.794913      1.649405      8.008169
  H      -4.516995      3.367581      7.645318
  H      -2.487021      1.082988      7.890034
  H      -2.587261      2.522533      8.954246
  C      -3.937232     -6.457335      3.382581
  C      -3.026331     -5.251878      3.477934
  O      -1.880935     -5.348876      3.919066
  C      -3.577121     -3.921680      3.058943
  C      -4.726349     -3.796966      2.251231
  C      -5.197766     -2.524124      1.911253
  C      -4.556301     -1.396725      2.400197
  F      -5.086479     -0.195801      2.066823
  C      -3.404063     -1.463412      3.238276
  C      -2.788539     -0.325688      3.859032
  O      -3.163193      0.891409      3.615794
  C      -1.649035     -0.457389      4.837972
  C      -2.936224     -2.771167      3.522639
  C      -5.710846     12.037663      2.424733
  C      -4.919907     10.746698      2.373123
  O      -3.972948     10.615799      1.601678
  C      -5.322207      9.628303      3.290179
  C      -6.369336      9.754367      4.224283
  C      -6.707116      8.682216      5.048737
  C      -5.986129      7.497067      4.946222
  F      -6.377118      6.463508      5.735479
  C      -4.923936      7.323125      4.041177
  C      -4.092442      6.082254      3.893771
  O      -3.490964      5.868208      2.853793
  C      -3.987909      5.099133      5.078175
  C      -4.629480      8.414898      3.210162
  C      -8.315433     -5.592410      4.395862
  C      -7.256826     -4.662603      4.953299
  O      -6.232899     -5.113178      5.470776
  C      -7.486525     -3.189280      4.851661
  C      -8.652857     -2.638953      4.274047
  C      -8.802380     -1.257683      4.181532
  C      -7.789690     -0.428743      4.656010
  F      -7.980140      0.908791      4.532382
  C      -6.607576     -0.924549      5.238236
  C      -5.444850     -0.109438      5.714881
  O      -4.459771     -0.677446      6.177785
  C      -5.465773      1.423604      5.584082
  C      -6.499053     -2.321782      5.325111
  H      -3.426618     -7.334523      3.798668
  H      -4.866001     -6.260050      3.943526
  H      -4.211251     -6.660502      2.333701
  H      -5.246037     -4.680295      1.876167
  H      -6.079720     -2.392560      1.280124
  H      -0.734444     -0.806512      4.301950
  H      -1.868965     -1.214959      5.616513
  H      -2.057507     -2.907105      4.156996
  H      -5.646157     12.492887      3.427385
  H      -6.777401     11.852464      2.215098
  H      -5.307193     12.736088      1.682099
  H      -6.931031     10.686861      4.312001
  H      -7.528474      8.746708      5.766057
  H      -4.176443      5.638710      6.025391
  H      -4.816278      4.375678      4.954184
  H      -3.819467      8.309009      2.484052
  H      -9.283147     -5.429857      4.899818
  H      -7.997836     -6.631216      4.545410
  H      -8.470843     -5.406356      3.319739
  H      -9.447503     -3.283763      3.892923
  H      -9.692722     -0.805771      3.738424
  H      -6.330387      1.789497      6.172944
  H      -5.679776      1.677256      4.535448
  H      -5.586628     -2.737988      5.757929
  N      -1.205480      2.869159      3.485526
  N      -0.410954      3.124796      2.625925
  H       0.563063      3.373836      3.009587
89
Coordinates from ORCA-job orca E -6561.600491138969
  N      -1.450860      0.816290      5.479834
  Mo     -2.556922      2.379768      4.927604
  N      -4.209399      2.048583      6.012753
  C      -4.135704      2.356584      7.445300
  C      -2.705216      2.162418      7.932913
  N      -1.742344      2.838712      7.008724
  C      -0.385530      2.238639      7.099582
  C      -0.396716      0.852012      6.456348
  C      -1.677854      4.316723      7.248336
  C      -1.622344      4.996498      5.877713
  N      -2.687606      4.395616      5.107512
  H       0.591445      0.654997      5.992542
  H      -0.545014      0.055125      7.215857
  H       0.296101      2.906967      6.557384
  H      -0.066163      2.197864      8.154916
  H      -1.736118      6.090511      5.969493
  H      -0.647216      4.805708      5.399167
  H      -2.598924      4.619402      7.764463
  H      -0.819158      4.551087      7.899764
  H      -4.780850      1.678207      8.029412
  H      -4.490324      3.388163      7.649955
  H      -2.475102      1.090374      7.909933
  H      -2.563475      2.536900      8.961663
  C      -4.033514     -6.424713      3.365946
  C      -3.120613     -5.226053      3.484003
  O      -1.983451     -5.337868      3.937087
  C      -3.648627     -3.889992      3.066833
  C      -4.789627     -3.748622      2.252503
  C      -5.231816     -2.468350      1.905057
  C      -4.572320     -1.353204      2.392695
  F      -5.065405     -0.139651      2.049636
  C      -3.432733     -1.433998      3.241820
  C      -2.802873     -0.314452      3.862887
  O      -3.163783      0.912598      3.625178
  C      -1.671303     -0.470303      4.847142
  C      -2.993081     -2.751949      3.534291
  C      -5.772184     12.013467      2.438763
  C      -4.946585     10.746984      2.394818
  O      -3.975515     10.653009      1.651433
  C      -5.342048      9.605786      3.282121
  C      -6.417650      9.690983      4.184382
  C      -6.751915      8.603309      4.986804
  C      -5.994981      7.440975      4.889895
  F      -6.376488      6.386199      5.655568
  C      -4.906470      7.308751      4.014519
  C      -4.033283      6.088960      3.876054
  O      -3.405338      5.905024      2.846963
  C      -3.933230      5.105901      5.059301
  C      -4.614492      8.414351      3.206351
  C      -8.225538     -5.586244      4.368945
  C      -7.208894     -4.647226      4.979798
  O      -6.210128     -5.085660      5.548581
  C      -7.441823     -3.177598      4.868828
  C      -8.580846     -2.637657      4.239529
  C      -8.741754     -1.260940      4.137121
  C      -7.756341     -0.424830      4.653343
  F      -7.957341      0.909483      4.525725
  C      -6.599194     -0.912481      5.284716
  C      -5.449070     -0.089197      5.795834
  O      -4.502459     -0.650908      6.327921
  C      -5.444402      1.430956      5.603046
  C      -6.482150     -2.304084      5.384561
  H      -3.527179     -7.304953      3.776170
  H      -4.969278     -6.238513      3.914925
  H      -4.296914     -6.615265      2.313906
  H      -5.321289     -4.621959      1.877078
  H      -6.102955     -2.319824      1.266306
  H      -0.763381     -0.844365      4.316960
  H      -1.905729     -1.223243      5.626761
  H      -2.124441     -2.903951      4.174186
  H      -5.753518     12.457425      3.446164
  H      -6.825774     11.805748      2.197466
  H      -5.364979     12.730164      1.718206
  H      -7.004625     10.605787      4.264337
  H      -7.593333      8.636332      5.678764
  H      -4.146611      5.641347      6.003555
  H      -4.758507      4.381963      4.920398
  H      -3.783326      8.339062      2.503475
  H      -9.219703     -5.435527      4.817337
  H      -7.904126     -6.619573      4.535377
  H      -8.329315     -5.402821      3.288271
  H      -9.349482     -3.290146      3.825685
  H      -9.614576     -0.818689      3.657022
  H      -6.317484      1.831525      6.154864
  H      -5.637381      1.645870      4.541334
  H      -5.585902     -2.710923      5.854465
  N      -1.243756      2.882716      3.508890
  N      -0.471993      3.141306      2.614182
  H       0.526278      3.339880      2.949593
89
Coordinates from ORCA-job orca E -6561.605485765592
  N      -1.452340      0.794430      5.490234
  Mo     -2.533867      2.371659      4.927782
  N      -4.195815      2.057652      6.029885
  C      -4.114661      2.387543      7.452317
  C      -2.685638      2.183062      7.937959
  N      -1.715053      2.835642      7.006155
  C      -0.369503      2.213313      7.098605
  C      -0.406830      0.819448      6.472549
  C      -1.633518      4.313397      7.235507
  C      -1.574648      4.989025      5.865552
  N      -2.643187      4.405965      5.092652
  H       0.581751      0.596614      6.020445
  H      -0.573532      0.035277      7.241810
  H       0.321939      2.866075      6.550353
  H      -0.048771      2.178199      8.153686
  H      -1.675371      6.084115      5.960259
  H      -0.601468      4.789708      5.386054
  H      -2.551043      4.624156      7.752570
  H      -0.773846      4.537942      7.889049
  H      -4.764011      1.724357      8.049303
  H      -4.459174      3.424956      7.644470
  H      -2.465030      1.109230      7.927924
  H      -2.534185      2.568645      8.960933
  C      -4.099703     -6.414616      3.377521
  C      -3.193251     -5.215679      3.519300
  O      -2.068103     -5.330349      3.998508
  C      -3.707004     -3.878793      3.092080
  C      -4.831001     -3.733071      2.257269
  C      -5.251999     -2.450444      1.893621
  C      -4.588549     -1.339939      2.382588
  F      -5.051758     -0.121774      2.015474
  C      -3.467944     -1.422675      3.254869
  C      -2.827971     -0.310865      3.874476
  O      -3.171506      0.922503      3.635531
  C      -1.703309     -0.485672      4.862879
  C      -3.050389     -2.745202      3.565856
  C      -5.832403     12.003351      2.470588
  C      -4.975797     10.758983      2.429585
  O      -3.984667     10.700453      1.710611
  C      -5.364128      9.595085      3.287957
  C      -6.463068      9.640490      4.162397
  C      -6.792193      8.535910      4.941677
  C      -6.004571      7.394113      4.847635
  F      -6.377250      6.320019      5.590681
  C      -4.894014      7.301632      3.997894
  C      -3.985309      6.102950      3.863173
  O      -3.337233      5.949607      2.842060
  C      -3.884912      5.115032      5.040305
  C      -4.606080      8.423188      3.213119
  C      -8.165829     -5.568427      4.321693
  C      -7.181719     -4.633150      4.985728
  O      -6.213718     -5.073723      5.600281
  C      -7.404272     -3.162745      4.870743
  C      -8.509927     -2.622229      4.193091
  C      -8.669478     -1.247071      4.084725
  C      -7.706738     -0.412677      4.644620
  F      -7.907735      0.920537      4.517609
  C      -6.580391     -0.901267      5.322734
  C      -5.444693     -0.073576      5.872331
  O      -4.540948     -0.627558      6.479830
  C      -5.419475      1.434918      5.621644
  C      -6.465957     -2.291406      5.430323
  H      -3.597011     -7.293304      3.793712
  H      -5.047604     -6.238707      3.906404
  H      -4.340892     -6.601358      2.320266
  H      -5.363491     -4.603052      1.877840
  H      -6.107428     -2.295517      1.236559
  H      -0.805430     -0.890403      4.337939
  H      -1.955831     -1.229879      5.647141
  H      -2.195041     -2.903407      4.220349
  H      -5.852640     12.432719      3.483326
  H      -6.873936     11.775729      2.200434
  H      -5.423947     12.739564      1.771630
  H      -7.072852     10.539580      4.238542
  H      -7.650513      8.539109      5.611892
  H      -4.114498      5.646276      5.983815
  H      -4.710796      4.393195      4.891600
  H      -3.757255      8.377494      2.530262
  H      -9.181125     -5.420040      4.717829
  H      -7.852747     -6.601707      4.500142
  H      -8.216648     -5.381296      3.238858
  H      -9.257871     -3.275299      3.745197
  H      -9.521021     -0.805126      3.569509
  H      -6.305062      1.862855      6.132530
  H      -5.589135      1.607189      4.547085
  H      -5.590866     -2.697884      5.937013
  N      -1.293114      2.885443      3.513014
  N      -0.557983      3.138069      2.579095
  H       0.453696      3.280764      2.865798
89
Coordinates from ORCA-job orca E -6561.609374825457
  N      -1.456810      0.775591      5.499291
  Mo     -2.516831      2.360604      4.920259
  N      -4.182879      2.079306      6.040552
  C      -4.095660      2.435830      7.451504
  C      -2.668987      2.215370      7.937515
  N      -1.690017      2.838932      6.995241
  C      -0.355380      2.195368      7.092290
  C      -0.419674      0.792449      6.489199
  C      -1.590312      4.316053      7.213282
  C      -1.533153      4.983768      5.841357
  N      -2.607282      4.410938      5.071279
  H       0.568176      0.539342      6.051026
  H      -0.608302      0.026011      7.271445
  H       0.346618      2.827962      6.533689
  H      -0.031585      2.169038      8.146920
  H      -1.622395      6.080158      5.935437
  H      -0.562629      4.776620      5.358358
  H      -2.503520      4.638217      7.731297
  H      -0.728050      4.535765      7.865175
  H      -4.753283      1.794557      8.063304
  H      -4.423893      3.482138      7.625884
  H      -2.466626      1.137884      7.945225
  H      -2.508240      2.615033      8.953792
  C      -4.139910     -6.430199      3.383425
  C      -3.247317     -5.225847      3.558039
  O      -2.130299     -5.337732      4.056436
  C      -3.760222     -3.888163      3.130649
  C      -4.873486     -3.740021      2.283415
  C      -5.282958     -2.456755      1.909783
  C      -4.616646     -1.348688      2.398740
  F      -5.059689     -0.128602      2.012703
  C      -3.509456     -1.433207      3.286958
  C      -2.858931     -0.321018      3.900394
  O      -3.186805      0.912198      3.652119
  C      -1.736409     -0.505050      4.889284
  C      -3.105448     -2.756284      3.611026
  C      -5.878947     12.005856      2.516178
  C      -4.994057     10.781386      2.478070
  O      -3.981295     10.757568      1.787574
  C      -5.381445      9.593936      3.303691
  C      -6.505396      9.599303      4.146619
  C      -6.831640      8.475020      4.897749
  C      -6.016940      7.352029      4.807500
  F      -6.384944      6.259222      5.524937
  C      -4.882542      7.298486      3.986577
  C      -3.944196      6.121610      3.855126
  O      -3.273302      5.998981      2.844225
  C      -3.845174      5.123644      5.022162
  C      -4.596148      8.439662      3.230012
  C      -8.096007     -5.546262      4.259645
  C      -7.143361     -4.614381      4.972228
  O      -6.200580     -5.058325      5.621725
  C      -7.365174     -3.143186      4.858856
  C      -8.446479     -2.604763      4.143445
  C      -8.610393     -1.229813      4.037700
  C      -7.673407     -0.393943      4.637251
  F      -7.885022      0.938510      4.517327
  C      -6.568176     -0.880118      5.351597
  C      -5.452997     -0.048203      5.939580
  O      -4.585649     -0.593842      6.609856
  C      -5.403335      1.450740      5.637005
  C      -6.450246     -2.271315      5.456800
  H      -3.634973     -7.309848      3.794928
  H      -5.097297     -6.272278      3.900200
  H      -4.361991     -6.603390      2.319701
  H      -5.405544     -4.608689      1.900141
  H      -6.128352     -2.299096      1.240368
  H      -0.850407     -0.941537      4.369386
  H      -2.005960     -1.234622      5.682892
  H      -2.257211     -2.917505      4.274025
  H      -5.938482     12.415571      3.535452
  H      -6.906856     11.760692      2.211463
  H      -5.466753     12.763773      1.842961
  H      -7.136898     10.483616      4.220130
  H      -7.708158      8.448494      5.543680
  H      -4.081706      5.649917      5.967862
  H      -4.675462      4.407759      4.866988
  H      -3.728466      8.423871      2.569936
  H      -9.127497     -5.403779      4.613497
  H      -7.788049     -6.580450      4.442334
  H      -8.101221     -5.349436      3.177388
  H      -9.173708     -3.259580      3.664696
  H      -9.446519     -0.789324      3.496408
  H      -6.296908      1.906020      6.110379
  H      -5.551928      1.580863      4.553377
  H      -5.591978     -2.676490      5.992436
  N      -1.335257      2.875033      3.494731
  N      -0.641389      3.112795      2.521306
  H       0.380276      3.185532      2.760454
89
Coordinates from ORCA-job orca E -6561.612542647356
  N      -1.458390      0.758951      5.503393
  Mo     -2.499310      2.346217      4.899793
  N      -4.169021      2.106966      6.030847
  C      -4.081853      2.493740      7.430354
  C      -2.660331      2.253582      7.924493
  N      -1.669029      2.845173      6.973958
  C      -0.345322      2.182257      7.083320
  C      -0.434536      0.769956      6.507471
  C      -1.550524      4.321535      7.179948
  C      -1.494755      4.978829      5.804437
  N      -2.574492      4.410453      5.039783
  H       0.553279      0.483825      6.090039
  H      -0.651803      0.025324      7.303406
  H       0.368468      2.791768      6.513702
  H      -0.020845      2.167562      8.138284
  H      -1.574276      6.076616      5.894354
  H      -0.526738      4.764449      5.318100
  H      -2.459722      4.657846      7.696576
  H      -0.685985      4.539202      7.829584
  H      -4.753327      1.880069      8.055306
  H      -4.388919      3.550577      7.581556
  H      -2.482224      1.171925      7.953711
  H      -2.494238      2.669013      8.933831
  C      -4.145514     -6.463114      3.408415
  C      -3.267586     -5.251638      3.606284
  O      -2.159080     -5.353951      4.125657
  C      -3.786041     -3.915882      3.174760
  C      -4.888866     -3.770651      2.314369
  C      -5.295500     -2.489448      1.930757
  C      -4.632388     -1.379448      2.420146
  F      -5.068105     -0.161150      2.020001
  C      -3.536157     -1.462252      3.321600
  C      -2.879964     -0.343349      3.926798
  O      -3.196282      0.884875      3.663858
  C      -1.759967     -0.527670      4.918160
  C      -3.138442     -2.781383      3.660081
  C      -5.926185     12.018530      2.593134
  C      -5.011472     10.815514      2.554004
  O      -3.975314     10.832239      1.898092
  C      -5.399386      9.599232      3.336810
  C      -6.550098      9.557511      4.142557
  C      -6.872049      8.407689      4.855924
  C      -6.029024      7.305579      4.766712
  F      -6.391291      6.190352      5.451170
  C      -4.869109      7.297391      3.979388
  C      -3.902079      6.145862      3.848145
  O      -3.203447      6.060278      2.851520
  C      -3.808309      5.129289      4.998106
  C      -4.585666      8.464332      3.260830
  C      -8.061314     -5.511319      4.207676
  C      -7.127836     -4.586105      4.955323
  O      -6.205125     -5.037584      5.628712
  C      -7.345928     -3.113562      4.842876
  C      -8.407947     -2.574019      4.098774
  C      -8.569424     -1.198234      3.994502
  C      -7.651219     -0.363568      4.623115
  F      -7.866708      0.969279      4.506939
  C      -6.563609     -0.849815      5.365865
  C      -5.469028     -0.016206      5.984734
  O      -4.640626     -0.550351      6.715596
  C      -5.389974      1.471896      5.632356
  C      -6.447410     -2.243205      5.468307
  H      -3.637227     -7.342188      3.817805
  H      -5.108643     -6.317938      3.918817
  H      -4.353235     -6.627709      2.340223
  H      -5.416374     -4.641207      1.927772
  H      -6.133608     -2.335077      1.250973
  H      -0.884013     -0.994255      4.407667
  H      -2.046950     -1.238467      5.723425
  H      -2.296518     -2.940019      4.332475
  H      -6.028766     12.398799      3.620669
  H      -6.936877     11.756889      2.246337
  H      -5.510053     12.803923      1.954203
  H      -7.205026     10.425074      4.216850
  H      -7.767638      8.345981      5.473557
  H      -4.048181      5.646442      5.949551
  H      -4.644421      4.422008      4.834548
  H      -3.697680      8.484243      2.627983
  H      -9.102527     -5.368990      4.532878
  H      -7.761772     -6.548125      4.391505
  H      -8.032642     -5.305502      3.127163
  H      -9.120759     -3.227562      3.596636
  H      -9.391942     -0.756024      3.433189
  H      -6.288003      1.956393      6.067851
  H      -5.517009      1.558258      4.541865
  H      -5.604053     -2.649914      6.026566
  N      -1.363171      2.852501      3.449602
  N      -0.714336      3.067008      2.437698
  H       0.314947      3.070951      2.630738
89
Coordinates from ORCA-job orca E -6561.615081545065
  N      -1.472850      0.745119      5.507624
  Mo     -2.491158      2.334720      4.874165
  N      -4.167687      2.140272      6.004033
  C      -4.086336      2.556886      7.394389
  C      -2.673620      2.294551      7.904868
  N      -1.664071      2.853144      6.951616
  C      -0.353377      2.169099      7.081378
  C      -0.469478      0.748781      6.533854
  C      -1.522387      4.329001      7.144937
  C      -1.462027      4.974309      5.764532
  N      -2.548304      4.411033      5.005638
  H       0.518293      0.425613      6.144817
  H      -0.725205      0.028985      7.341293
  H       0.374954      2.752677      6.502618
  H      -0.032267      2.166888      8.137813
  H      -1.529266      6.073880      5.846973
  H      -0.496504      4.748983      5.277106
  H      -2.426991      4.684222      7.657563
  H      -0.655702      4.542106      7.793365
  H      -4.776443      1.973370      8.027719
  H      -4.368987      3.624086      7.520407
  H      -2.522963      1.209263      7.955267
  H      -2.506324      2.724294      8.908277
  C      -4.161830     -6.493070      3.409572
  C      -3.296897     -5.277666      3.639876
  O      -2.199730     -5.374533      4.184198
  C      -3.815020     -3.942068      3.202905
  C      -4.901844     -3.796475      2.322914
  C      -5.304986     -2.516163      1.932094
  C      -4.648985     -1.405265      2.430680
  F      -5.079845     -0.188350      2.022677
  C      -3.566588     -1.490436      3.348326
  C      -2.907237     -0.366521      3.949682
  O      -3.210376      0.856875      3.670232
  C      -1.794595     -0.549443      4.949348
  C      -3.176529     -2.806206      3.699207
  C      -5.944836     12.053424      2.685901
  C      -5.003670     10.870005      2.648576
  O      -3.941299     10.927196      2.037645
  C      -5.399250      9.622827      3.378179
  C      -6.580474      9.533752      4.135380
  C      -6.904341      8.356391      4.801786
  C      -6.035339      7.273999      4.715855
  F      -6.398291      6.135123      5.358715
  C      -4.846168      7.311340      3.973002
  C      -3.853345      6.183383      3.843275
  O      -3.118945      6.140924      2.869590
  C      -3.775270      5.140362      4.969844
  C      -4.560056      8.506063      3.301715
  C      -7.993075     -5.511904      4.211624
  C      -7.075162     -4.575609      4.967406
  O      -6.157259     -5.018227      5.654093
  C      -7.306092     -3.104954      4.844693
  C      -8.363987     -2.581125      4.081841
  C      -8.537093     -1.207007      3.968905
  C      -7.638661     -0.358973      4.607572
  F      -7.871423      0.970654      4.485098
  C      -6.556209     -0.827931      5.370488
  C      -5.489355      0.021631      6.010193
  O      -4.691744     -0.490997      6.791030
  C      -5.388307      1.496878      5.608940
  C      -6.426368     -2.221245      5.478609
  H      -3.654676     -7.375298      3.814647
  H      -5.131681     -6.358445      3.911983
  H      -4.352851     -6.643403      2.335874
  H      -5.422285     -4.667836      1.926873
  H      -6.133037     -2.363607      1.239059
  H      -0.926994     -1.046781      4.454523
  H      -2.103047     -1.237575      5.766950
  H      -2.344909     -2.964150      4.385364
  H      -6.097198     12.397644      3.720437
  H      -6.934053     11.781559      2.287383
  H      -5.519559     12.867703      2.089972
  H      -7.256863     10.385453      4.208865
  H      -7.821937      8.258946      5.382521
  H      -4.019581      5.644508      5.928987
  H      -4.618411      4.445482      4.791599
  H      -3.648523      8.562314      2.704812
  H      -9.039291     -5.376375      4.525133
  H      -7.688656     -6.546294      4.403139
  H      -7.951627     -5.309437      3.130484
  H      -9.062253     -3.244353      3.571427
  H      -9.356891     -0.775805      3.394074
  H      -6.288890      2.006746      6.008770
  H      -5.494921      1.541508      4.513837
  H      -5.588559     -2.616389      6.054290
  N      -1.391595      2.821604      3.391499
  N      -0.791343      3.005416      2.343848
  H       0.244980      2.946205      2.488570
89
Coordinates from ORCA-job orca E -6561.617107468121
  N      -1.463227      0.735795      5.504749
  Mo     -2.467421      2.323126      4.843811
  N      -4.153641      2.161254      5.961207
  C      -4.083931      2.601845      7.344762
  C      -2.681995      2.322871      7.877474
  N      -1.653439      2.858039      6.929730
  C      -0.353290      2.160287      7.083537
  C      -0.487151      0.734739      6.558756
  C      -1.495563      4.333054      7.114809
  C      -1.428495      4.969702      5.730546
  N      -2.517473      4.409631      4.974089
  H       0.502277      0.380977      6.203104
  H      -0.783439      0.037068      7.371643
  H       0.387388      2.723481      6.500113
  H      -0.039221      2.169366      8.142147
  H      -1.487477      6.070380      5.806663
  H      -0.463834      4.737071      5.244631
  H      -2.397314      4.702731      7.622329
  H      -0.628708      4.542314      7.763984
  H      -4.793621      2.044357      7.979367
  H      -4.345271      3.676594      7.447975
  H      -2.552928      1.235759      7.943759
  H      -2.520033      2.762833      8.877300
  C      -4.125266     -6.525384      3.444003
  C      -3.267827     -5.305136      3.676395
  O      -2.180753     -5.390537      4.241775
  C      -3.787516     -3.974243      3.224248
  C      -4.861491     -3.835649      2.328290
  C      -5.267479     -2.559237      1.927462
  C      -4.623203     -1.442667      2.430351
  F      -5.060899     -0.230074      2.018965
  C      -3.550604     -1.522759      3.359219
  C      -2.896131     -0.391312      3.957876
  O      -3.193649      0.826869      3.665162
  C      -1.794799     -0.566955      4.970204
  C      -3.160636     -2.832763      3.723702
  C      -5.991146     12.074824      2.792818
  C      -5.016173     10.918505      2.761500
  O      -3.928043     11.024229      2.204715
  C      -5.411959      9.637211      3.429540
  C      -6.624407      9.491116      4.126410
  C      -6.944445      8.283231      4.737581
  C      -6.042532      7.227426      4.658216
  F      -6.401277      6.060914      5.250952
  C      -4.822449      7.320572      3.971920
  C      -3.796183      6.223127      3.846687
  O      -3.018775      6.235451      2.905801
  C      -3.739009      5.145688      4.940858
  C      -4.539887      8.545636      3.356054
  C      -8.049667     -5.480138      4.239617
  C      -7.113237     -4.548999      4.980698
  O      -6.195713     -4.998066      5.663467
  C      -7.327081     -3.076835      4.844801
  C      -8.378341     -2.549799      4.074199
  C      -8.534414     -1.175023      3.946903
  C      -7.630300     -0.330601      4.581571
  F      -7.846729      1.000242      4.444378
  C      -6.557095     -0.801763      5.355758
  C      -5.500275      0.049052      6.005304
  O      -4.740123     -0.447991      6.832825
  C      -5.373052      1.511713      5.566922
  C      -6.440785     -2.196202      5.473790
  H      -3.616946     -7.405294      3.852836
  H      -5.094048     -6.390379      3.948555
  H      -4.314236     -6.678236      2.370545
  H      -5.373519     -4.710746      1.929056
  H      -6.089473     -2.414612      1.225597
  H      -0.930345     -1.087127      4.495343
  H      -2.123608     -1.234224      5.797474
  H      -2.338959     -2.984089      4.423398
  H      -6.200752     12.377772      3.830325
  H      -6.951684     11.789756      2.337246
  H      -5.561753     12.920809      2.245923
  H      -7.327600     10.321298      4.195920
  H      -7.884462      8.142200      5.271963
  H      -3.995874      5.630150      5.908700
  H      -4.584812      4.462059      4.738050
  H      -3.603913      8.646052      2.804305
  H      -9.091224     -5.327820      4.561011
  H      -7.758571     -6.517077      4.438480
  H      -8.012608     -5.287817      3.156487
  H      -9.081619     -3.209916      3.566821
  H      -9.347144     -0.740050      3.364632
  H      -6.273047      2.043938      5.937367
  H      -5.462411      1.525280      4.469430
  H      -5.611851     -2.594967      6.059986
  N      -1.409131      2.793203      3.326734
  N      -0.866562      2.946364      2.242089
  H       0.173473      2.843804      2.331149
89
Coordinates from ORCA-job orca E -6561.618801410351
  N      -1.501622      0.724354      5.510868
  Mo     -2.480631      2.318315      4.824841
  N      -4.175741      2.197936      5.927403
  C      -4.111739      2.661886      7.306243
  C      -2.722570      2.359388      7.859644
  N      -1.671287      2.863487      6.917659
  C      -0.387683      2.140840      7.094603
  C      -0.553060      0.712336      6.592082
  C      -1.482561      4.337254      7.089211
  C      -1.403861      4.959734      5.697879
  N      -2.504084      4.412803      4.948334
  H       0.432526      0.319806      6.269166
  H      -0.895629      0.040154      7.408306
  H       0.368347      2.677025      6.505112
  H      -0.078752      2.159995      8.154674
  H      -1.441937      6.062310      5.762419
  H      -0.443846      4.705748      5.213542
  H      -2.375248      4.732488      7.593592
  H      -0.610799      4.534194      7.735633
  H      -4.842595      2.133541      7.941216
  H      -4.346227      3.744140      7.387493
  H      -2.620166      1.270435      7.939389
  H      -2.562099      2.807283      8.856219
  C      -4.185252     -6.541993      3.404803
  C      -3.339827     -5.322366      3.683665
  O      -2.267493     -5.412104      4.275865
  C      -3.849485     -3.987019      3.231934
  C      -4.907815     -3.839653      2.319040
  C      -5.304420     -2.560779      1.916923
  C      -4.662536     -1.447811      2.432741
  F      -5.089700     -0.233547      2.019064
  C      -3.602905     -1.537729      3.375124
  C      -2.943483     -0.408630      3.975524
  O      -3.225372      0.809303      3.670729
  C      -1.854663     -0.584381      5.000499
  C      -3.225801     -2.849047      3.745239
  C      -5.968922     12.131663      2.876542
  C      -4.975023     10.990822      2.857448
  O      -3.863550     11.129092      2.356573
  C      -5.381848      9.683899      3.467613
  C      -6.623691      9.499407      4.100793
  C      -6.952577      8.268634      4.659636
  C      -6.030761      7.228768      4.592389
  F      -6.398215      6.041756      5.136251
  C      -4.781539      7.359453      3.967173
  C      -3.733782      6.279021      3.852553
  O      -2.911573      6.337335      2.952932
  C      -3.711867      5.168242      4.913767
  C      -4.490331      8.607330      3.403651
  C      -7.870453     -5.536264      4.287660
  C      -6.969076     -4.565031      5.021778
  O      -6.042072     -4.975250      5.716145
  C      -7.231177     -3.101977      4.867964
  C      -8.294746     -2.617416      4.085311
  C      -8.495514     -1.249398      3.945270
  C      -7.624082     -0.369437      4.578050
  F      -7.883144      0.952116      4.428271
  C      -6.541246     -0.797474      5.364091
  C      -5.523509      0.092027      6.022612
  O      -4.777062     -0.371468      6.880604
  C      -5.393985      1.539777      5.539759
  C      -6.380453     -2.186184      5.494891
  H      -3.681331     -7.429608      3.802806
  H      -5.162685     -6.420770      3.897544
  H      -4.355976     -6.670670      2.325220
  H      -5.417437     -4.711271      1.908192
  H      -6.116171     -2.411850      1.203854
  H      -0.997736     -1.133296      4.546397
  H      -2.206855     -1.225371      5.839078
  H      -2.415622     -3.006133      4.457276
  H      -6.231246     12.399671      3.911977
  H      -6.902284     11.846113      2.367287
  H      -5.528125     13.000310      2.375930
  H      -7.342976     10.316794      4.161032
  H      -7.914316      8.097798      5.144913
  H      -3.978982      5.637146      5.888511
  H      -4.565270      4.504212      4.684834
  H      -3.530949      8.737836      2.900000
  H      -8.918452     -5.414050      4.601989
  H      -7.546802     -6.560426      4.502561
  H      -7.832736     -5.357599      3.201947
  H      -8.972874     -3.304858      3.579622
  H      -9.318998     -0.846417      3.354686
  H      -6.293752      2.086821      5.887851
  H      -5.473537      1.521929      4.441688
  H      -5.544660     -2.552609      6.093011
  N      -1.465488      2.753253      3.266653
  N      -0.990311      2.866996      2.146693
  H       0.051949      2.724189      2.168883
89
Coordinates from ORCA-job orca E -6561.620441345136
  N      -1.489724      0.720188      5.503319
  Mo     -2.462265      2.313775      4.802308
  N      -4.169968      2.210413      5.878928
  C      -4.120978      2.687740      7.255635
  C      -2.745211      2.373067      7.834648
  N      -1.673477      2.864300      6.909071
  C      -0.399526      2.131027      7.108719
  C      -0.575939      0.702227      6.615861
  C      -1.471989      4.336525      7.076383
  C      -1.381209      4.952166      5.681530
  N      -2.482607      4.412694      4.928966
  H       0.410636      0.286349      6.328381
  H      -0.959708      0.045551      7.426228
  H       0.367283      2.653441      6.520573
  H      -0.100432      2.156581      8.171361
  H      -1.408959      6.055396      5.739667
  H      -0.421062      4.687058      5.203999
  H      -2.361287      4.743955      7.576782
  H      -0.599872      4.526459      7.724067
  H      -4.871233      2.177783      7.882241
  H      -4.338811      3.773837      7.320424
  H      -2.655847      1.283579      7.919280
  H      -2.597042      2.823034      8.832073
  C      -4.143580     -6.560343      3.410919
  C      -3.299331     -5.338623      3.683829
  O      -2.230630     -5.423300      4.282748
  C      -3.809761     -4.006292      3.224833
  C      -4.865925     -3.863473      2.308906
  C      -5.268520     -2.587051      1.905845
  C      -4.633680     -1.470269      2.423001
  F      -5.070935     -0.258511      2.014828
  C      -3.574434     -1.556264      3.365572
  C      -2.921239     -0.424552      3.967806
  O      -3.202180      0.792086      3.658324
  C      -1.846285     -0.593413      5.006708
  C      -3.192289     -2.865045      3.738222
  C      -5.992078     12.159994      2.975853
  C      -4.969628     11.044545      2.974798
  O      -3.834935     11.227565      2.545876
  C      -5.377470      9.706983      3.513446
  C      -6.649101      9.470909      4.064481
  C      -6.978780      8.213324      4.559042
  C      -6.028368      7.198339      4.510285
  F      -6.398084      5.985414      4.991746
  C      -4.748556      7.380153      3.964926
  C      -3.668271      6.327486      3.869024
  O      -2.791979      6.446936      3.028540
  C      -3.682726      5.176816      4.885564
  C      -4.456851      8.654500      3.465064
  C      -7.931728     -5.531881      4.377785
  C      -7.000971     -4.555460      5.066649
  O      -6.061825     -4.960566      5.746978
  C      -7.252337     -3.093195      4.888812
  C      -8.321835     -2.614159      4.111001
  C      -8.514329     -1.247568      3.949077
  C      -7.630036     -0.363548      4.558080
  F      -7.878869      0.957121      4.387727
  C      -6.543874     -0.786215      5.341971
  C      -5.527129      0.110725      5.992917
  O      -4.801764     -0.337588      6.876030
  C      -5.385990      1.549355      5.488118
  C      -6.389225     -2.173206      5.491799
  H      -3.634407     -7.447288      3.803366
  H      -5.114428     -6.440200      3.916451
  H      -4.328450     -6.688677      2.333998
  H      -5.371968     -4.737149      1.898158
  H      -6.081383     -2.443299      1.193151
  H      -0.988301     -1.155878      4.573429
  H      -2.216041     -1.217199      5.850644
  H      -2.385832     -3.017901      4.455210
  H      -6.320456     12.383265      4.002848
  H      -6.886667     11.871489      2.402966
  H      -5.545697     13.056692      2.533188
  H      -7.391187     10.268413      4.110178
  H      -7.962296      8.002512      4.980459
  H      -3.975393      5.620389      5.866385
  H      -4.533614      4.527088      4.615502
  H      -3.473320      8.825549      3.024154
  H      -8.969784     -5.389447      4.715364
  H      -7.614993     -6.554522      4.609129
  H      -7.919117     -5.379443      3.287620
  H      -9.010743     -3.305073      3.625185
  H      -9.341242     -0.848533      3.360831
  H      -6.284369      2.106781      5.822835
  H      -5.457196      1.518793      4.390157
  H      -5.553206     -2.536572      6.091330
  N      -1.492863      2.735140      3.213488
  N      -1.087080      2.823696      2.063610
  H      -0.049053      2.659780      2.019630
89
Coordinates from ORCA-job orca E -6561.621824315214
  N      -1.497709      0.713110      5.497218
  Mo     -2.465974      2.310156      4.791537
  N      -4.179872      2.226614      5.849572
  C      -4.137599      2.719039      7.222541
  C      -2.774099      2.389892      7.820974
  N      -1.685062      2.863389      6.908041
  C      -0.422571      2.114787      7.121669
  C      -0.615281      0.686997      6.636189
  C      -1.465148      4.332963      7.067235
  C      -1.365762      4.937797      5.667343
  N      -2.473835      4.410639      4.916497
  H       0.368752      0.246584      6.379406
  H      -1.036671      0.045687      7.439889
  H       0.353099      2.621894      6.531522
  H      -0.127178      2.144852      8.185083
  H      -1.376120      6.041575      5.716113
  H      -0.409062      4.653102      5.194767
  H      -2.346049      4.756450      7.568887
  H      -0.587754      4.513438      7.710018
  H      -4.904558      2.229052      7.844136
  H      -4.337283      3.808781      7.270063
  H      -2.699098      1.299941      7.910223
  H      -2.633861      2.841867      8.818541
  C      -4.140020     -6.573243      3.390289
  C      -3.301587     -5.349672      3.672608
  O      -2.240456     -5.433448      4.284410
  C      -3.811023     -4.017401      3.213844
  C      -4.866201     -3.873874      2.296850
  C      -5.270515     -2.597499      1.896995
  C      -4.638328     -1.480715      2.417276
  F      -5.078499     -0.268564      2.014173
  C      -3.579106     -1.567305      3.359359
  C      -2.928867     -0.436656      3.965897
  O      -3.209173      0.780083      3.657029
  C      -1.863082     -0.602786      5.012592
  C      -3.195891     -2.876522      3.730028
  C      -5.989783     12.196043      3.052620
  C      -4.944945     11.102183      3.081734
  O      -3.788849     11.323486      2.736621
  C      -5.357137      9.738601      3.545859
  C      -6.656576      9.458604      4.002725
  C      -6.990167      8.178950      4.433273
  C      -6.016392      7.185435      4.414204
  F      -6.391566      5.950867      4.832910
  C      -4.708277      7.410611      3.960346
  C      -3.600110      6.381945      3.895380
  O      -2.669102      6.556911      3.126167
  C      -3.661114      5.191085      4.860484
  C      -4.412465      8.706979      3.523964
  C      -7.891744     -5.550647      4.443654
  C      -6.961918     -4.559878      5.111587
  O      -6.010738     -4.949201      5.783638
  C      -7.225371     -3.101651      4.919888
  C      -8.301217     -2.637280      4.142352
  C      -8.505186     -1.273902      3.968214
  C      -7.624677     -0.378315      4.565937
  F      -7.876774      0.939799      4.381685
  C      -6.534952     -0.786975      5.350602
  C      -5.529344      0.127565      5.994991
  O      -4.811956     -0.299944      6.894646
  C      -5.393124      1.557128      5.465177
  C      -6.367915     -2.170207      5.512958
  H      -3.625452     -7.460830      3.773485
  H      -5.109155     -6.463193      3.900322
  H      -4.330759     -6.693272      2.313872
  H      -5.371267     -4.746733      1.883973
  H      -6.083723     -2.453930      1.184971
  H      -1.006557     -1.177758      4.594835
  H      -2.246437     -1.210900      5.861761
  H      -2.391805     -3.029475      4.449402
  H      -6.391416     12.375396      4.061743
  H      -6.837428     11.911618      2.410929
  H      -5.534614     13.116745      2.673024
  H      -7.417306     10.238943      4.025248
  H      -7.993680      7.934327      4.782358
  H      -3.981265      5.609589      5.845233
  H      -4.510261      4.562032      4.544296
  H      -3.406166      8.912564      3.155579
  H      -8.927268     -5.411414      4.789326
  H      -7.564865     -6.567779      4.684624
  H      -7.891011     -5.412159      3.351722
  H      -8.986395     -3.337864      3.665474
  H      -9.336397     -0.886442      3.378760
  H      -6.292167      2.117621      5.793375
  H      -5.464531      1.512325      4.368031
  H      -5.528922     -2.523048      6.114079
  N      -1.553125      2.716370      3.168193
  N      -1.230036      2.781493      1.989359
  H      -0.198988      2.623857      1.872437
89
Coordinates from ORCA-job orca E -6561.622967950108
  N      -1.506831      0.708571      5.489420
  Mo     -2.484573      2.308938      4.796807
  N      -4.197882      2.238262      5.841213
  C      -4.157576      2.738546      7.213208
  C      -2.803398      2.397021      7.824048
  N      -1.703989      2.859909      6.921116
  C      -0.448381      2.100283      7.136315
  C      -0.650279      0.675137      6.649593
  C      -1.471103      4.327487      7.071818
  C      -1.368075      4.921615      5.666577
  N      -2.483463      4.404244      4.918704
  H       0.332056      0.219394      6.415122
  H      -1.099041      0.041472      7.444257
  H       0.330199      2.599500      6.542939
  H      -0.151036      2.130730      8.199095
  H      -1.361716      6.025419      5.704545
  H      -0.415746      4.615975      5.198515
  H      -2.342539      4.763077      7.579495
  H      -0.585559      4.501655      7.704890
  H      -4.936785      2.262708      7.830127
  H      -4.342867      3.830568      7.249091
  H      -2.737238      1.306462      7.912599
  H      -2.670510      2.846899      8.823699
  C      -4.120925     -6.583318      3.338837
  C      -3.292526     -5.356287      3.636108
  O      -2.230643     -5.441597      4.246645
  C      -3.808433     -4.023248      3.189234
  C      -4.873807     -3.878766      2.283440
  C      -5.288238     -2.601478      1.898025
  C      -4.656921     -1.485389      2.420415
  F      -5.108465     -0.272183      2.032419
  C      -3.587163     -1.572543      3.350682
  C      -2.940504     -0.444547      3.963206
  O      -3.228328      0.773388      3.663458
  C      -1.875892     -0.608775      5.009440
  C      -3.193924     -2.883459      3.707281
  C      -5.957479     12.232972      3.084839
  C      -4.902734     11.150774      3.155241
  O      -3.730183     11.394015      2.889214
  C      -5.325027      9.771403      3.559113
  C      -6.646783      9.465818      3.926472
  C      -6.990296      8.172734      4.306102
  C      -6.004567      7.191019      4.324211
  F      -6.391008      5.944032      4.693991
  C      -4.673781      7.441254      3.957769
  C      -3.548765      6.426722      3.930197
  O      -2.565590      6.647010      3.241319
  C      -3.657748      5.201306      4.843844
  C      -4.367733      8.751493      3.572415
  C      -7.845190     -5.579381      4.506708
  C      -6.910162     -4.574921      5.144841
  O      -5.943464     -4.948846      5.803370
  C      -7.193868     -3.120614      4.951082
  C      -8.284833     -2.670446      4.186586
  C      -8.508369     -1.310237      4.010756
  C      -7.630251     -0.402932      4.594482
  F      -7.895968      0.912343      4.409251
  C      -6.527563     -0.798098      5.367619
  C      -5.527700      0.132118      6.000469
  O      -4.799887     -0.282991      6.897362
  C      -5.409896      1.561217      5.464174
  C      -6.340842     -2.177761      5.532919
  H      -3.592487     -7.471915      3.699897
  H      -5.086572     -6.495498      3.859559
  H      -4.324822     -6.685850      2.263067
  H      -5.379163     -4.750794      1.869604
  H      -6.109744     -2.456654      1.195880
  H      -1.018628     -1.186289      4.597864
  H      -2.262307     -1.209734      5.862063
  H      -2.383229     -3.036969      4.419098
  H      -6.426428     12.383859      4.069307
  H      -6.758810     11.956021      2.383204
  H      -5.489933     13.167453      2.757607
  H      -7.417387     10.236637      3.919512
  H      -8.009830      7.908294      4.587328
  H      -4.008205      5.596203      5.829495
  H      -4.500853      4.592217      4.479470
  H      -3.343039      8.977445      3.273418
  H      -8.875163     -5.443154      4.869657
  H      -7.505765     -6.591139      4.752977
  H      -7.866791     -5.454165      3.413363
  H      -8.967548     -3.380989      3.720890
  H      -9.351318     -0.934855      3.430410
  H      -6.309243      2.114738      5.802835
  H      -5.490750      1.517563      4.368144
  H      -5.491600     -2.520517      6.125089
  N      -1.624804      2.718296      3.140946
  N      -1.379518      2.784689      1.943482
  H      -0.358113      2.636710      1.755948
89
Coordinates from ORCA-job orca E -6561.623842276179
  N      -1.517831      0.701123      5.487941
  Mo     -2.502814      2.307616      4.815323
  N      -4.210354      2.249200      5.860643
  C      -4.164035      2.756867      7.229950
  C      -2.815252      2.400814      7.843899
  N      -1.710630      2.851314      6.943511
  C      -0.463560      2.077372      7.151557
  C      -0.682952      0.656342      6.664489
  C      -1.461601      4.315984      7.088070
  C      -1.360646      4.904923      5.680543
  N      -2.485340      4.400335      4.938044
  H       0.295003      0.182225      6.449218
  H      -1.156649      0.032986      7.452860
  H       0.316907      2.567306      6.552706
  H      -0.158282      2.104214      8.212300
  H      -1.336056      6.008144      5.713180
  H      -0.414814      4.580703      5.211031
  H      -2.321927      4.762110      7.605413
  H      -0.566557      4.482261      7.709872
  H      -4.951046      2.295995      7.848403
  H      -4.333614      3.851452      7.257121
  H      -2.761399      1.309392      7.932189
  H      -2.681887      2.848416      8.844771
  C      -4.112680     -6.582510      3.265380
  C      -3.299154     -5.351899      3.587471
  O      -2.243222     -5.437961      4.208346
  C      -3.824456     -4.016740      3.159372
  C      -4.896355     -3.867860      2.261785
  C      -5.319441     -2.588086      1.894680
  C      -4.690119     -1.475357      2.425657
  F      -5.148587     -0.259574      2.052641
  C      -3.614041     -1.566689      3.348262
  C      -2.967928     -0.442876      3.969479
  O      -3.260731      0.776333      3.683116
  C      -1.899904     -0.613759      5.010072
  C      -3.213371     -2.880156      3.687575
  C      -5.943522     12.242788      3.050221
  C      -4.878907     11.174883      3.169957
  O      -3.697918     11.435474      2.963860
  C      -5.301434      9.788470      3.547885
  C      -6.635265      9.463773      3.849226
  C      -6.979315      8.164932      4.207693
  C      -5.982871      7.195813      4.269197
  F      -6.370668      5.944058      4.620868
  C      -4.639547      7.464738      3.967467
  C      -3.500307      6.465249      3.981543
  O      -2.480758      6.717474      3.358670
  C      -3.646911      5.212615      4.848797
  C      -4.332398      8.781231      3.604143
  C      -7.785073     -5.600594      4.531322
  C      -6.856092     -4.588596      5.165910
  O      -5.875503     -4.953953      5.808310
  C      -7.156005     -3.136490      4.977844
  C      -8.255732     -2.696007      4.221335
  C      -8.496907     -1.338027      4.051376
  C      -7.625839     -0.422912      4.633110
  F      -7.908848      0.889813      4.455815
  C      -6.514010     -0.808503      5.398354
  C      -5.522095      0.132073      6.029690
  O      -4.789107     -0.274922      6.926584
  C      -5.419590      1.562314      5.491940
  C      -6.309536     -2.186312      5.558605
  H      -3.571243     -7.471218      3.606246
  H      -5.079093     -6.521125      3.788561
  H      -4.319116     -6.664915      2.188337
  H      -5.399430     -4.737557      1.840520
  H      -6.145679     -2.438445      1.199048
  H      -1.048116     -1.198405      4.597890
  H      -2.288724     -1.210591      5.864741
  H      -2.397282     -3.037449      4.392484
  H      -6.464441     12.383864      4.009731
  H      -6.704689     11.957750      2.308279
  H      -5.472705     13.184706      2.750007
  H      -7.415074     10.224280      3.807265
  H      -8.007296      7.885899      4.439826
  H      -4.024874      5.585293      5.834374
  H      -4.484499      4.622950      4.443487
  H      -3.297605      9.021812      3.355944
  H      -8.813977     -5.475878      4.901112
  H      -7.433351     -6.609641      4.771460
  H      -7.815892     -5.472191      3.438492
  H      -8.932665     -3.413373      3.757584
  H      -9.348040     -0.971090      3.477624
  H      -6.320584      2.107991      5.838061
  H      -5.507905      1.517985      4.396593
  H      -5.453843     -2.522439      6.145067
  N      -1.707765      2.728989      3.134052
  N      -1.545781      2.802884      1.922186
  H      -0.534686      2.697851      1.671279
89
Coordinates from ORCA-job orca E -6561.624552883743
  N      -1.524564      0.699620      5.481424
  Mo     -2.531994      2.309482      4.847505
  N      -4.226891      2.251057      5.899092
  C      -4.172347      2.757036      7.269597
  C      -2.824784      2.390920      7.879595
  N      -1.722613      2.839738      6.978469
  C      -0.478204      2.058075      7.167899
  C      -0.705915      0.642881      6.670369
  C      -1.465307      4.302494      7.119831
  C      -1.371344      4.890262      5.711137
  N      -2.504500      4.393372      4.975009
  H       0.270390      0.160557      6.466514
  H      -1.195833      0.020548      7.449411
  H       0.298227      2.548577      6.564075
  H      -0.160565      2.075140      8.225370
  H      -1.332687      5.992325      5.739611
  H      -0.432001      4.551268      5.238130
  H      -2.315517      4.753083      7.649837
  H      -0.559824      4.464961      7.727553
  H      -4.962665      2.303519      7.889521
  H      -4.331445      3.852888      7.295237
  H      -2.776983      1.298635      7.961810
  H      -2.690204      2.831591      8.883633
  C      -4.100072     -6.574562      3.177130
  C      -3.299311     -5.342306      3.525028
  O      -2.242766     -5.432832      4.144659
  C      -3.832804     -4.004348      3.117517
  C      -4.917032     -3.850299      2.235084
  C      -5.350978     -2.567642      1.890888
  C      -4.720897     -1.459035      2.428997
  F      -5.191071     -0.240775      2.077130
  C      -3.632483     -1.555260      3.336897
  C      -2.989655     -0.436106      3.969489
  O      -3.296801      0.784714      3.705360
  C      -1.911907     -0.613146      4.998063
  C      -3.220981     -2.871636      3.652749
  C      -5.904864     12.246861      2.959497
  C      -4.841570     11.184756      3.130471
  O      -3.655397     11.445992      2.956697
  C      -5.271972      9.803116      3.516700
  C      -6.613641      9.479503      3.783177
  C      -6.965019      8.185147      4.150417
  C      -5.969270      7.218851      4.254052
  F      -6.366248      5.972674      4.614474
  C      -4.617738      7.486110      3.987408
  C      -3.476680      6.490596      4.037730
  O      -2.426274      6.761865      3.475496
  C      -3.655783      5.217779      4.865913
  C      -4.303156      8.799263      3.616359
  C      -7.733998     -5.628393      4.553855
  C      -6.804783     -4.609858      5.177554
  O      -5.814503     -4.967944      5.809114
  C      -7.121936     -3.159752      5.001366
  C      -8.231663     -2.725205      4.256271
  C      -8.487892     -1.368495      4.096891
  C      -7.621788     -0.448753      4.678388
  F      -7.917784      0.862498      4.510736
  C      -6.500149     -0.828614      5.432548
  C      -5.511966      0.117161      6.060894
  O      -4.759099     -0.290019      6.940960
  C      -5.434657      1.555177      5.539299
  C      -6.280449     -2.205168      5.582622
  H      -3.544876     -7.464185      3.492525
  H      -5.065376     -6.541310      3.704847
  H      -4.312739     -6.633049      2.099629
  H      -5.420607     -4.717228      1.808933
  H      -6.186469     -2.412059      1.207657
  H      -1.062478     -1.194063      4.576572
  H      -2.293696     -1.215120      5.851921
  H      -2.395977     -3.033327      4.346265
  H      -6.457585     12.402033      3.898826
  H      -6.640953     11.946365      2.198581
  H      -5.427481     13.185328      2.658812
  H      -7.393761     10.237116      3.706918
  H      -7.998529      7.906823      4.357551
  H      -4.062616      5.568333      5.848878
  H      -4.482834      4.642659      4.421480
  H      -3.262011      9.038665      3.395396
  H      -8.760448     -5.509275      4.932317
  H      -7.373660     -6.635069      4.791114
  H      -7.775982     -5.501421      3.461141
  H      -8.904417     -3.446707      3.792895
  H      -9.346647     -1.006995      3.531146
  H      -6.335324      2.084914      5.908835
  H      -5.539440      1.524282      4.445025
  H      -5.417063     -2.537427      6.159740
  N      -1.793792      2.764877      3.140698
  N      -1.702363      2.877607      1.924848
  H      -0.704106      2.795569      1.615781
89
Coordinates from ORCA-job orca E -6561.625089444804
  N      -1.531932      0.697351      5.476870
  Mo     -2.552972      2.311019      4.875200
  N      -4.237188      2.251586      5.938941
  C      -4.175699      2.758007      7.308541
  C      -2.828604      2.381519      7.913812
  N      -1.728475      2.826504      7.009487
  C      -0.488985      2.034858      7.183236
  C      -0.731137      0.625861      6.678120
  C      -1.461717      4.286669      7.153932
  C      -1.371903      4.880546      5.747947
  N      -2.509893      4.393278      5.013374
  H       0.241333      0.130004      6.488865
  H      -1.241396      0.009537      7.448713
  H       0.286404      2.523563      6.576430
  H      -0.160615      2.040178      8.237810
  H      -1.322432      5.981555      5.779788
  H      -0.436930      4.535215      5.269668
  H      -2.305439      4.739780      7.692227
  H      -0.550597      4.443328      7.754985
  H      -4.968623      2.313474      7.931761
  H      -4.323672      3.855367      7.332751
  H      -2.790116      1.288573      7.992969
  H      -2.688628      2.817648      8.919224
  C      -4.090520     -6.559289      3.086237
  C      -3.305652     -5.325899      3.465558
  O      -2.252077     -5.418566      4.089961
  C      -3.848962     -3.985699      3.078553
  C      -4.939636     -3.826063      2.205295
  C      -5.382712     -2.541088      1.881133
  C      -4.753874     -1.436566      2.429035
  F      -5.232749     -0.216361      2.095496
  C      -3.659097     -1.538805      3.328549
  C      -3.017307     -0.423729      3.971277
  O      -3.332236      0.798344      3.725992
  C      -1.932352     -0.611151      4.989883
  C      -3.239861     -2.856763      3.625200
  C      -5.881389     12.238470      2.864007
  C      -4.816728     11.184159      3.071474
  O      -3.628723     11.447295      2.913669
  C      -5.248684      9.808251      3.476358
  C      -6.593634      9.484133      3.725951
  C      -6.945382      8.195946      4.113218
  C      -5.948163      7.235555      4.252605
  F      -6.346839      5.996905      4.634784
  C      -4.592887      7.502782      4.003159
  C      -3.449283      6.514148      4.087495
  O      -2.377113      6.800405      3.574309
  C      -3.652511      5.226214      4.884336
  C      -4.278042      8.810685      3.612635
  C      -7.689039     -5.653219      4.573316
  C      -6.760749     -4.630726      5.192757
  O      -5.765083     -4.985187      5.817603
  C      -7.088705     -3.181841      5.024172
  C      -8.203484     -2.752862      4.283701
  C      -8.469957     -1.397283      4.131307
  C      -7.610207     -0.473610      4.715483
  F      -7.921269      0.835403      4.557806
  C      -6.483117     -0.847272      5.465192
  C      -5.501916      0.102354      6.097232
  O      -4.744261     -0.301842      6.975017
  C      -5.440077      1.544048      5.584372
  C      -6.252727     -2.223500      5.607360
  H      -3.524019     -7.449228      3.380116
  H      -5.056710     -6.552657      3.613445
  H      -4.301514     -6.593473      2.007301
  H      -5.441077     -4.690255      1.770902
  H      -6.223419     -2.379965      1.205524
  H      -1.090864     -1.197383      4.560670
  H      -2.313498     -1.214520      5.843014
  H      -2.409877     -3.023528      4.311614
  H      -6.450808     12.407075      3.791008
  H      -6.602836     11.920266      2.096096
  H      -5.403409     13.173878      2.554821
  H      -7.375539     10.236595      3.621199
  H      -7.981021      7.917604      4.310030
  H      -4.089604      5.555680      5.861918
  H      -4.468754      4.663154      4.405511
  H      -3.233897      9.050053      3.406076
  H      -8.714915     -5.537541      4.954538
  H      -7.324541     -6.658635      4.809653
  H      -7.734329     -5.526661      3.480605
  H      -8.871609     -3.477528      3.818518
  H      -9.333230     -1.039986      3.569638
  H      -6.343066      2.063101      5.962953
  H      -5.551373      1.517266      4.490711
  H      -5.385744     -2.551883      6.181438
  N      -1.874855      2.801295      3.152918
  N      -1.851599      2.949299      1.937421
  H      -0.865508      2.922060      1.583064
89
Coordinates from ORCA-job orca E -6561.625519642141
  N      -1.543816      0.700988      5.476995
  Mo     -2.585179      2.318511      4.924552
  N      -4.253298      2.242891      6.006635
  C      -4.181789      2.738946      7.379971
  C      -2.830694      2.356874      7.971757
  N      -1.739610      2.808552      7.060517
  C      -0.500906      2.010637      7.207879
  C      -0.752469      0.610427      6.684479
  C      -1.467088      4.266388      7.214386
  C      -1.382434      4.873222      5.813780
  N      -2.524888      4.395662      5.080037
  H       0.217412      0.108103      6.499174
  H      -1.275162     -0.008648      7.444110
  H       0.268965      2.506324      6.599593
  H      -0.158514      1.997047      8.258101
  H      -1.325457      5.973041      5.853589
  H      -0.451351      4.526372      5.328011
  H      -2.305543      4.717861      7.762191
  H      -0.550794      4.416298      7.809508
  H      -4.972452      2.294190      8.005937
  H      -4.324789      3.836666      7.411318
  H      -2.794745      1.263160      8.041246
  H      -2.681732      2.783551      8.979939
  C      -4.084226     -6.524858      2.954287
  C      -3.309611     -5.294187      3.364545
  O      -2.260365     -5.393490      3.995130
  C      -3.866178     -3.949547      3.013303
  C      -4.968129     -3.778857      2.156403
  C      -5.423864     -2.490146      1.865811
  C      -4.795852     -1.393484      2.430459
  F      -5.287354     -0.169966      2.128609
  C      -3.689897     -1.507074      3.314957
  C      -3.050075     -0.400497      3.974360
  O      -3.376008      0.824827      3.756682
  C      -1.953965     -0.601459      4.977840
  C      -3.258729     -2.828274      3.578156
  C      -5.844003     12.209285      2.693927
  C      -4.783164     11.157585      2.932362
  O      -3.595456     11.406490      2.751793
  C      -5.219145      9.802046      3.397931
  C      -6.564111      9.495761      3.670076
  C      -6.918384      8.227368      4.115536
  C      -5.924852      7.268759      4.289524
  F      -6.326789      6.051012      4.729734
  C      -4.569300      7.518177      4.021095
  C      -3.430156      6.530174      4.141949
  O      -2.344648      6.808970      3.651629
  C      -3.657854      5.237205      4.923007
  C      -4.252379      8.807078      3.571953
  C      -7.627135     -5.685865      4.579879
  C      -6.709440     -4.658753      5.207968
  O      -5.697538     -5.007218      5.809516
  C      -7.053767     -3.212042      5.054398
  C      -8.178296     -2.787823      4.325696
  C      -8.458709     -1.433355      4.188690
  C      -7.604171     -0.506545      4.775445
  F      -7.931127      0.800379      4.632210
  C      -6.466828     -0.875167      5.512444
  C      -5.487893      0.075392      6.144363
  O      -4.708008     -0.333787      7.000111
  C      -5.452818      1.526215      5.657176
  C      -6.223024     -2.250809      5.639162
  H      -3.509397     -7.416978      3.224555
  H      -5.050666     -6.542013      3.480905
  H      -4.294896     -6.532225      1.874815
  H      -5.468029     -4.637113      1.708591
  H      -6.273226     -2.319428      1.203492
  H      -1.119084     -1.185008      4.533153
  H      -2.328279     -1.213751      5.827295
  H      -2.420154     -3.004662      4.251543
  H      -6.402434     12.417653      3.619557
  H      -6.575295     11.864357      1.946929
  H      -5.364580     13.128877      2.342515
  H      -7.343423     10.246532      3.537453
  H      -7.953702      7.962975      4.332514
  H      -4.123601      5.552818      5.891113
  H      -4.462265      4.681829      4.414411
  H      -3.207937      9.032368      3.351236
  H      -8.652913     -5.588824      4.966369
  H      -7.247945     -6.689131      4.801767
  H      -7.678306     -5.546053      3.488869
  H      -8.842474     -3.514693      3.858317
  H      -9.329418     -1.079296      3.636469
  H      -6.355458      2.026430      6.060768
  H      -5.580737      1.519010      4.565184
  H      -5.348059     -2.575549      6.203313
  N      -1.959851      2.854381      3.188328
  N      -1.991745      3.057567      1.981647
  H      -1.020381      3.046626      1.583910
89
Coordinates from ORCA-job orca E -6561.625915027630
  N      -1.565814      0.709200      5.472730
  Mo     -2.627615      2.326713      4.966604
  N      -4.276842      2.228823      6.074701
  C      -4.194544      2.715126      7.450415
  C      -2.836589      2.331692      8.024741
  N      -1.759346      2.793403      7.102198
  C      -0.518561      1.993965      7.221647
  C      -0.777608      0.601760      6.681999
  C      -1.486321      4.248950      7.271240
  C      -1.408709      4.874202      5.878822
  N      -2.551944      4.403612      5.143701
  H       0.189586      0.094807      6.496097
  H      -1.308327     -0.020230      7.433209
  H       0.243098      2.499111      6.610772
  H      -0.160786      1.962531      8.266434
  H      -1.352659      5.973374      5.932516
  H      -0.478361      4.537055      5.384029
  H      -2.323324      4.694111      7.826265
  H      -0.568136      4.393109      7.864902
  H      -4.979745      2.267498      8.080995
  H      -4.336209      3.812829      7.489222
  H      -2.799591      1.237616      8.086087
  H      -2.674222      2.751471      9.033561
  C      -4.075291     -6.489158      2.821718
  C      -3.319866     -5.260571      3.274005
  O      -2.266008     -5.363735      3.895658
  C      -3.892072     -3.913824      2.956522
  C      -5.004020     -3.734896      2.114819
  C      -5.474901     -2.444867      1.856517
  C      -4.849662     -1.354365      2.436467
  F      -5.356793     -0.129744      2.167533
  C      -3.732467     -1.476729      3.305349
  C      -3.094483     -0.376545      3.978264
  O      -3.431376      0.850631      3.785840
  C      -1.986462     -0.587809      4.965565
  C      -3.287875     -2.798728      3.537919
  C      -5.770831     12.197965      2.550387
  C      -4.722626     11.138806      2.811002
  O      -3.533480     11.364203      2.611692
  C      -5.173927      9.804527      3.322018
  C      -6.521824      9.523551      3.607163
  C      -6.888870      8.275166      4.096040
  C      -5.906361      7.311254      4.300333
  F      -6.322657      6.114175      4.780991
  C      -4.547738      7.535740      4.022259
  C      -3.419532      6.541791      4.177693
  O      -2.315898      6.815378      3.725366
  C      -3.675052      5.250528      4.952400
  C      -4.218554      8.805480      3.528845
  C      -7.543233     -5.732609      4.591662
  C      -6.628286     -4.697698      5.211417
  O      -5.609985     -5.037771      5.806497
  C      -6.999146     -3.255400      5.081771
  C      -8.136889     -2.840599      4.367733
  C      -8.438595     -1.488872      4.251028
  C      -7.594779     -0.556083      4.843684
  F      -7.944151      0.747134      4.718711
  C      -6.445877     -0.914868      5.567239
  C      -5.475496      0.041264      6.200731
  O      -4.681914     -0.365134      7.045857
  C      -5.470450      1.498110      5.732999
  C      -6.180428     -2.288667      5.672622
  H      -3.486373     -7.381062      3.060440
  H      -5.040141     -6.540037      3.348656
  H      -4.286417     -6.461441      1.742829
  H      -5.501283     -4.588131      1.654668
  H      -6.333603     -2.268088      1.208116
  H      -1.159765     -1.170457      4.505855
  H      -2.353743     -1.206287      5.813424
  H      -2.441953     -2.982719      4.199766
  H      -6.316615     12.441147      3.475004
  H      -6.513818     11.841256      1.820636
  H      -5.282418     13.099893      2.167210
  H      -7.292823     10.277988      3.449891
  H      -7.926533      8.030285      4.324288
  H      -4.172464      5.558087      5.906046
  H      -4.465070      4.699922      4.414667
  H      -3.171541      9.011068      3.300968
  H      -8.566084     -5.646425      4.988149
  H      -7.152012     -6.732388      4.808205
  H      -7.605284     -5.590977      3.501504
  H      -8.792768     -3.571445      3.895138
  H      -9.318355     -1.140843      3.709479
  H      -6.374166      1.979885      6.156322
  H      -5.614014      1.504493      4.643082
  H      -5.295377     -2.605787      6.225373
  N      -2.063359      2.906911      3.219395
  N      -2.155202      3.158718      2.024979
  H      -1.202232      3.185957      1.585548
89
Coordinates from ORCA-job orca E -6561.626342128584
  N      -1.598177      0.723433      5.471276
  Mo     -2.684297      2.341030      5.028161
  N      -4.306244      2.207993      6.171570
  C      -4.205438      2.672061      7.553404
  C      -2.835746      2.287336      8.097261
  N      -1.781761      2.770701      7.159225
  C      -0.534017      1.975688      7.235878
  C      -0.796323      0.594437      6.670588
  C      -1.513230      4.223247      7.355220
  C      -1.449855      4.878204      5.976333
  N      -2.594670      4.415907      5.240285
  H       0.169071      0.092028      6.465348
  H      -1.320462     -0.041630      7.414226
  H       0.211966      2.499628      6.621438
  H      -0.154646      1.921486      8.272039
  H      -1.401956      5.976423      6.053466
  H      -0.519595      4.561326      5.467576
  H      -2.348756      4.654407      7.923126
  H      -0.591983      4.358918      7.946125
  H      -4.979078      2.211627      8.188766
  H      -4.350557      3.768675      7.610364
  H      -2.791333      1.192865      8.141438
  H      -2.653311      2.693822      9.107869
  C      -4.054354     -6.427798      2.634397
  C      -3.318085     -5.203507      3.129721
  O      -2.256584     -5.310561      3.737066
  C      -3.917866     -3.856612      2.868470
  C      -5.047920     -3.667633      2.053648
  C      -5.545163     -2.378077      1.848967
  C      -4.925812     -1.297006      2.452824
  F      -5.460425     -0.073289      2.239437
  C      -3.788442     -1.430107      3.293580
  C      -3.151951     -0.341423      3.985959
  O      -3.503339      0.888171      3.829859
  C      -2.026000     -0.565598      4.948506
  C      -3.319913     -2.751510      3.475313
  C      -5.668865     12.168417      2.351790
  C      -4.638815     11.104246      2.660125
  O      -3.444922     11.304553      2.463536
  C      -5.114160      9.796899      3.217776
  C      -6.469673      9.542745      3.492071
  C      -6.858753      8.318382      4.022771
  C      -5.891189      7.351987      4.279581
  F      -6.331149      6.177370      4.793324
  C      -4.524883      7.551213      4.018376
  C      -3.410092      6.554157      4.235210
  O      -2.287564      6.812275      3.821856
  C      -3.703644      5.270700      5.009781
  C      -4.174049      8.797150      3.480914
  C      -7.444195     -5.784590      4.601121
  C      -6.532153     -4.742007      5.212409
  O      -5.486402     -5.070299      5.764735
  C      -6.938919     -3.306374      5.123446
  C      -8.103926     -2.902883      4.447077
  C      -8.436823     -1.555927      4.366303
  C      -7.598817     -0.616674      4.957163
  F      -7.979554      0.680869      4.867801
  C      -6.425644     -0.964117      5.646267
  C      -5.461663     -0.001384      6.277423
  O      -4.640498     -0.408721      7.096007
  C      -5.495920      1.464502      5.841070
  C      -6.128052     -2.333961      5.714282
  H      -3.447317     -7.317399      2.832789
  H      -5.013523     -6.518077      3.166172
  H      -4.274345     -6.360031      1.559207
  H      -5.540581     -4.512871      1.574165
  H      -6.420252     -2.194700      1.224826
  H      -1.206669     -1.138238      4.464706
  H      -2.377786     -1.198154      5.792382
  H      -2.459731     -2.944643      4.115681
  H      -6.217561     12.453100      3.262757
  H      -6.411265     11.797010      1.628954
  H      -5.163929     13.048484      1.940264
  H      -7.229226     10.298483      3.291798
  H      -7.902763      8.093559      4.242329
  H      -4.231123      5.579044      5.945137
  H      -4.478408      4.724648      4.443960
  H      -3.120758      8.981881      3.264110
  H      -8.455775     -5.728567      5.030302
  H      -7.024733     -6.779266      4.786051
  H      -7.542517     -5.623250      3.516362
  H      -8.755519     -3.637919      3.975231
  H      -9.336671     -1.215545      3.853691
  H      -6.396541      1.921697      6.296949
  H      -5.666273      1.494669      4.755615
  H      -5.222755     -2.641805      6.238881
  N      -2.186661      2.975005      3.273648
  N      -2.341293      3.279813      2.098628
  H      -1.413288      3.337158      1.611303
89
Coordinates from ORCA-job orca E -6561.626884015080
  N      -1.643745      0.746322      5.471271
  Mo     -2.755100      2.361548      5.099406
  N      -4.343015      2.178771      6.284301
  C      -4.219114      2.612236      7.673915
  C      -2.833351      2.231912      8.177289
  N      -1.811567      2.747252      7.220180
  C      -0.552426      1.964799      7.244679
  C      -0.812909      0.595942      6.649141
  C      -1.552118      4.195922      7.452035
  C      -1.507861      4.889047      6.091878
  N      -2.654036      4.433948      5.356020
  H       0.151369      0.107790      6.408906
  H      -1.316240     -0.062951      7.386925
  H       0.171113      2.515152      6.626479
  H      -0.147632      1.887193      8.269453
  H      -1.476752      5.985351      6.201163
  H      -0.576344      4.604555      5.566120
  H      -2.387440      4.606365      8.034874
  H      -0.628235      4.321421      8.040959
  H      -4.974806      2.129202      8.313712
  H      -4.374560      3.706005      7.756689
  H      -2.773683      1.137743      8.198783
  H      -2.625574      2.622742      9.188872
  C      -4.034460     -6.342224      2.423891
  C      -3.315661     -5.123914      2.959289
  O      -2.243302     -5.233267      3.546234
  C      -3.948913     -3.781055      2.765774
  C      -5.100692     -3.583295      1.984109
  C      -5.629916     -2.298101      1.844376
  C      -5.018493     -1.228390      2.476205
  F      -5.585932     -0.009691      2.330433
  C      -3.856578     -1.370752      3.281425
  C      -3.221441     -0.296736      3.995808
  O      -3.589042      0.934934      3.881915
  C      -2.074646     -0.533214      4.928497
  C      -3.359002     -2.688406      3.402161
  C      -5.532099     12.126671      2.127033
  C      -4.528735     11.056089      2.495085
  O      -3.328429     11.224338      2.308730
  C      -5.038109      9.782307      3.099287
  C      -6.403276      9.561376      3.353673
  C      -6.824279      8.365548      3.923936
  C      -5.878757      7.394958      4.239752
  F      -6.351068      6.245768      4.782158
  C      -4.503413      7.563666      4.005808
  C      -3.409185      6.561334      4.293719
  O      -2.269450      6.792973      3.914339
  C      -3.746297      5.297155      5.083956
  C      -4.120626      8.780850      3.426271
  C      -7.326158     -5.847185      4.607781
  C      -6.415887     -4.794255      5.203565
  O      -5.334434     -5.104320      5.693960
  C      -6.866676     -3.369487      5.168816
  C      -8.067244     -2.982412      4.546096
  C      -8.439157     -1.643786      4.512552
  C      -7.606168     -0.696098      5.097436
  F      -8.023780      0.592677      5.055442
  C      -6.401706     -1.027747      5.737919
  C      -5.445668     -0.055142      6.364538
  O      -4.592104     -0.461409      7.150638
  C      -5.527982      1.420115      5.967203
  C      -6.063560     -2.389841      5.756854
  H      -3.408003     -7.226950      2.578467
  H      -4.984540     -6.473237      2.963013
  H      -4.269268     -6.234287      1.355316
  H      -5.587625     -4.418421      1.481683
  H      -6.524632     -2.110424      1.250148
  H      -1.261307     -1.088093      4.415626
  H      -2.404723     -1.185011      5.766393
  H      -2.481680     -2.889798      4.015965
  H      -6.087203     12.460011      3.017385
  H      -6.271496     11.742376      1.408236
  H      -5.002793     12.978577      1.687750
  H      -7.145511     10.319802      3.105136
  H      -7.876473      8.165350      4.127039
  H      -4.296489      5.619961      5.998712
  H      -4.508438      4.752188      4.498459
  H      -3.059605      8.939717      3.227257
  H      -8.317208     -5.832224      5.085192
  H      -6.869566     -6.833008      4.746506
  H      -7.480340     -5.660995      3.533607
  H      -8.715350     -3.723025      4.078412
  H      -9.365379     -1.314830      4.041193
  H      -6.423098      1.846756      6.461774
  H      -5.732244      1.478733      4.888952
  H      -5.131829     -2.684083      6.241439
  N      -2.323687      3.053071      3.342913
  N      -2.538526      3.410893      2.193163
  H      -1.640470      3.495933      1.657392
89
Coordinates from ORCA-job orca E -6561.627482464798
  N      -1.687363      0.778442      5.464197
  Mo     -2.828992      2.384888      5.168823
  N      -4.376494      2.140216      6.396325
  C      -4.225824      2.538331      7.793427
  C      -2.821561      2.168975      8.249371
  N      -1.840475      2.726540      7.272767
  C      -0.565916      1.967525      7.239216
  C      -0.818167      0.611259      6.612566
  C      -1.597268      4.170883      7.544916
  C      -1.578922      4.906115      6.207406
  N      -2.726218      4.452906      5.474490
  H       0.145541      0.147168      6.328019
  H      -1.288757     -0.076561      7.345278
  H       0.128432      2.549661      6.616736
  H      -0.132801      1.870317      8.250274
  H      -1.573476      5.998612      6.354249
  H      -0.645599      4.664692      5.663190
  H      -2.433284      4.553111      8.144973
  H      -0.670141      4.288696      8.130064
  H      -4.958522      2.026200      8.436931
  H      -4.396121      3.627306      7.906140
  H      -2.739066      1.076320      8.243061
  H      -2.586807      2.542630      9.261211
  C      -4.023327     -6.252583      2.247022
  C      -3.317074     -5.039078      2.810053
  O      -2.231848     -5.147819      3.372417
  C      -3.979605     -3.703455      2.676152
  C      -5.154844     -3.502590      1.930881
  C      -5.711990     -2.224526      1.848668
  C      -5.105296     -1.163915      2.500041
  F      -5.700589      0.047156      2.413505
  C      -3.918501     -1.309475      3.267936
  C      -3.284727     -0.249139      4.001292
  O      -3.672423      0.982270      3.932281
  C      -2.115115     -0.492397      4.900985
  C      -3.394078     -2.621005      3.333034
  C      -5.383874     12.076761      1.915862
  C      -4.411669     10.999559      2.342665
  O      -3.204808     11.135305      2.173317
  C      -4.958809      9.761646      2.987201
  C      -6.333226      9.575343      3.217799
  C      -6.790215      8.409246      3.821513
  C      -5.870532      7.433998      4.193650
  F      -6.377143      6.311712      4.761930
  C      -4.487475      7.571020      3.989759
  C      -3.418652      6.562501      4.346420
  O      -2.264679      6.762151      3.994633
  C      -3.800503      5.324438      5.160489
  C      -4.067977      8.758211      3.375212
  C      -7.216140     -5.905494      4.599196
  C      -6.312141     -4.844790      5.189901
  O      -5.201783     -5.135386      5.624034
  C      -6.800961     -3.432532      5.207399
  C      -8.029327     -3.060227      4.630769
  C      -8.434980     -1.731183      4.642590
  C      -7.607858     -0.777593      5.226559
  F      -8.053486      0.502691      5.227689
  C      -6.378914     -1.095878      5.825013
  C      -5.432089     -0.114786      6.451114
  O      -4.549712     -0.520011      7.206221
  C      -5.558325      1.368109      6.094557
  C      -6.006106     -2.448469      5.798142
  H      -3.380123     -7.130708      2.365010
  H      -4.963776     -6.417634      2.792986
  H      -4.274713     -6.114430      1.185924
  H      -5.640016     -4.329340      1.413513
  H      -6.626459     -2.037260      1.285407
  H      -1.305068     -1.021441      4.357130
  H      -2.416886     -1.166724      5.731676
  H      -2.499416     -2.826454      3.919551
  H      -5.946521     12.456147      2.782623
  H      -6.118939     11.684275      1.197633
  H      -4.826865     12.899334      1.455439
  H      -7.054864     10.337232      2.924090
  H      -7.850223      8.235157      4.005908
  H      -4.366278      5.671785      6.054173
  H      -4.552533      4.777717      4.563085
  H      -2.999752      8.890217      3.196939
  H      -8.186386     -5.932826      5.116633
  H      -6.726216     -6.880824      4.689684
  H      -7.419982     -5.692494      3.538525
  H      -8.672992     -3.804662      4.163401
  H      -9.381932     -1.412615      4.206914
  H      -6.443773      1.764609      6.629370
  H      -5.799834      1.454919      5.026034
  H      -5.053653     -2.730422      6.248094
  N      -2.464996      3.137475      3.415256
  N      -2.742620      3.546675      2.297153
  H      -1.880421      3.665553      1.713163
89
Coordinates from ORCA-job orca E -6561.628224052987
  N      -1.728679      0.819349      5.455178
  Mo     -2.902787      2.411914      5.239123
  N      -4.406720      2.096161      6.503289
  C      -4.228783      2.456277      7.907453
  C      -2.805575      2.105054      8.313825
  N      -1.868937      2.711071      7.321323
  C      -0.578882      1.981647      7.229008
  C      -0.820962      0.638551      6.571889
  C      -1.644523      4.150509      7.633761
  C      -1.655284      4.927540      6.321009
  N      -2.805002      4.472852      5.594156
  H       0.141345      0.202603      6.242486
  H      -1.254999     -0.079317      7.298377
  H       0.083931      2.596219      6.603447
  H      -0.117328      1.868459      8.225409
  H      -1.677962      6.013888      6.507254
  H      -0.721455      4.732631      5.758636
  H      -2.480644      4.501002      8.252167
  H      -0.713006      4.262702      8.212892
  H      -4.934878      1.910130      8.552430
  H      -4.418374      3.538222      8.052898
  H      -2.695625      1.015579      8.275340
  H      -2.545778      2.460058      9.326078
  C      -4.023545     -6.156176      2.091793
  C      -3.326266     -4.947287      2.675716
  O      -2.228748     -5.055224      3.213803
  C      -4.014164     -3.620569      2.597522
  C      -5.213423     -3.419953      1.890943
  C      -5.793357     -2.149832      1.860618
  C      -5.187643     -1.097229      2.525259
  F      -5.805281      0.105588      2.490894
  C      -3.977371     -1.242798      3.256349
  C      -3.343450     -0.196176      4.006281
  O      -3.751898      1.032746      3.983071
  C      -2.150888     -0.443370      4.871996
  C      -3.429795     -2.547258      3.269343
  C      -5.230815     12.013106      1.707765
  C      -4.291706     10.932389      2.194616
  O      -3.079482     11.032873      2.038526
  C      -4.877266      9.735037      2.880436
  C      -6.259412      9.586312      3.090433
  C      -6.753802      8.454436      3.729395
  C      -5.862379      7.475449      4.156347
  F      -6.403237      6.385205      4.755626
  C      -4.473726      7.577387      3.977381
  C      -3.433541      6.562248      4.397468
  O      -2.268445      6.726333      4.066155
  C      -3.858951      5.354788      5.239558
  C      -4.015631      8.730364      3.326973
  C      -7.115859     -5.967538      4.586205
  C      -6.215424     -4.899965      5.169041
  O      -5.084001     -5.172727      5.557729
  C      -6.734700     -3.499988      5.233382
  C      -7.986357     -3.141200      4.699798
  C      -8.422011     -1.822897      4.755783
  C      -7.600015     -0.865287      5.340538
  F      -8.070397      0.405336      5.386665
  C      -6.349006     -1.171248      5.897718
  C      -5.411149     -0.182055      6.524598
  O      -4.499786     -0.585128      7.246485
  C      -5.581732      1.306996      6.212840
  C      -5.945639     -2.513140      5.827487
  H      -3.365701     -7.027019      2.177736
  H      -4.955181     -6.351353      2.642787
  H      -4.291500     -5.993447      1.038218
  H      -5.699945     -4.239469      1.363652
  H      -6.726589     -1.964755      1.328247
  H      -1.343468     -0.943245      4.297511
  H      -2.421406     -1.141044      5.694376
  H      -2.517107     -2.754251      3.826865
  H      -5.797556     12.441615      2.548502
  H      -5.964080     11.611091      0.993332
  H      -4.645837     12.802280      1.223992
  H      -6.958547     10.351242      2.753395
  H      -7.820579      8.309429      3.898509
  H      -4.432431      5.733858      6.113401
  H      -4.605468      4.805906      4.637652
  H      -2.941554      8.833106      3.166389
  H      -8.065435     -6.027827      5.137830
  H      -6.600813     -6.932796      4.636327
  H      -7.364032     -5.735798      3.539146
  H      -8.626678     -3.888646      4.232692
  H      -9.387486     -1.514781      4.354690
  H      -6.457724      1.668705      6.785912
  H      -5.858705      1.421240      5.155584
  H      -4.976005     -2.784139      6.245938
  N      -2.608084      3.226561      3.493974
  N      -2.955284      3.684872      2.415949
  H      -2.135432      3.843299      1.784272
89
Coordinates from ORCA-job orca E -6561.629213871540
  N      -1.762971      0.862427      5.449181
  Mo     -2.969044      2.437268      5.301242
  N      -4.432010      2.048952      6.586144
  C      -4.228720      2.373157      7.996535
  C      -2.787855      2.048643      8.356341
  N      -1.895599      2.705789      7.354014
  C      -0.590296      2.011736      7.211701
  C      -0.818637      0.677764      6.534267
  C      -1.692707      4.142526      7.696354
  C      -1.733886      4.953257      6.405632
  N      -2.890156      4.486938      5.694661
  H       0.141636      0.273476      6.161325
  H      -1.209144     -0.068518      7.257691
  H       0.040813      2.653256      6.580750
  H      -0.104762      1.896910      8.196221
  H      -1.787536      6.031265      6.628734
  H      -0.801457      4.804802      5.826293
  H      -2.527975      4.459385      8.333249
  H      -0.754877      4.255692      8.265017
  H      -4.905110      1.788964      8.639921
  H      -4.443448      3.445204      8.173559
  H      -2.644833      0.964658      8.282944
  H      -2.510373      2.385065      9.370430
  C      -4.036441     -6.076120      1.988783
  C      -3.341430     -4.870559      2.580099
  O      -2.229770     -4.979261      3.089484
  C      -4.044945     -3.551424      2.545472
  C      -5.267265     -3.354922      1.876809
  C      -5.859729     -2.089993      1.884365
  C      -5.249095     -1.042658      2.550624
  F      -5.877515      0.156386      2.548510
  C      -4.019519     -1.184565      3.250787
  C      -3.383826     -0.150666      4.012693
  O      -3.812825      1.073095      4.029643
  C      -2.171870     -0.396090      4.850180
  C      -3.456654     -2.484406      3.221864
  C      -5.085446     11.961986      1.542507
  C      -4.178780     10.878246      2.079763
  O      -2.962172     10.946238      1.935634
  C      -4.799724      9.719594      2.798134
  C      -6.187324      9.609485      2.993859
  C      -6.718943      8.511205      3.661563
  C      -5.856469      7.525151      4.130236
  F      -6.427137      6.470250      4.765027
  C      -4.465886      7.588628      3.964673
  C      -3.456570      6.558526      4.426042
  O      -2.285533      6.683483      4.099118
  C      -3.919692      5.388502      5.306408
  C      -3.967816      8.708847      3.287742
  C      -7.039117     -6.033742      4.569979
  C      -6.142183     -4.962429      5.149939
  O      -5.000187     -5.223392      5.514879
  C      -6.678586     -3.570056      5.244493
  C      -7.942936     -3.218468      4.739597
  C      -8.402051     -1.910002      4.830089
  C      -7.584611     -0.952123      5.420154
  F      -8.070533      0.310197      5.505693
  C      -6.317795     -1.251254      5.945140
  C      -5.389293     -0.253081      6.574925
  O      -4.455779     -0.651277      7.270974
  C      -5.596490      1.239889      6.301087
  C      -5.891110     -2.583118      5.844571
  H      -3.366533     -6.939722      2.050140
  H      -4.961704     -6.295219      2.542318
  H      -4.322129     -5.899278      0.941600
  H      -5.759829     -4.169858      1.348338
  H      -6.808565     -1.907637      1.379029
  H      -1.361524     -0.863109      4.251441
  H      -2.409339     -1.115652      5.664530
  H      -2.526148     -2.689389      3.750582
  H      -5.654469     12.434035      2.357892
  H      -5.819128     11.554333      0.831771
  H      -4.473684     12.718978      1.040446
  H      -6.863306     10.381314      2.625806
  H      -7.790806      8.398390      3.822642
  H      -4.477661      5.819057      6.166487
  H      -4.675865      4.840344      4.720401
  H      -2.890063      8.780974      3.137886
  H      -7.975261     -6.111748      5.142035
  H      -6.510586     -6.992671      4.594368
  H      -7.316073     -5.792210      3.532601
  H      -8.580355     -3.967732      4.271000
  H      -9.380343     -1.610690      4.454125
  H      -6.465313      1.567617      6.903549
  H      -5.900541      1.373048      5.253439
  H      -4.911374     -2.848510      6.241566
  N      -2.731911      3.302676      3.566051
  N      -3.163543      3.797722      2.536343
  H      -2.395788      4.003500      1.856710
89
Coordinates from ORCA-job orca E -6561.630116901631
  N      -1.800130      0.897149      5.452829
  Mo     -3.034331      2.454153      5.372805
  N      -4.454804      2.015985      6.681975
  C      -4.222803      2.313630      8.094363
  C      -2.768697      2.006796      8.411280
  N      -1.915991      2.699374      7.398290
  C      -0.602842      2.031536      7.207288
  C      -0.827071      0.706595      6.511585
  C      -1.728376      4.132407      7.764852
  C      -1.802169      4.967709      6.492366
  N      -2.965106      4.494951      5.791653
  H       0.129967      0.324949      6.107262
  H      -1.186204     -0.059677      7.230361
  H      -0.000228      2.695100      6.571319
  H      -0.089416      1.909380      8.176848
  H      -1.872757      6.038862      6.741088
  H      -0.875049      4.850529      5.897409
  H      -2.558070      4.423358      8.421103
  H      -0.782394      4.248874      8.319580
  H      -4.873842      1.705399      8.741545
  H      -4.449644      3.378514      8.296941
  H      -2.609231      0.927184      8.313327
  H      -2.471714      2.329117      9.424534
  C      -4.036698     -5.982353      1.837176
  C      -3.354054     -4.788037      2.464347
  O      -2.232129     -4.897075      2.951515
  C      -4.079095     -3.480808      2.486591
  C      -5.320039     -3.287126      1.851975
  C      -5.932515     -2.032854      1.910674
  C      -5.323104     -0.995002      2.591828
  F      -5.970695      0.193656      2.635873
  C      -4.075714     -1.134494      3.260498
  C      -3.440186     -0.111519      4.037474
  O      -3.886293      1.104669      4.092959
  C      -2.207131     -0.357881      4.843295
  C      -3.493143     -2.423894      3.180777
  C      -4.956466     11.880109      1.368375
  C      -4.076357     10.799799      1.954397
  O      -2.857201     10.838886      1.819310
  C      -4.726805      9.678934      2.704965
  C      -6.118533      9.601384      2.887197
  C      -6.679230      8.538334      3.586994
  C      -5.841324      7.553884      4.101652
  F      -6.437623      6.534963      4.769757
  C      -4.448192      7.584740      3.949611
  C      -3.465888      6.551640      4.458404
  O      -2.285327      6.652306      4.156360
  C      -3.965634      5.410769      5.358053
  C      -3.919846      8.670262      3.239552
  C      -6.944055     -6.070366      4.535107
  C      -6.053063     -4.989385      5.106530
  O      -4.895101     -5.231227      5.432214
  C      -6.619309     -3.612994      5.252871
  C      -7.902632     -3.277518      4.788467
  C      -8.388925     -1.982396      4.922969
  C      -7.578853     -1.021801      5.518155
  F      -8.090787      0.226108      5.648316
  C      -6.292610     -1.305945      6.004984
  C      -5.370460     -0.304297      6.637708
  O      -4.415977     -0.699531      7.307063
  C      -5.609882      1.190703      6.404328
  C      -5.838605     -2.624390      5.860393
  H      -3.351955     -6.836242      1.861119
  H      -4.955618     -6.238542      2.385971
  H      -4.334043     -5.772381      0.799013
  H      -5.811579     -4.094858      1.311544
  H      -6.895960     -1.852253      1.432865
  H      -1.404159     -0.804167      4.219221
  H      -2.417094     -1.094311      5.650087
  H      -2.546596     -2.627019      3.681416
  H      -5.525584     12.392293      2.159218
  H      -5.690662     11.460271      0.664847
  H      -4.324955     12.606601      0.846031
  H      -6.775365     10.372521      2.484201
  H      -7.754955      8.452338      3.739614
  H      -4.525356      5.874829      6.198821
  H      -4.723400      4.864134      4.773320
  H      -2.839262      8.717413      3.100618
  H      -7.857527     -6.180879      5.138088
  H      -6.393524     -7.017017      4.520450
  H      -7.263833     -5.814888      3.513403
  H      -8.533937     -4.029156      4.314999
  H      -9.382507     -1.696785      4.577464
  H      -6.468920      1.487754      7.035709
  H      -5.940078      1.341695      5.367194
  H      -4.843266     -2.877896      6.225034
  N      -2.869278      3.368809      3.646741
  N      -3.385620      3.899921      2.674973
  H      -2.668418      4.152967      1.955567
89
Coordinates from ORCA-job orca E -6561.630017618651
  N      -1.751916      0.867407      5.499054
  Mo     -2.985315      2.430032      5.387070
  N      -4.421950      2.020685      6.668046
  C      -4.186933      2.330108      8.080779
  C      -2.733847      2.026093      8.405163
  N      -1.868746      2.707773      7.395780
  C      -0.555723      2.037208      7.224570
  C      -0.777817      0.696196      6.556815
  C      -1.690539      4.151057      7.733727
  C      -1.781819      4.961786      6.448934
  N      -2.956261      4.463141      5.761801
  H       0.185269      0.317149      6.160097
  H      -1.120411     -0.063136      7.291048
  H       0.051517      2.685277      6.577046
  H      -0.042307      1.938606      8.198303
  H      -1.853071      6.036159      6.680707
  H      -0.861118      4.833347      5.848539
  H      -2.514695      4.439637      8.399623
  H      -0.737712      4.295575      8.271222
  H      -4.833000      1.725966      8.737490
  H      -4.412381      3.395532      8.279720
  H      -2.586448      0.943559      8.320996
  H      -2.455475      2.350839      9.423941
  C      -4.016946     -6.026166      1.880321
  C      -3.328443     -4.844126      2.521705
  O      -2.204145     -4.964837      3.004600
  C      -4.041215     -3.530182      2.544203
  C      -5.277111     -3.332462      1.901474
  C      -5.877890     -2.070479      1.948783
  C      -5.259295     -1.036116      2.625189
  F      -5.893118      0.162040      2.638003
  C      -4.022475     -1.180389      3.310724
  C      -3.387856     -0.150113      4.088114
  O      -3.827940      1.059811      4.124587
  C      -2.156902     -0.400880      4.905724
  C      -3.450757     -2.474622      3.239540
  C      -5.080373     11.899213      1.427944
  C      -4.167578     10.827944      1.981728
  O      -2.951815     10.891313      1.821040
  C      -4.784028      9.683066      2.721480
  C      -6.170174      9.587779      2.938771
  C      -6.701990      8.511508      3.638417
  C      -5.842139      7.529404      4.121594
  F      -6.403689      6.505972      4.806466
  C      -4.453394      7.569758      3.922603
  C      -3.457196      6.530833      4.379567
  O      -2.285166      6.637702      4.037713
  C      -3.929757      5.405067      5.306432
  C      -3.952682      8.669609      3.212474
  C      -7.058158     -6.014217      4.473026
  C      -6.157775     -4.946968      5.058543
  O      -5.021601     -5.220931      5.433639
  C      -6.697970     -3.558599      5.200540
  C      -7.957610     -3.193345      4.703688
  C      -8.417919     -1.886057      4.827359
  C      -7.603513     -0.947222      5.448249
  F      -8.099784      0.306799      5.568839
  C      -6.332787     -1.261362      5.966084
  C      -5.392677     -0.290685      6.618681
  O      -4.470413     -0.710189      7.316307
  C      -5.577638      1.208957      6.374118
  C      -5.907786     -2.590005      5.833063
  H      -3.337703     -6.885381      1.903848
  H      -4.948426     -6.281526      2.410290
  H      -4.298911     -5.808056      0.837916
  H      -5.769586     -4.141356      1.362648
  H      -6.834661     -1.877548      1.461405
  H      -1.356382     -0.862741      4.288292
  H      -2.374020     -1.134306      5.712917
  H      -2.504520     -2.676255      3.743124
  H      -5.648936     12.388381      2.234317
  H      -5.819005     11.464517      0.735360
  H      -4.476169     12.646129      0.902163
  H      -6.845163     10.359419      2.566014
  H      -7.773236      8.416903      3.821264
  H      -4.439448      5.917624      6.155242
  H      -4.731871      4.869330      4.777388
  H      -2.877159      8.731413      3.040685
  H      -7.987763     -6.098237      5.058020
  H      -6.533040     -6.975203      4.474167
  H      -7.351405     -5.758731      3.442611
  H      -8.590443     -3.930459      4.207925
  H      -9.396279     -1.583242      4.453032
  H      -6.444950      1.527066      6.984373
  H      -5.873577      1.345270      5.324563
  H      -4.926353     -2.870498      6.216462
  N      -2.774902      3.310249      3.641308
  N      -3.336813      3.831340      2.682855
  H      -2.612716      4.076361      1.956850
89
Coordinates from ORCA-job orca E -6561.631438595982
  N      -1.803166      0.922374      5.484824
  Mo     -3.063897      2.462984      5.457683
  N      -4.449296      1.981586      6.780255
  C      -4.182754      2.253327      8.193450
  C      -2.714380      1.972731      8.465887
  N      -1.897525      2.700629      7.447759
  C      -0.576964      2.060278      7.215565
  C      -0.794452      0.737672      6.508085
  C      -1.733833      4.131605      7.836787
  C      -1.862551      4.985072      6.584032
  N      -3.035568      4.495087      5.895722
  H       0.163095      0.387593      6.075017
  H      -1.109532     -0.047552      7.226453
  H      -0.002302      2.744719      6.575774
  H      -0.031302      1.931577      8.167395
  H      -1.953444      6.050432      6.853186
  H      -0.949686      4.899989      5.964195
  H      -2.552123      4.389832      8.521447
  H      -0.777211      4.266959      8.368443
  H      -4.798665      1.617805      8.848927
  H      -4.423866      3.308189      8.430627
  H      -2.547893      0.896179      8.348196
  H      -2.403577      2.278897      9.480093
  C      -4.033157     -5.888190      1.701773
  C      -3.350748     -4.712121      2.363425
  O      -2.211958     -4.819437      2.810760
  C      -4.092339     -3.415784      2.450330
  C      -5.348190     -3.219308      1.848422
  C      -5.976084     -1.975443      1.957738
  C      -5.361163     -0.951633      2.655805
  F      -6.023330      0.226480      2.741104
  C      -4.101672     -1.096777      3.297811
  C      -3.467916     -0.079036      4.091577
  O      -3.926309      1.124601      4.175407
  C      -2.212976     -0.332870      4.868672
  C      -3.504389     -2.372722      3.167334
  C      -4.909377     11.762410      1.204385
  C      -4.038498     10.691152      1.822750
  O      -2.818944     10.715407      1.689895
  C      -4.701405      9.602437      2.608724
  C      -6.093966      9.550569      2.796545
  C      -6.665716      8.520936      3.533981
  C      -5.841298      7.544014      4.083969
  F      -6.450322      6.562301      4.789573
  C      -4.444819      7.546811      3.924525
  C      -3.478328      6.517723      4.461278
  O      -2.293624      6.596422      4.161537
  C      -3.994708      5.428262      5.405539
  C      -3.906564      8.600159      3.173331
  C      -6.934416     -6.053550      4.446383
  C      -6.044305     -4.981868      5.039399
  O      -4.884415     -5.231671      5.353056
  C      -6.615385     -3.613140      5.231987
  C      -7.903455     -3.272238      4.787330
  C      -8.390815     -1.981309      4.963292
  C      -7.580925     -1.035073      5.580169
  F      -8.106331      0.202134      5.750639
  C      -6.287427     -1.324482      6.047918
  C      -5.355109     -0.347519      6.697979
  O      -4.395796     -0.759658      7.349493
  C      -5.595185      1.150541      6.501580
  C      -5.834113     -2.638234      5.860094
  H      -3.341618     -6.737310      1.682923
  H      -4.941910     -6.170536      2.254296
  H      -4.343178     -5.641723      0.674782
  H      -5.838038     -4.018616      1.293434
  H      -6.950850     -1.788041      1.506101
  H      -1.428495     -0.772279      4.217165
  H      -2.403094     -1.085752      5.664180
  H      -2.543503     -2.575844      3.640273
  H      -5.476053     12.301325      1.979572
  H      -5.645737     11.319438      0.516050
  H      -4.275089     12.468899      0.658914
  H      -6.741436     10.315387      2.367053
  H      -7.742848      8.456647      3.691112
  H      -4.525349      5.946856      6.232908
  H      -4.786387      4.887499      4.860232
  H      -2.825742      8.628806      3.026785
  H      -7.840410     -6.187974      5.057129
  H      -6.380543     -6.996951      4.397798
  H      -7.266625     -5.770193      3.435406
  H      -8.534734     -4.012555      4.295572
  H      -9.388900     -1.693659      4.632338
  H      -6.449278      1.429943      7.149471
  H      -5.933891      1.314177      5.469169
  H      -4.833755     -2.898559      6.207263
  N      -2.928548      3.395782      3.726380
  N      -3.512587      3.948550      2.800144
  H      -2.818870      4.215703      2.055085
89
Coordinates from ORCA-job orca E -6561.631879206642
  N      -1.817076      0.963407      5.470292
  Mo     -3.094247      2.489306      5.486213
  N      -4.449098      1.948080      6.824887
  C      -4.159695      2.180609      8.238896
  C      -2.679860      1.926302      8.470718
  N      -1.900263      2.701483      7.457127
  C      -0.569584      2.095127      7.188500
  C      -0.772335      0.783244      6.456389
  C      -1.757809      4.122333      7.888280
  C      -1.922103      5.011373      6.665094
  N      -3.094042      4.516452      5.984512
  H       0.178689      0.469617      5.984071
  H      -1.044875     -0.026504      7.165337
  H      -0.021180      2.806047      6.554703
  H      -0.007171      1.957969      8.128623
  H      -2.041348      6.064649      6.972280
  H      -1.017432      4.974739      6.028635
  H      -2.571318      4.344426      8.590703
  H      -0.797213      4.255472      8.412025
  H      -4.746333      1.508239      8.883978
  H      -4.423244      3.220985      8.514701
  H      -2.488224      0.858616      8.315465
  H      -2.349762      2.210726      9.484710
  C      -4.040256     -5.829699      1.668527
  C      -3.353047     -4.644639      2.309356
  O      -2.205807     -4.740733      2.735608
  C      -4.107647     -3.357600      2.421196
  C      -5.374792     -3.165729      1.841712
  C      -6.012430     -1.929615      1.972190
  C      -5.397152     -0.906377      2.671736
  F      -6.068864      0.263437      2.784677
  C      -4.125963     -1.048189      3.291644
  C      -3.490003     -0.035816      4.087256
  O      -3.956107      1.166311      4.189780
  C      -2.223599     -0.285581      4.844557
  C      -3.517963     -2.316546      3.138641
  C      -4.825010     11.684081      1.105634
  C      -3.976527     10.633418      1.786908
  O      -2.753693     10.650063      1.689450
  C      -4.667080      9.559443      2.570482
  C      -6.064422      9.514527      2.716900
  C      -6.661338      8.498796      3.454759
  C      -5.856299      7.529324      4.044950
  F      -6.491101      6.562234      4.750132
  C      -4.456637      7.525004      3.925661
  C      -3.506548      6.501142      4.507068
  O      -2.320062      6.554129      4.214536
  C      -4.045463      5.451137      5.484930
  C      -3.893416      8.563921      3.174183
  C      -6.923521     -6.066996      4.421471
  C      -6.028240     -5.001902      5.017281
  O      -4.864891     -5.252811      5.317103
  C      -6.601857     -3.638562      5.234762
  C      -7.899925     -3.298458      4.815615
  C      -8.390262     -2.012775      5.015568
  C      -7.574841     -1.069840      5.631141
  F      -8.099426      0.164830      5.823488
  C      -6.273876     -1.358498      6.074210
  C      -5.339029     -0.381136      6.722746
  O      -4.364960     -0.795293      7.350893
  C      -5.596913      1.117544      6.551289
  C      -5.816463     -2.667284      5.861678
  H      -3.347820     -6.677742      1.649942
  H      -4.939922     -6.105937      2.238068
  H      -4.363193     -5.593981      0.643530
  H      -5.867088     -3.964117      1.287818
  H      -6.996433     -1.748823      1.538710
  H      -1.443858     -0.707406      4.175991
  H      -2.393695     -1.047978      5.636157
  H      -2.547113     -2.516184      3.591903
  H      -5.418661     12.244717      1.843986
  H      -5.535398     11.221681      0.403960
  H      -4.171316     12.374956      0.563059
  H      -6.695990     10.273833      2.255555
  H      -7.742494      8.439848      3.581008
  H      -4.551357      6.002592      6.305475
  H      -4.854166      4.912400      4.964254
  H      -2.808863      8.585825      3.058512
  H      -7.818075     -6.215904      5.044718
  H      -6.365150     -7.006346      4.350060
  H      -7.273737     -5.769986      3.420856
  H      -8.535740     -4.034691      4.324262
  H      -9.394346     -1.724457      4.704311
  H      -6.442121      1.382251      7.216824
  H      -5.956084      1.298808      5.529062
  H      -4.809512     -2.925503      6.190629
  N      -2.967367      3.446003      3.768411
  N      -3.551084      4.003986      2.847457
  H      -2.872296      4.281474      2.096467
89
Coordinates from ORCA-job orca E -6561.632373641175
  N      -1.828837      0.993378      5.473585
  Mo     -3.125305      2.503466      5.542211
  N      -4.448704      1.921402      6.895735
  C      -4.133506      2.133105      8.306816
  C      -2.645458      1.897327      8.504614
  N      -1.895735      2.700831      7.490548
  C      -0.563441      2.116590      7.184159
  C      -0.764505      0.812299      6.436522
  C      -1.768319      4.115393      7.944907
  C      -1.972918      5.024681      6.744631
  N      -3.150984      4.527289      6.072940
  H       0.183533      0.517690      5.946071
  H      -1.015256     -0.009664      7.139279
  H      -0.037778      2.845202      6.550939
  H       0.023840      1.969468      8.107620
  H      -2.106467      6.069721      7.074762
  H      -1.080598      5.017895      6.089549
  H      -2.569004      4.310545      8.669986
  H      -0.799573      4.256072      8.450605
  H      -4.695449      1.440526      8.952682
  H      -4.406838      3.164062      8.608354
  H      -2.445027      0.834215      8.329049
  H      -2.299385      2.167738      9.517227
  C      -4.036649     -5.742845      1.558152
  C      -3.360835     -4.570540      2.234698
  O      -2.207940     -4.661922      2.645899
  C      -4.130244     -3.296061      2.388709
  C      -5.404364     -3.103630      1.825878
  C      -6.055696     -1.879242      1.992659
  C      -5.443670     -0.865973      2.710657
  F      -6.127245      0.292483      2.857870
  C      -4.163311     -1.008270      3.310998
  C      -3.528325     -0.001881      4.117072
  O      -4.004093      1.193426      4.243318
  C      -2.246507     -0.252674      4.848524
  C      -3.543581     -2.265479      3.124393
  C      -4.764705     11.577520      0.967066
  C      -3.928776     10.544227      1.689985
  O      -2.704377     10.559430      1.617116
  C      -4.634560      9.499924      2.500674
  C      -6.033910      9.465639      2.629945
  C      -6.643260      8.477771      3.395028
  C      -5.850385      7.525559      4.028248
  F      -6.500304      6.588549      4.759141
  C      -4.448780      7.511663      3.928454
  C      -3.509119      6.506219      4.557449
  O      -2.313943      6.565546      4.302230
  C      -4.073121      5.473086      5.536676
  C      -3.873603      8.523686      3.149639
  C      -6.896811     -6.064184      4.368901
  C      -6.003251     -5.007069      4.981862
  O      -4.834698     -5.256952      5.261836
  C      -6.582200     -3.652139      5.232860
  C      -7.889117     -3.313473      4.838220
  C      -8.382948     -2.034767      5.070581
  C      -7.565009     -1.097966      5.692370
  F      -8.097069      0.129035      5.913114
  C      -6.256213     -1.384653      6.111751
  C      -5.314943     -0.415598      6.763674
  O      -4.327187     -0.835150      7.365292
  C      -5.590208      1.082991      6.625864
  C      -5.795829     -2.687377      5.866923
  H      -3.337347     -6.584383      1.515316
  H      -4.933107     -6.041302      2.121195
  H      -4.359059     -5.479353      0.539799
  H      -5.891637     -3.895096      1.257433
  H      -7.046112     -1.697278      1.574541
  H      -1.482494     -0.673148      4.161377
  H      -2.401356     -1.019509      5.639267
  H      -2.565959     -2.465737      3.562252
  H      -5.369402     12.157881      1.680752
  H      -5.463867     11.093893      0.268349
  H      -4.102798     12.253124      0.415386
  H      -6.656359     10.210171      2.133416
  H      -7.726188      8.427220      3.509737
  H      -4.579186      6.043434      6.345664
  H      -4.889345      4.944402      5.020026
  H      -2.787352      8.537626      3.048083
  H      -7.784732     -6.236623      4.995653
  H      -6.331914     -6.997247      4.270385
  H      -7.257325     -5.745547      3.378571
  H      -8.527241     -4.043926      4.341474
  H      -9.393150     -1.747444      4.778564
  H      -6.428167      1.325534      7.309169
  H      -5.968041      1.279901      5.613313
  H      -4.782575     -2.944389      6.177758
  N      -3.034786      3.466462      3.826396
  N      -3.656028      4.023841      2.930473
  H      -3.005807      4.306629      2.155972
89
Coordinates from ORCA-job orca E -6561.632874538447
  N      -1.803446      1.004783      5.477289
  Mo     -3.111575      2.506526      5.580297
  N      -4.419751      1.902148      6.943098
  C      -4.088218      2.095590      8.350011
  C      -2.595222      1.868272      8.522946
  N      -1.863339      2.693306      7.514155
  C      -0.529774      2.127136      7.182949
  C      -0.724381      0.827213      6.422086
  C      -1.754082      4.102422      7.989014
  C      -2.000343      5.028514      6.811875
  N      -3.182770      4.525761      6.145948
  H       0.223279      0.553425      5.918199
  H      -0.952132     -0.006114      7.119511
  H      -0.018920      2.868063      6.551708
  H       0.072875      1.974302      8.095753
  H      -2.149412      6.064573      7.163877
  H      -1.120284      5.052371      6.141127
  H      -2.539055      4.268040      8.738345
  H      -0.776682      4.255923      8.473750
  H      -4.631756      1.387025      8.994946
  H      -4.368353      3.118366      8.674014
  H      -2.390295      0.809175      8.329406
  H      -2.239018      2.122044      9.536673
  C      -4.020155     -5.707337      1.537803
  C      -3.351416     -4.543603      2.235982
  O      -2.202144     -4.638229      2.656350
  C      -4.119327     -3.267614      2.388956
  C      -5.384163     -3.066514      1.809566
  C      -6.035636     -1.842569      1.977656
  C      -5.430162     -0.836467      2.712265
  F      -6.113809      0.321025      2.862115
  C      -4.155046     -0.985268      3.322158
  C      -3.522800      0.017428      4.136800
  O      -4.003132      1.208948      4.274420
  C      -2.233638     -0.237159      4.853935
  C      -3.537241     -2.242936      3.136367
  C      -4.796899     11.455586      0.853574
  C      -3.959456     10.445292      1.606973
  O      -2.734794     10.465928      1.542677
  C      -4.664503      9.430422      2.455342
  C      -6.063159      9.405172      2.594784
  C      -6.668610      8.445214      3.397728
  C      -5.874663      7.511930      4.057318
  F      -6.524793      6.607719      4.828516
  C      -4.473977      7.488181      3.947071
  C      -3.528315      6.499866      4.596148
  O      -2.331900      6.573093      4.349640
  C      -4.089360      5.478644      5.587863
  C      -3.903084      8.474118      3.132152
  C      -6.957754     -6.008111      4.280162
  C      -6.059514     -4.978952      4.932803
  O      -4.895666     -5.249485      5.213103
  C      -6.621897     -3.622231      5.208660
  C      -7.926689     -3.262036      4.823591
  C      -8.403490     -1.981978      5.079705
  C      -7.572397     -1.064414      5.712938
  F      -8.091871      0.164862      5.951466
  C      -6.265723     -1.371624      6.123052
  C      -5.305826     -0.425024      6.783924
  O      -4.318095     -0.865109      7.368793
  C      -5.568408      1.077604      6.669840
  C      -5.823578     -2.676898      5.855969
  H      -3.326494     -6.553931      1.505609
  H      -4.930228     -5.999783      2.081070
  H      -4.315642     -5.435034      0.513608
  H      -5.863919     -3.853826      1.228923
  H      -7.020272     -1.652455      1.549756
  H      -1.481478     -0.661685      4.155852
  H      -2.382287     -1.005976      5.644481
  H      -2.565945     -2.449855      3.584368
  H      -5.405340     12.053348      1.549216
  H      -5.492447     10.947162      0.168883
  H      -4.136877     12.117417      0.283485
  H      -6.687107     10.134027      2.077636
  H      -7.750622      8.402577      3.523518
  H      -4.577751      6.070681      6.394882
  H      -4.923649      4.956465      5.097165
  H      -2.817390      8.480590      3.022997
  H      -7.853339     -6.193618      4.892036
  H      -6.399960     -6.942831      4.158810
  H      -7.305308     -5.655995      3.296707
  H      -8.574776     -3.976302      4.316648
  H      -9.411148     -1.678276      4.795673
  H      -6.403468      1.316510      7.358347
  H      -5.948899      1.290972      5.661574
  H      -4.811897     -2.949413      6.159139
  N      -2.988178      3.478134      3.879762
  N      -3.585469      4.043650      2.972404
  H      -2.918198      4.318386      2.209150
89
Coordinates from ORCA-job orca E -6561.633123084011
  N      -1.802650      1.045958      5.481511
  Mo     -3.131219      2.524707      5.650392
  N      -4.401855      1.868836      7.025588
  C      -4.045085      2.034768      8.428560
  C      -2.545344      1.829231      8.563195
  N      -1.851160      2.690469      7.557678
  C      -0.515852      2.157288      7.183839
  C      -0.701843      0.868725      6.400344
  C      -1.758923      4.090691      8.062014
  C      -2.049404      5.041594      6.916541
  N      -3.238435      4.531697      6.261818
  H       0.241125      0.625265      5.872209
  H      -0.896541      0.016455      7.085178
  H      -0.033599      2.920024      6.556248
  H       0.110161      1.998706      8.079994
  H      -2.215026      6.063066      7.302716
  H      -1.183639      5.106497      6.230711
  H      -2.526770      4.221229      8.835409
  H      -0.772383      4.254182      8.524769
  H      -4.561716      1.301843      9.068665
  H      -4.335261      3.044822      8.782680
  H      -2.326197      0.778761      8.341071
  H      -2.170781      2.064956      9.574829
  C      -4.028950     -5.606485      1.443795
  C      -3.356905     -4.451911      2.153706
  O      -2.204425     -4.550766      2.564604
  C      -4.133444     -3.186858      2.347882
  C      -5.409927     -2.986718      1.794513
  C      -6.070334     -1.773680      2.000850
  C      -5.462318     -0.777780      2.746871
  F      -6.155097      0.368755      2.933887
  C      -4.175565     -0.925694      3.331734
  C      -3.539940      0.066125      4.158229
  O      -4.035293      1.246227      4.332311
  C      -2.235491     -0.189417      4.846850
  C      -3.549321     -2.173313      3.108752
  C      -4.766165     11.238064      0.655095
  C      -3.936869     10.278110      1.479723
  O      -2.712786     10.271615      1.401122
  C      -4.651351      9.318104      2.381631
  C      -6.050340      9.313930      2.522474
  C      -6.663711      8.406399      3.378329
  C      -5.878337      7.502693      4.087555
  F      -6.535957      6.650541      4.910401
  C      -4.478770      7.457691      3.976760
  C      -3.541690      6.495338      4.675464
  O      -2.340261      6.568323      4.451315
  C      -4.120655      5.493930      5.676242
  C      -3.898839      8.392290      3.109047
  C      -6.957411     -5.971236      4.186535
  C      -6.057260     -4.959322      4.862978
  O      -4.897130     -5.242249      5.146326
  C      -6.619134     -3.611219      5.179450
  C      -7.926440     -3.241483      4.812806
  C      -8.402785     -1.969730      5.107262
  C      -7.568186     -1.068876      5.759507
  F      -8.088636      0.152262      6.035144
  C      -6.257901     -1.385989      6.151578
  C      -5.290831     -0.455936      6.826196
  O      -4.295541     -0.909970      7.386477
  C      -5.554409      1.049213      6.753771
  C      -5.816907     -2.683273      5.847123
  H      -3.334703     -6.451911      1.397164
  H      -4.938308     -5.906967      1.983926
  H      -4.326974     -5.319371      0.424239
  H      -5.890512     -3.766044      1.203959
  H      -7.063698     -1.583325      1.593725
  H      -1.493285     -0.597212      4.128216
  H      -2.363292     -0.972465      5.627294
  H      -2.569621     -2.381143      3.537562
  H      -5.369212     11.889380      1.305702
  H      -5.466648     10.687114      0.009021
  H      -4.100863     11.851272      0.038746
  H      -6.668046     10.019154      1.966591
  H      -7.745773      8.382396      3.508877
  H      -4.597309      6.108987      6.472853
  H      -4.964582      4.979292      5.194435
  H      -2.813179      8.382270      3.000298
  H      -7.853421     -6.170536      4.793665
  H      -6.401097     -6.903548      4.042425
  H      -7.304707     -5.594781      3.212136
  H      -8.577264     -3.942626      4.291148
  H      -9.412773     -1.659543      4.839042
  H      -6.378049      1.270101      7.461681
  H      -5.952650      1.285500      5.757584
  H      -4.802517     -2.962306      6.134785
  N      -3.017639      3.533006      3.972228
  N      -3.624851      4.123526      3.086003
  H      -2.965155      4.419587      2.323284
89
Coordinates from ORCA-job orca E -6561.633426569133
  N      -1.776003      1.070287      5.470126
  Mo     -3.115237      2.537287      5.672587
  N      -4.373347      1.850930      7.050011
  C      -4.007112      1.999733      8.451375
  C      -2.505062      1.803201      8.569413
  N      -1.825323      2.687186      7.572578
  C      -0.490252      2.171922      7.179475
  C      -0.670368      0.890724      6.383731
  C      -1.742418      4.083181      8.093588
  C      -2.061556      5.048907      6.968030
  N      -3.254108      4.538617      6.320649
  H       0.271922      0.660251      5.848712
  H      -0.853790      0.029637      7.061600
  H      -0.022511      2.945109      6.553830
  H       0.144967      2.011362      8.068747
  H      -2.230625      6.062762      7.372806
  H      -1.204298      5.133752      6.274159
  H      -2.492888      4.192470      8.886584
  H      -0.747344      4.254793      8.535081
  H      -4.513668      1.254371      9.085405
  H      -4.300614      3.003083      8.821625
  H      -2.277729      0.759252      8.325451
  H      -2.121399      2.022987      9.581371
  C      -4.033887     -5.578810      1.449259
  C      -3.359487     -4.427333      2.161519
  O      -2.214813     -4.537475      2.590814
  C      -4.128652     -3.156497      2.346101
  C      -5.402413     -2.951303      1.788115
  C      -6.057028     -1.735052      1.990573
  C      -5.448082     -0.740935      2.737758
  F      -6.134393      0.409778      2.920569
  C      -4.163930     -0.893402      3.326902
  C      -3.523933      0.094487      4.155228
  O      -4.029541      1.267115      4.348283
  C      -2.214094     -0.160679      4.832099
  C      -3.543204     -2.145046      3.107851
  C      -4.783342     11.108648      0.564985
  C      -3.956784     10.196935      1.444567
  O      -2.731168     10.209574      1.392186
  C      -4.674069      9.255465      2.362904
  C      -6.075593      9.229415      2.475060
  C      -6.689484      8.341072      3.350468
  C      -5.902544      7.476247      4.105239
  F      -6.561673      6.644679      4.949829
  C      -4.501879      7.452168      4.022682
  C      -3.557901      6.529424      4.766539
  O      -2.350842      6.665690      4.609789
  C      -4.138944      5.499242      5.736313
  C      -3.920686      8.369069      3.136892
  C      -7.007050     -5.924750      4.115684
  C      -6.099336     -4.934467      4.812964
  O      -4.943932     -5.234232      5.098073
  C      -6.649793     -3.587200      5.153594
  C      -7.957600     -3.203121      4.804432
  C      -8.424775     -1.934156      5.122677
  C      -7.578535     -1.048028      5.780661
  F      -8.088748      0.171172      6.082716
  C      -6.266404     -1.379429      6.153578
  C      -5.286798     -0.461397      6.829226
  O      -4.288781     -0.929232      7.372375
  C      -5.538186      1.047408      6.777149
  C      -5.834704     -2.673961      5.826558
  H      -3.348184     -6.431815      1.419447
  H      -4.956251     -5.866307      1.974394
  H      -4.312569     -5.294473      0.423513
  H      -5.884196     -3.728294      1.195665
  H      -7.047446     -1.540436      1.578169
  H      -1.475094     -0.563096      4.107109
  H      -2.335213     -0.948494      5.609763
  H      -2.567296     -2.358659      3.542539
  H      -5.413357     11.772931      1.175694
  H      -5.458290     10.522883     -0.077532
  H      -4.113370     11.710549     -0.057527
  H      -6.695039      9.903553      1.883671
  H      -7.773080      8.302787      3.463675
  H      -4.632292      6.101202      6.533259
  H      -4.970017      4.979077      5.237510
  H      -2.832984      8.376214      3.053269
  H      -7.906772     -6.128182      4.715672
  H      -6.458055     -6.858769      3.955183
  H      -7.348195     -5.526189      3.148070
  H      -8.617389     -3.893230      4.279201
  H      -9.435694     -1.613155      4.871159
  H      -6.355365      1.266323      7.492934
  H      -5.943305      1.299636      5.787498
  H      -4.818832     -2.962495      6.098858
  N      -2.988891      3.546796      4.010844
  N      -3.566254      4.124042      3.096364
  H      -2.888638      4.411990      2.349294
89
Coordinates from ORCA-job orca E -6561.633704249547
  N      -1.781857      1.119537      5.480468
  Mo     -3.130208      2.568306      5.735493
  N      -4.360239      1.822852      7.112747
  C      -3.980545      1.941603      8.513608
  C      -2.474570      1.767777      8.605642
  N      -1.824856      2.686870      7.618190
  C      -0.487789      2.200959      7.194755
  C      -0.659784      0.935170      6.373703
  C      -1.749096      4.071642      8.172625
  C      -2.088554      5.063774      7.076256
  N      -3.283252      4.556688      6.430512
  H       0.276497      0.731385      5.817643
  H      -0.818429      0.055911      7.034802
  H      -0.042277      2.995008      6.579332
  H       0.159666      2.032858      8.073665
  H      -2.265236      6.062689      7.514344
  H      -1.237644      5.181349      6.379991
  H      -2.490696      4.153704      8.977068
  H      -0.749401      4.241121      8.604898
  H      -4.467921      1.172284      9.133753
  H      -4.284326      2.931472      8.911810
  H      -2.230228      0.735127      8.331530
  H      -2.076328      1.972205      9.614967
  C      -4.046318     -5.463706      1.360025
  C      -3.378014     -4.329516      2.104564
  O      -2.224142     -4.437667      2.509188
  C      -4.148431     -3.063095      2.311235
  C      -5.429543     -2.856010      1.770093
  C      -6.086663     -1.645604      1.998096
  C      -5.474767     -0.659416      2.752670
  F      -6.163180      0.486221      2.958279
  C      -4.183942     -0.814400      3.326608
  C      -3.537540      0.160106      4.164969
  O      -4.052270      1.323142      4.391817
  C      -2.218798     -0.100579      4.822362
  C      -3.559919     -2.060105      3.081145
  C      -4.766843     10.853880      0.377627
  C      -3.948224      9.955675      1.277886
  O      -2.723011      9.944094      1.211243
  C      -4.668472      9.102768      2.276222
  C      -6.067438      9.122075      2.418865
  C      -6.684714      8.313057      3.365864
  C      -5.902777      7.481054      4.161874
  F      -6.560993      6.727010      5.077968
  C      -4.506105      7.415854      4.053902
  C      -3.569622      6.524646      4.843875
  O      -2.361140      6.653899      4.692442
  C      -4.160259      5.520528      5.837277
  C      -3.919994      8.253960      3.096242
  C      -7.009608     -5.895412      4.038052
  C      -6.094262     -4.919459      4.745149
  O      -4.931343     -5.218564      4.998917
  C      -6.644065     -3.581863      5.125035
  C      -7.959542     -3.196642      4.810074
  C      -8.428415     -1.937918      5.164701
  C      -7.573995     -1.062386      5.826598
  F      -8.081848      0.146933      6.168026
  C      -6.253257     -1.396109      6.165693
  C      -5.267841     -0.484993      6.842533
  O      -4.257187     -0.958957      7.356387
  C      -5.527580      1.023729      6.834930
  C      -5.819019     -2.679186      5.801534
  H      -3.355464     -6.311488      1.307043
  H      -4.969854     -5.772374      1.871247
  H      -4.325096     -5.151215      0.342057
  H      -5.915325     -3.625289      1.170847
  H      -7.082478     -1.451262      1.598307
  H      -1.483014     -0.481177      4.082180
  H      -2.326159     -0.905724      5.584589
  H      -2.578609     -2.275732      3.503296
  H      -5.360676     11.566094      0.971059
  H      -5.475574     10.265673     -0.224923
  H      -4.091843     11.405269     -0.285254
  H      -6.683017      9.770464      1.795186
  H      -7.766120      8.312305      3.504671
  H      -4.640921      6.141998      6.625088
  H      -4.996485      4.999348      5.346414
  H      -2.834330      8.228236      2.993036
  H      -7.895864     -6.120477      4.650356
  H      -6.458644     -6.821062      3.839911
  H      -7.373252     -5.471449      3.089443
  H      -8.625733     -3.879289      4.282651
  H      -9.445712     -1.615881      4.941251
  H      -6.335038      1.219835      7.568253
  H      -5.949124      1.300395      5.858527
  H      -4.796209     -2.967794      6.046467
  N      -2.993798      3.615397      4.103818
  N      -3.537589      4.218381      3.185370
  H      -2.839752      4.506763      2.458182
89
Coordinates from ORCA-job orca E -6561.633920194102
  N      -1.782041      1.111879      5.492869
  Mo     -3.123487      2.566990      5.746336
  N      -4.361793      1.830779      7.121805
  C      -3.989429      1.954757      8.524543
  C      -2.485638      1.768134      8.625415
  N      -1.824729      2.676951      7.636615
  C      -0.490041      2.177757      7.218970
  C      -0.671242      0.913360      6.397897
  C      -1.738715      4.061196      8.190225
  C      -2.062497      5.053431      7.088984
  N      -3.257645      4.558980      6.435149
  H       0.268139      0.694746      5.852767
  H      -0.851013      0.038149      7.058159
  H      -0.035877      2.968016      6.604933
  H       0.153938      2.002972      8.099208
  H      -2.227031      6.056408      7.522323
  H      -1.206723      5.157612      6.396546
  H      -2.485381      4.152029      8.989442
  H      -0.740677      4.222654      8.629000
  H      -4.488088      1.194811      9.147020
  H      -4.284066      2.950383      8.915169
  H      -2.250109      0.731446      8.358703
  H      -2.090602      1.976169      9.634971
  C      -4.046625     -5.445715      1.337034
  C      -3.379395     -4.315339      2.088540
  O      -2.230641     -4.429533      2.505377
  C      -4.149496     -3.048906      2.298598
  C      -5.427813     -2.836740      1.753191
  C      -6.084869     -1.626675      1.985406
  C      -5.474215     -0.645101      2.747353
  F      -6.162549      0.500008      2.954805
  C      -4.186211     -0.805701      3.325200
  C      -3.540268      0.164701      4.170374
  O      -4.051526      1.326786      4.400562
  C      -2.223525     -0.104950      4.829979
  C      -3.562670     -2.050017      3.075721
  C      -4.815363     10.778873      0.325264
  C      -3.985184      9.882093      1.216684
  O      -2.765886      9.824136      1.091954
  C      -4.688300      9.065683      2.256901
  C      -6.081243      9.116113      2.443669
  C      -6.683036      8.341106      3.428035
  C      -5.892110      7.511213      4.217225
  F      -6.533859      6.789795      5.169569
  C      -4.499770      7.418283      4.068810
  C      -3.556764      6.533931      4.855261
  O      -2.349009      6.673225      4.704278
  C      -4.138661      5.523663      5.847528
  C      -3.929352      8.222895      3.073488
  C      -6.992682     -5.875974      4.018241
  C      -6.084243     -4.902714      4.738488
  O      -4.923176     -5.202387      4.999502
  C      -6.635840     -3.564492      5.113783
  C      -7.946914     -3.177036      4.784909
  C      -8.417070     -1.917693      5.137242
  C      -7.568547     -1.045348      5.810691
  F      -8.077454      0.164175      6.148890
  C      -6.251902     -1.381551      6.163451
  C      -5.273366     -0.474938      6.853196
  O      -4.264703     -0.950086      7.370212
  C      -5.528957      1.033763      6.842812
  C      -5.816499     -2.664530      5.800658
  H      -3.356476     -6.293975      1.281252
  H      -4.970876     -5.756725      1.845040
  H      -4.323206     -5.128026      0.320058
  H      -5.912833     -3.601850      1.147983
  H      -7.079029     -1.429690      1.582907
  H      -1.489168     -0.489363      4.090718
  H      -2.339863     -0.911774      5.588439
  H      -2.583359     -2.268262      3.501048
  H      -5.363840     11.523242      0.922858
  H      -5.564422     10.196020     -0.232129
  H      -4.153592     11.293326     -0.379377
  H      -6.704108      9.761819      1.824491
  H      -7.759286      8.365206      3.600835
  H      -4.627370      6.135296      6.638134
  H      -4.970137      5.001144      5.349933
  H      -2.847819      8.176241      2.938405
  H      -7.886517     -6.100546      4.619711
  H      -6.441647     -6.802384      3.824240
  H      -7.343536     -5.448589      3.066211
  H      -8.608351     -3.857520      4.248881
  H      -9.431167     -1.593188      4.903123
  H      -6.336915      1.233483      7.574813
  H      -5.947465      1.308638      5.864527
  H      -4.797246     -2.956439      6.056541
  N      -2.986269      3.620122      4.119753
  N      -3.511237      4.228860      3.193747
  H      -2.793661      4.517589      2.484771
89
Coordinates from ORCA-job orca E -6561.634035305998
  N      -1.785794      1.133352      5.499878
  Mo     -3.131229      2.581045      5.779537
  N      -4.358433      1.824684      7.153351
  C      -3.978404      1.937167      8.555288
  C      -2.473208      1.753896      8.644903
  N      -1.821660      2.674351      7.660952
  C      -0.487385      2.182592      7.230099
  C      -0.671140      0.925717      6.398122
  C      -1.736592      4.051578      8.230793
  C      -2.070411      5.055360      7.143239
  N      -3.269023      4.567065      6.490738
  H       0.266357      0.712135      5.847799
  H      -0.849319      0.044244      7.049959
  H      -0.040572      2.980140      6.620023
  H       0.163930      2.001514      8.103608
  H      -2.233259      6.052745      7.590310
  H      -1.219839      5.169797      6.445572
  H      -2.478756      4.130222      9.035614
  H      -0.736573      4.211523      8.665009
  H      -4.471360      1.170442      9.173761
  H      -4.272554      2.928538      8.956719
  H      -2.237280      0.720187      8.367429
  H      -2.072976      1.954567      9.653794
  C      -4.052681     -5.385504      1.284568
  C      -3.383708     -4.259738      2.041326
  O      -2.236107     -4.378148      2.459928
  C      -4.157708     -2.999023      2.271702
  C      -5.439339     -2.784489      1.735471
  C      -6.099740     -1.579529      1.985364
  C      -5.488321     -0.604855      2.755955
  F      -6.180093      0.534999      2.979498
  C      -4.197332     -0.768742      3.325255
  C      -3.550926      0.194505      4.180090
  O      -4.065926      1.349170      4.428238
  C      -2.227842     -0.078576      4.827283
  C      -3.570512     -2.007060      3.057653
  C      -4.820207     10.609075      0.218305
  C      -3.991435      9.724981      1.123955
  O      -2.778133      9.626517      0.969301
  C      -4.688487      8.972967      2.215296
  C      -6.076374      9.059071      2.424337
  C      -6.674213      8.342491      3.454322
  C      -5.884299      7.534760      4.266998
  F      -6.520147      6.870881      5.263582
  C      -4.495997      7.410514      4.100265
  C      -3.555781      6.551114      4.915126
  O      -2.347188      6.705184      4.783495
  C      -4.143066      5.538448      5.901871
  C      -3.929339      8.157059      3.058764
  C      -6.977696     -5.846227      3.965479
  C      -6.071291     -4.879230      4.696886
  O      -4.910721     -5.181106      4.957366
  C      -6.627070     -3.548967      5.093964
  C      -7.940683     -3.161983      4.775946
  C      -8.414045     -1.909486      5.149069
  C      -7.565747     -1.044125      5.831535
  F      -8.077208      0.157981      6.190502
  C      -6.245819     -1.380128      6.173226
  C      -5.267136     -0.479453      6.869513
  O      -4.256936     -0.957834      7.380627
  C      -5.525286      1.028702      6.875730
  C      -5.808042     -2.656473      5.791129
  H      -3.362540     -6.233216      1.220575
  H      -4.975130     -5.700698      1.793002
  H      -4.332670     -5.061163      0.270613
  H      -5.925498     -3.543892      1.123963
  H      -7.096715     -1.382011      1.590307
  H      -1.498671     -0.454546      4.078929
  H      -2.338787     -0.893650      5.577396
  H      -2.588007     -2.225421      3.475153
  H      -5.331668     11.391800      0.799340
  H      -5.599622     10.026330     -0.295788
  H      -4.163794     11.076171     -0.523401
  H      -6.698585      9.686512      1.786050
  H      -7.746421      8.395941      3.644716
  H      -4.629119      6.150929      6.693771
  H      -4.976534      5.022456      5.401968
  H      -2.851085      8.086698      2.908508
  H      -7.870303     -6.080172      4.565355
  H      -6.425061     -6.769000      3.759356
  H      -7.330142     -5.407879      3.019057
  H      -8.601496     -3.836853      4.232217
  H      -9.430292     -1.585665      4.923614
  H      -6.327583      1.220352      7.616258
  H      -5.951124      1.311013      5.902893
  H      -4.786797     -2.949512      6.037619
  N      -3.004632      3.648584      4.164673
  N      -3.524759      4.257963      3.236352
  H      -2.798739      4.555607      2.538928
89
Coordinates from ORCA-job orca E -6561.634103867597
  N      -1.785314      1.140924      5.512108
  Mo     -3.129616      2.590215      5.795219
  N      -4.359278      1.826507      7.161097
  C      -3.978782      1.932551      8.564159
  C      -2.473218      1.748657      8.653256
  N      -1.820096      2.673644      7.674324
  C      -0.484664      2.181671      7.244126
  C      -0.669915      0.927972      6.407967
  C      -1.734317      4.047809      8.251520
  C      -2.067479      5.057061      7.168959
  N      -3.267561      4.572754      6.516802
  H       0.266623      0.715253      5.855688
  H      -0.849111      0.043753      7.055770
  H      -0.036654      2.980536      6.636643
  H       0.165137      1.998298      8.118125
  H      -2.229004      6.052134      7.621997
  H      -1.218405      5.174251      6.469427
  H      -2.477765      4.122424      9.055427
  H      -0.734750      4.204281      8.687832
  H      -4.471401      1.162151      9.178224
  H      -4.273910      2.921574      8.970348
  H      -2.238169      0.716148      8.370975
  H      -2.074718      1.944748      9.663784
  C      -4.053240     -5.355401      1.258440
  C      -3.384107     -4.235490      2.023151
  O      -2.232806     -4.353294      2.431848
  C      -4.156297     -2.975015      2.259941
  C      -5.437730     -2.756400      1.724995
  C      -6.096818     -1.551659      1.980105
  C      -5.484140     -0.581350      2.755343
  F      -6.174728      0.558306      2.983880
  C      -4.193742     -0.749926      3.324169
  C      -3.547985      0.208558      4.185375
  O      -4.061988      1.361450      4.438487
  C      -2.224516     -0.067857      4.832024
  C      -3.567844     -1.987249      3.050090
  C      -4.844187     10.512917      0.164910
  C      -4.009689      9.634852      1.071401
  O      -2.803698      9.504394      0.885553
  C      -4.694206      8.920583      2.195284
  C      -6.077109      9.028338      2.425230
  C      -6.666407      8.346427      3.483627
  C      -5.871734      7.551296      4.303684
  F      -6.495808      6.918547      5.327466
  C      -4.487984      7.407897      4.117556
  C      -3.547109      6.561498      4.944226
  O      -2.339025      6.726568      4.822905
  C      -4.137695      5.549577      5.930670
  C      -3.929326      8.119350      3.048060
  C      -6.979037     -5.829460      3.939305
  C      -6.073427     -4.866948      4.677402
  O      -4.910946     -5.167621      4.930826
  C      -6.629580     -3.539323      5.083013
  C      -7.944506     -3.152537      4.771670
  C      -8.419022     -1.902859      5.153678
  C      -7.569336     -1.040136      5.837460
  F      -8.080866      0.158416      6.207179
  C      -6.247148     -1.375783      6.171624
  C      -5.267343     -0.476787      6.869248
  O      -4.256845     -0.956799      7.378206
  C      -5.525914      1.031709      6.881470
  C      -5.808710     -2.649427      5.782017
  H      -3.362262     -6.201688      1.185238
  H      -4.974180     -5.676290      1.766350
  H      -4.336833     -5.023545      0.247840
  H      -5.925829     -3.512603      1.110970
  H      -7.093686     -1.351954      1.585941
  H      -1.494742     -0.438750      4.081808
  H      -2.335845     -0.887484      5.577182
  H      -2.584785     -2.206702      3.465555
  H      -5.326994     11.318145      0.739486
  H      -5.646623      9.932906     -0.315675
  H      -4.198059     10.949952     -0.603702
  H      -6.702436      9.645988      1.780431
  H      -7.734636      8.417839      3.689767
  H      -4.613081      6.167057      6.725405
  H      -4.977823      5.040521      5.435282
  H      -2.854389      8.034906      2.882193
  H      -7.868802     -6.070972      4.540469
  H      -6.424938     -6.748904      3.722571
  H      -7.336187     -5.383698      2.998131
  H      -8.606102     -3.825412      4.226368
  H      -9.436887     -1.580486      4.933583
  H      -6.326784      1.220125      7.624363
  H      -5.952707      1.317173      5.909996
  H      -4.786475     -2.943843      6.022587
  N      -3.001425      3.661812      4.187132
  N      -3.514628      4.264869      3.251062
  H      -2.781727      4.563642      2.561213
89
Coordinates from ORCA-job orca E -6561.634140368368
  N      -1.783947      1.137515      5.523154
  Mo     -3.123480      2.593332      5.800433
  N      -4.361826      1.834689      7.160053
  C      -3.983194      1.938851      8.564291
  C      -2.478441      1.748713      8.657683
  N      -1.817133      2.671154      7.681665
  C      -0.481899      2.172555      7.257319
  C      -0.670458      0.920024      6.420159
  C      -1.727417      4.045533      8.258643
  C      -2.054998      5.055100      7.174904
  N      -3.256718      4.574491      6.523596
  H       0.265849      0.704164      5.868736
  H      -0.854033      0.035797      7.066984
  H      -0.027327      2.969082      6.651659
  H       0.162811      1.986874      8.134428
  H      -2.213084      6.051547      7.626189
  H      -1.205851      5.167025      6.474544
  H      -2.473336      4.123419      9.059805
  H      -0.728639      4.197617      8.698414
  H      -4.479611      1.169227      9.176416
  H      -4.277049      2.928218      8.970362
  H      -2.247598      0.715292      8.375490
  H      -2.083590      1.941990      9.670274
  C      -4.053235     -5.347042      1.252454
  C      -3.380476     -4.226153      2.012287
  O      -2.228675     -4.345219      2.419457
  C      -4.152231     -2.966503      2.253936
  C      -5.434097     -2.746102      1.720719
  C      -6.092808     -1.541852      1.979061
  C      -5.479302     -0.573803      2.756602
  F      -6.169587      0.565124      2.989557
  C      -4.188340     -0.744268      3.323812
  C      -3.542740      0.211685      4.187437
  O      -4.053483      1.366381      4.440022
  C      -2.221489     -0.068277      4.837527
  C      -3.562907     -1.981200      3.046251
  C      -4.872720     10.468145      0.145169
  C      -4.033956      9.583792      1.041691
  O      -2.831452      9.443314      0.841081
  C      -4.706457      8.891749      2.186589
  C      -6.085231      9.012509      2.433787
  C      -6.665411      8.350295      3.509964
  C      -5.864810      7.561605      4.330132
  F      -6.478254      6.945759      5.370708
  C      -4.484805      7.406964      4.127516
  C      -3.540025      6.566768      4.956473
  O      -2.333088      6.734986      4.832488
  C      -4.127926      5.554864      5.945265
  C      -3.934934      8.098659      3.041159
  C      -6.980802     -5.819104      3.930880
  C      -6.075402     -4.857208      4.669731
  O      -4.916431     -5.162682      4.933636
  C      -6.630446     -3.528317      5.072426
  C      -7.943112     -3.138835      4.754800
  C      -8.417269     -1.888362      5.134857
  C      -7.569249     -1.027653      5.823054
  F      -8.079747      0.172043      6.190837
  C      -6.249309     -1.365801      6.163359
  C      -5.270838     -0.468188      6.865842
  O      -4.261227     -0.949442      7.374944
  C      -5.529031      1.040829      6.878739
  C      -5.811113     -2.640006      5.775430
  H      -3.363143     -6.193893      1.177647
  H      -4.972068     -5.666262      1.765521
  H      -4.341407     -5.017382      0.242498
  H      -5.923148     -3.500797      1.105565
  H      -7.089834     -1.340956      1.585932
  H      -1.489751     -0.436899      4.088052
  H      -2.335493     -0.890047      5.580034
  H      -2.579081     -2.200928      3.459770
  H      -5.339660     11.279104      0.724802
  H      -5.687549      9.893993     -0.321301
  H      -4.234027     10.896614     -0.634342
  H      -6.714579      9.625053      1.788062
  H      -7.730291      8.432375      3.728892
  H      -4.590903      6.174693      6.745521
  H      -4.976083      5.051020      5.458058
  H      -2.862906      8.005393      2.861630
  H      -7.873527     -6.056374      4.529382
  H      -6.428411     -6.740738      3.719073
  H      -7.333400     -5.375612      2.986960
  H      -8.603459     -3.810235      4.206136
  H      -9.433612     -1.564895      4.909477
  H      -6.330276      1.228680      7.621219
  H      -5.954732      1.327473      5.907050
  H      -4.790770     -2.937228      6.020526
  N      -2.989991      3.665843      4.195697
  N      -3.494831      4.265712      3.253194
  H      -2.757516      4.561910      2.566909
89
Coordinates from ORCA-job orca E -6561.634159357202
  N      -1.785700      1.142348      5.528030
  Mo     -3.125209      2.597434      5.811129
  N      -4.361868      1.835981      7.170843
  C      -3.979592      1.935974      8.574192
  C      -2.474654      1.745397      8.663878
  N      -1.814538      2.670675      7.689767
  C      -0.480198      2.173577      7.262160
  C      -0.669660      0.923527      6.421300
  C      -1.724281      4.043784      8.269960
  C      -2.056130      5.055764      7.190167
  N      -3.260218      4.575836      6.542074
  H       0.265462      0.710750      5.866703
  H      -0.850105      0.037080      7.066181
  H      -0.026003      2.971890      6.658590
  H       0.165211      1.985316      8.138147
  H      -2.214187      6.051090      7.643744
  H      -1.209552      5.169759      6.487238
  H      -2.468143      4.119399      9.073236
  H      -0.724533      4.195106      8.707798
  H      -4.473903      1.164078      9.185353
  H      -4.273510      2.923777      8.984037
  H      -2.244804      0.712817      8.377802
  H      -2.078067      1.934537      9.676590
  C      -4.052919     -5.324927      1.229805
  C      -3.380700     -4.207513      1.995384
  O      -2.227220     -4.326093      2.397888
  C      -4.153655     -2.950032      2.244435
  C      -5.436440     -2.728516      1.713961
  C      -6.096430     -1.526633      1.978962
  C      -5.483196     -0.561709      2.760619
  F      -6.174455      0.575000      3.000937
  C      -4.190651     -0.732900      3.324400
  C      -3.544970      0.220379      4.190554
  O      -4.056741      1.373987      4.448547
  C      -2.222677     -0.060293      4.837576
  C      -3.564125     -1.967881      3.040438
  C      -4.872013     10.404543      0.110626
  C      -4.035014      9.530094      1.018413
  O      -2.834681      9.376932      0.814548
  C      -4.707468      8.859652      2.176274
  C      -6.084570      8.992020      2.426936
  C      -6.664275      8.349119      3.515111
  C      -5.865140      7.567169      4.343023
  F      -6.478350      6.971112      5.395539
  C      -4.486882      7.401790      4.137319
  C      -3.542678      6.567437      4.973667
  O      -2.335944      6.736282      4.850366
  C      -4.130209      5.558996      5.966315
  C      -3.937173      8.075098      3.039625
  C      -6.978008     -5.805469      3.912810
  C      -6.073277     -4.847582      4.657477
  O      -4.912500     -5.151700      4.914991
  C      -6.629489     -3.521871      5.068374
  C      -7.944106     -3.133228      4.756782
  C      -8.418873     -1.885362      5.144024
  C      -7.570123     -1.026093      5.833103
  F      -8.081875      0.171357      6.207263
  C      -6.248635     -1.363267      6.167596
  C      -5.267954     -0.466779      6.869066
  O      -4.256798     -0.948920      7.373869
  C      -5.529178      1.041711      6.889317
  C      -5.809835     -2.635155      5.772554
  H      -3.361885     -6.170415      1.149011
  H      -4.970278     -5.647837      1.743064
  H      -4.342884     -4.989740      0.222276
  H      -5.924867     -3.480857      1.095502
  H      -7.094100     -1.324666      1.588090
  H      -1.491516     -0.424032      4.085088
  H      -2.333793     -0.885567      5.576689
  H      -2.579501     -2.188602      3.451498
  H      -5.334951     11.225379      0.679405
  H      -5.689652      9.825937     -0.345385
  H      -4.233487     10.818810     -0.676549
  H      -6.712745      9.598694      1.774680
  H      -7.727640      8.441304      3.737166
  H      -4.583982      6.182304      6.769112
  H      -4.984661      5.058916      5.486425
  H      -2.866489      7.972945      2.857029
  H      -7.868427     -6.050938      4.511332
  H      -6.423171     -6.723506      3.691884
  H      -7.334473     -5.355075      2.973671
  H      -8.605245     -3.803107      4.207302
  H      -9.436562     -1.562964      4.923348
  H      -6.329229      1.224681      7.634242
  H      -5.957707      1.332433      5.920101
  H      -4.787969     -2.931274      6.012581
  N      -2.994624      3.675318      4.210653
  N      -3.498246      4.277944      3.269065
  H      -2.762342      4.574546      2.582147
89
Coordinates from ORCA-job orca E -6561.634169580774
  N      -1.788806      1.139262      5.533864
  Mo     -3.125684      2.597070      5.814436
  N      -4.364956      1.840523      7.174540
  C      -3.982167      1.941331      8.577658
  C      -2.477932      1.746539      8.668004
  N      -1.814596      2.669189      7.693721
  C      -0.481465      2.168881      7.267728
  C      -0.673015      0.919094      6.426960
  C      -1.721112      4.042583      8.272559
  C      -2.050887      5.054125      7.191779
  N      -3.256899      4.575662      6.545194
  H       0.261613      0.704999      5.872031
  H      -0.854153      0.033089      7.072267
  H      -0.024093      2.965881      6.664852
  H       0.162122      1.979058      8.144770
  H      -2.206806      6.050355      7.643720
  H      -1.204282      5.165264      6.488542
  H      -2.465371      4.120963      9.075296
  H      -0.721330      4.191625      8.711087
  H      -4.478248      1.171497      9.190079
  H      -4.273680      2.930340      8.986211
  H      -2.251230      0.713101      8.382481
  H      -2.081266      1.934696      9.680868
  C      -4.054093     -5.317760      1.219500
  C      -3.381256     -4.201349      1.986143
  O      -2.227149     -4.320058      2.386806
  C      -4.154766     -2.944894      2.238864
  C      -5.437748     -2.722492      1.709227
  C      -6.098218     -1.521754      1.977752
  C      -5.485300     -0.558837      2.761977
  F      -6.177103      0.576645      3.006443
  C      -4.192368     -0.730837      3.324955
  C      -3.546580      0.220674      4.192703
  O      -4.058101      1.374261      4.452699
  C      -2.224769     -0.061203      4.839590
  C      -3.565346     -1.964762      3.037480
  C      -4.877987     10.381806      0.098159
  C      -4.038983      9.512721      1.009162
  O      -2.839986      9.354653      0.801370
  C      -4.708557      8.850748      2.173612
  C      -6.084386      8.987387      2.429353
  C      -6.661090      8.350545      3.522657
  C      -5.860304      7.570269      4.350548
  F      -6.470197      6.979102      5.407972
  C      -4.483532      7.401118      4.139932
  C      -3.538702      6.566397      4.975261
  O      -2.331997      6.734319      4.850616
  C      -4.125699      5.561516      5.971931
  C      -3.936444      8.068441      3.037394
  C      -6.969008     -5.799139      3.906199
  C      -6.067021     -4.841921      4.655073
  O      -4.905861     -5.144470      4.912601
  C      -6.625678     -3.517788      5.067501
  C      -7.940628     -3.130610      4.755026
  C      -8.417371     -1.883938      5.143379
  C      -7.570653     -1.024175      5.834322
  F      -8.085227      0.171919      6.209491
  C      -6.249137     -1.359794      6.169896
  C      -5.269881     -0.463135      6.873162
  O      -4.259059     -0.944869      7.378931
  C      -5.531783      1.045117      6.892754
  C      -5.808329     -2.630704      5.773642
  H      -3.362334     -6.162302      1.135168
  H      -4.969611     -5.642554      1.734736
  H      -4.346794     -4.980533      0.213484
  H      -5.925471     -3.473243      1.088338
  H      -7.096022     -1.318822      1.587736
  H      -1.492843     -0.421772      4.086213
  H      -2.335241     -0.888993      5.575880
  H      -2.580664     -2.186523      3.447866
  H      -5.340940     11.205166      0.663190
  H      -5.695576      9.799234     -0.353009
  H      -4.241269     10.791998     -0.692561
  H      -6.713858      9.592290      1.776717
  H      -7.723359      8.446179      3.748431
  H      -4.572279      6.187997      6.776320
  H      -4.985058      5.064641      5.497518
  H      -2.866896      7.962615      2.850493
  H      -7.859462     -6.048939      4.502856
  H      -6.411726     -6.715114      3.682841
  H      -7.325546     -5.346372      2.968274
  H      -8.600418     -3.800629      4.204145
  H      -9.435391     -1.562959      4.922171
  H      -6.332551      1.227687      7.636946
  H      -5.959790      1.335549      5.923262
  H      -4.786185     -2.925292      6.014398
  N      -2.999524      3.675554      4.213814
  N      -3.506751      4.278596      3.274170
  H      -2.773737      4.575540      2.584715
89
Coordinates from ORCA-job orca E -6561.634176836737
  N      -1.791996      1.136997      5.543564
  Mo     -3.124284      2.598818      5.823452
  N      -4.368267      1.848169      7.183362
  C      -3.985557      1.949227      8.586510
  C      -2.482590      1.746655      8.678345
  N      -1.813330      2.665657      7.704793
  C      -0.482508      2.159468      7.280384
  C      -0.678381      0.911499      6.437999
  C      -1.713844      4.038914      8.282864
  C      -2.039640      5.051037      7.201277
  N      -3.248772      4.577538      6.555977
  H       0.256012      0.694029      5.883939
  H      -0.863700      0.025833      7.082502
  H      -0.019777      2.954886      6.679516
  H       0.158588      1.965143      8.158385
  H      -2.190078      6.048798      7.651310
  H      -1.192698      5.156712      6.497623
  H      -2.457790      4.121197      9.085617
  H      -0.713510      4.183813      8.721525
  H      -4.485832      1.183136      9.200300
  H      -4.271915      2.940410      8.993342
  H      -2.261388      0.712023      8.392623
  H      -2.085630      1.932277      9.691577
  C      -4.056146     -5.297232      1.197062
  C      -3.383466     -4.184022      1.968714
  O      -2.228453     -4.303198      2.366570
  C      -4.157859     -2.929340      2.227942
  C      -5.441406     -2.705246      1.700270
  C      -6.102758     -1.506625      1.975997
  C      -5.490136     -0.547424      2.764864
  F      -6.182961      0.585745      3.016897
  C      -4.196376     -0.721062      3.325727
  C      -3.549500      0.226499      4.196685
  O      -4.060423      1.379410      4.461979
  C      -2.227812     -0.058830      4.841733
  C      -3.568590     -1.952944      3.031283
  C      -4.894790     10.315984      0.064670
  C      -4.051785      9.459545      0.983834
  O      -2.856107      9.289115      0.766890
  C      -4.714521      8.821378      2.165463
  C      -6.087176      8.969942      2.431826
  C      -6.657239      8.353265      3.540015
  C      -5.853266      7.580455      4.371836
  F      -6.455942      7.008162      5.443904
  C      -4.479720      7.400497      4.151316
  C      -3.532890      6.571666      4.989904
  O      -2.326340      6.738475      4.861532
  C      -4.117179      5.567702      5.989180
  C      -3.938678      8.048116      3.034115
  C      -6.956912     -5.785597      3.891303
  C      -6.057945     -4.829937      4.645920
  O      -4.897946     -5.133249      4.907587
  C      -6.618962     -3.507591      5.060887
  C      -7.933601     -3.120811      4.746150
  C      -8.412315     -1.875658      5.136721
  C      -7.568264     -1.016865      5.832204
  F      -8.085300      0.177768      6.208980
  C      -6.247455     -1.352051      6.170336
  C      -5.270657     -0.456420      6.878162
  O      -4.260812     -0.938347      7.385484
  C      -5.533907      1.051327      6.899903
  C      -5.804511     -2.621490      5.771414
  H      -3.362553     -6.139503      1.105188
  H      -4.968863     -5.627314      1.713807
  H      -4.353074     -4.954240      0.194243
  H      -5.928325     -3.452923      1.075053
  H      -7.101090     -1.302133      1.588074
  H      -1.495599     -0.414247      4.086065
  H      -2.337674     -0.891568      5.572329
  H      -2.583622     -2.176534      3.440011
  H      -5.353233     11.148902      0.619167
  H      -5.715742      9.726791     -0.371774
  H      -4.262549     10.712023     -0.736800
  H      -6.719291      9.568283      1.775642
  H      -7.716744      8.459009      3.774222
  H      -4.555841      6.195194      6.797160
  H      -4.981805      5.074752      5.520145
  H      -2.871479      7.933455      2.839255
  H      -7.849047     -6.038675      4.484122
  H      -6.397803     -6.700218      3.666856
  H      -7.310825     -5.329991      2.953776
  H      -8.591543     -3.789949      4.191983
  H      -9.430127     -1.555010      4.913970
  H      -6.335681      1.231737      7.643561
  H      -5.961517      1.342812      5.930540
  H      -4.782486     -2.915128      6.014026
  N      -3.003279      3.678359      4.224206
  N      -3.510163      4.282291      3.284868
  H      -2.776887      4.577755      2.595098
89
Coordinates from ORCA-job orca E -6561.634181238492
  N      -1.794968      1.138645      5.548648
  Mo     -3.126259      2.600601      5.830811
  N      -4.370348      1.849790      7.191270
  C      -3.986605      1.950049      8.594137
  C      -2.483843      1.745358      8.684685
  N      -1.814305      2.664694      7.711699
  C      -0.484110      2.157802      7.286210
  C      -0.681037      0.911135      6.442119
  C      -1.713213      4.037181      8.291055
  C      -2.039165      5.050457      7.210487
  N      -3.249801      4.578894      6.566381
  H       0.252850      0.694090      5.887011
  H      -0.866322      0.024523      7.085251
  H      -0.020600      2.953582      6.686422
  H       0.157004      1.961499      8.163804
  H      -2.187902      6.048067      7.661545
  H      -1.192671      5.155853      6.506134
  H      -2.456102      4.119292      9.094801
  H      -0.712237      4.180940      8.728600
  H      -4.487662      1.184797      9.208299
  H      -4.270883      2.941724      9.001224
  H      -2.264080      0.710898      8.397172
  H      -2.085542      1.929320      9.697707
  C      -4.056246     -5.281339      1.179904
  C      -3.383670     -4.169674      1.953937
  O      -2.228896     -4.289878      2.352152
  C      -4.159568     -2.917152      2.219129
  C      -5.444009     -2.692627      1.693699
  C      -6.106454     -1.495881      1.975133
  C      -5.494255     -0.539142      2.767245
  F      -6.188166      0.592267      3.024407
  C      -4.199785     -0.713403      3.326183
  C      -3.552496      0.231475      4.199682
  O      -4.064098      1.382997      4.469308
  C      -2.229564     -0.054641      4.841867
  C      -3.570801     -1.943313      3.025945
  C      -4.900029     10.271838      0.041245
  C      -4.055957      9.420572      0.964219
  O      -2.862577      9.241266      0.741688
  C      -4.714632      8.799941      2.157373
  C      -6.084574      8.959825      2.430965
  C      -6.651351      8.358614      3.549270
  C      -5.846852      7.589235      4.383735
  F      -6.445282      7.032138      5.466150
  C      -4.476072      7.398244      4.156183
  C      -3.530056      6.571339      4.996992
  O      -2.323369      6.738942      4.870588
  C      -4.115677      5.571704      6.000070
  C      -3.937787      8.031191      3.029235
  C      -6.949449     -5.777284      3.879290
  C      -6.052178     -4.823197      4.637950
  O      -4.891604     -5.125503      4.898165
  C      -6.615263     -3.503266      5.057941
  C      -7.931018     -3.117994      4.746230
  C      -8.411738     -1.875099      5.141545
  C      -7.568382     -1.016872      5.838654
  F      -8.087054      0.175510      6.219957
  C      -6.246457     -1.350641      6.173784
  C      -5.270595     -0.455267      6.883143
  O      -4.259788     -0.936936      7.388796
  C      -5.535179      1.052114      6.907737
  C      -5.801522     -2.617896      5.770244
  H      -3.361707     -6.122445      1.084466
  H      -4.967950     -5.614201      1.696713
  H      -4.355040     -4.935483      0.178615
  H      -5.930539     -3.438244      1.065714
  H      -7.105491     -1.291006      1.589179
  H      -1.497557     -0.405265      4.083720
  H      -2.337021     -0.891144      5.568416
  H      -2.584953     -2.167230      3.432368
  H      -5.352965     11.111803      0.589527
  H      -5.725072      9.681274     -0.385582
  H      -4.270224     10.657590     -0.767172
  H      -6.717192      9.555195      1.772537
  H      -7.708553      8.473922      3.789366
  H      -4.548809      6.203033      6.808053
  H      -4.983593      5.081294      5.534628
  H      -2.872515      7.908068      2.829048
  H      -7.840661     -6.035256      4.471421
  H      -6.388398     -6.689556      3.650171
  H      -7.304886     -5.317876      2.944188
  H      -8.588369     -3.786662      4.190755
  H      -9.430450     -1.555529      4.921321
  H      -6.336329      1.230352      7.652663
  H      -5.964260      1.344772      5.939379
  H      -4.778530     -2.910084      6.010587
  N      -3.008032      3.681439      4.233038
  N      -3.514321      4.286021      3.293837
  H      -2.780166      4.581106      2.604676
89
Coordinates from ORCA-job orca E -6561.634184247401
  N      -1.797140      1.139943      5.551202
  Mo     -3.127967      2.601808      5.834460
  N      -4.372208      1.850966      7.195126
  C      -3.988062      1.950831      8.597908
  C      -2.485336      1.744859      8.687926
  N      -1.815664      2.664483      7.715336
  C      -0.485686      2.156913      7.289415
  C      -0.683361      0.910926      6.444503
  C      -1.713759      4.036541      8.295252
  C      -2.039794      5.050224      7.215000
  N      -3.251071      4.580001      6.571496
  H       0.250340      0.693777      5.889152
  H      -0.869429      0.023779      7.086613
  H      -0.021720      2.952710      6.690010
  H       0.155588      1.959513      8.166628
  H      -2.187384      6.047860      7.666583
  H      -1.193579      5.155189      6.510122
  H      -2.455797      4.118608      9.099710
  H      -0.712306      4.179976      8.731796
  H      -4.490016      1.186304      9.212177
  H      -4.270930      2.942909      9.004941
  H      -2.266429      0.710535      8.399349
  H      -2.086377      1.927963      9.700857
  C      -4.056638     -5.272115      1.168936
  C      -3.384541     -4.161965      1.945496
  O      -2.229321     -4.282142      2.342372
  C      -4.161320     -2.910840      2.214516
  C      -5.446554     -2.686233      1.691002
  C      -6.109522     -1.490540      1.975800
  C      -5.497169     -0.535003      2.769251
  F      -6.191687      0.595450      3.029246
  C      -4.202097     -0.709487      3.326436
  C      -3.554565      0.234013      4.201285
  O      -4.066445      1.384685      4.473062
  C      -2.230600     -0.052120      4.841588
  C      -3.572515     -1.938261      3.022787
  C      -4.901501     10.248636      0.028941
  C      -4.056620      9.401195      0.954758
  O      -2.864274      9.218033      0.729818
  C      -4.713136      8.789749      2.153739
  C      -6.081688      8.955436      2.430523
  C      -6.647130      8.362357      3.553858
  C      -5.842604      7.594937      4.390050
  F      -6.439128      7.045473      5.477321
  C      -4.473116      7.398311      4.159381
  C      -3.528032      6.572551      5.001722
  O      -2.321170      6.738254      4.874517
  C      -4.115248      5.574553      6.005721
  C      -3.935989      8.023584      3.027610
  C      -6.943549     -5.773760      3.873629
  C      -6.047411     -4.819959      4.633971
  O      -4.886499     -5.121350      4.893687
  C      -6.612150     -3.501625      5.056836
  C      -7.928855     -3.117937      4.747482
  C      -8.411305     -1.876629      5.145769
  C      -7.568407     -1.018251      5.843284
  F      -8.088225      0.172549      6.227543
  C      -6.245434     -1.350547      6.175995
  C      -5.270406     -0.454678      6.885825
  O      -4.259098     -0.935757      7.391103
  C      -5.536335      1.052503      6.911901
  C      -5.798889     -2.616353      5.769876
  H      -3.361047     -6.111917      1.069867
  H      -4.967231     -5.607995      1.685793
  H      -4.357484     -4.923542      0.169220
  H      -5.933351     -3.430845      1.062057
  H      -7.109184     -1.285706      1.591483
  H      -1.498868     -0.399784      4.081852
  H      -2.336309     -0.890753      5.565861
  H      -2.585832     -2.162027      3.427230
  H      -5.351734     11.092898      0.572752
  H      -5.728581      9.656847     -0.392191
  H      -4.273113     10.628223     -0.783493
  H      -6.714390      9.548982      1.770585
  H      -7.703215      8.482363      3.796479
  H      -4.545699      6.207547      6.813810
  H      -4.984629      5.085923      5.541227
  H      -2.871709      7.895934      2.824974
  H      -7.834070     -6.034195      4.465695
  H      -6.381337     -6.684727      3.642271
  H      -7.300008     -5.312793      2.939696
  H      -8.585673     -3.786734      4.191547
  H      -9.430765     -1.558163      4.927488
  H      -6.336775      1.229353      7.657957
  H      -5.966832      1.345438      5.944262
  H      -4.775178     -2.907317      6.008534
  N      -3.011429      3.681896      4.236221
  N      -3.518202      4.285274      3.296473
  H      -2.783930      4.579762      2.606994
89
Coordinates from ORCA-job orca E -6561.634185998907
  N      -1.800475      1.141295      5.554143
  Mo     -3.130327      2.603336      5.839119
  N      -4.374920      1.852626      7.200165
  C      -3.990442      1.952237      8.602887
  C      -2.487824      1.744387      8.692541
  N      -1.817608      2.663874      7.720111
  C      -0.488188      2.154898      7.293628
  C      -0.687346      0.909831      6.447767
  C      -1.714109      4.035700      8.300231
  C      -2.040152      5.049765      7.220354
  N      -3.252447      4.581546      6.577627
  H       0.246256      0.691947      5.892557
  H      -0.875188      0.022218      7.088710
  H      -0.023429      2.950487      6.694560
  H       0.153184      1.956067      8.170425
  H      -2.185913      6.047564      7.672370
  H      -1.194280      5.153707      6.514846
  H      -2.454820      4.118173      9.105810
  H      -0.711872      4.178594      8.735216
  H      -4.493732      1.188798      9.217384
  H      -4.271549      2.944941      9.009627
  H      -2.270223      0.710050      8.403108
  H      -2.088166      1.926631      9.705367
  C      -4.057170     -5.260178      1.154947
  C      -3.386051     -4.151945      1.935006
  O      -2.230137     -4.271784      2.329973
  C      -4.164149     -2.902717      2.208833
  C      -5.450602     -2.678422      1.688047
  C      -6.114606     -1.484318      1.977197
  C      -5.502143     -0.530030      2.772114
  F      -6.197847      0.598802      3.036103
  C      -4.205989     -0.704316      3.326649
  C      -3.558121      0.237543      4.202977
  O      -4.070186      1.387360      4.477591
  C      -2.233113     -0.049044      4.841133
  C      -3.575382     -1.931521      3.018701
  C      -4.903226     10.220155      0.013167
  C      -4.057858      9.376961      0.942490
  O      -2.867236      9.187232      0.713867
  C      -4.711623      8.777710      2.149017
  C      -6.078039      8.952234      2.430653
  C      -6.641614      8.370036      3.560664
  C      -5.837298      7.604179      4.398473
  F      -6.431416      7.065245      5.492241
  C      -4.469770      7.399115      4.163150
  C      -3.525692      6.573919      5.006787
  O      -2.318681      6.736787      4.877953
  C      -4.114556      5.578208      6.012400
  C      -3.934374      8.014011      3.024930
  C      -6.935018     -5.770687      3.867485
  C      -6.040481     -4.817374      4.630284
  O      -4.879317     -5.117803      4.889998
  C      -6.607094     -3.500626      5.055721
  C      -7.924756     -3.118778      4.748412
  C      -8.409321     -1.879165      5.149473
  C      -7.567207     -1.020475      5.847587
  F      -8.088360      0.168700      6.234704
  C      -6.243213     -1.351002      6.178151
  C      -5.269493     -0.454201      6.888732
  O      -4.257155     -0.934173      7.392951
  C      -5.537939      1.052657      6.917021
  C      -5.794571     -2.615189      5.769517
  H      -3.360038     -6.098120      1.051120
  H      -4.966283     -5.600237      1.671744
  H      -4.360682     -4.908043      0.157281
  H      -5.937683     -3.421971      1.058070
  H      -7.115214     -1.279875      1.595137
  H      -1.501864     -0.393590      4.079516
  H      -2.337103     -0.890033      5.562870
  H      -2.587585     -2.154882      3.420691
  H      -5.347904     11.071159      0.550993
  H      -5.734458      9.628155     -0.399461
  H      -4.276739     10.590075     -0.805179
  H      -6.710661      9.544198      1.769240
  H      -7.695958      8.497142      3.807188
  H      -4.541739      6.213122      6.820654
  H      -4.985870      5.091783      5.549110
  H      -2.871634      7.879566      2.818602
  H      -7.825231     -6.033738      4.458856
  H      -6.371473     -6.680277      3.633999
  H      -7.291958     -5.307944      2.934611
  H      -8.580751     -3.787914      4.191892
  H      -9.429575     -1.562039      4.932964
  H      -6.337701      1.227061      7.664392
  H      -5.970338      1.345924      5.950303
  H      -4.770122     -2.904709      6.006699
  N      -3.014426      3.682803      4.240930
  N      -3.520595      4.285327      3.300325
  H      -2.785880      4.578562      2.610639
89
Coordinates from ORCA-job orca E -6561.634187211682
  N      -1.803067      1.140958      5.556630
  Mo     -3.131964      2.603601      5.841692
  N      -4.377106      1.854301      7.203289
  C      -3.992523      1.954524      8.605924
  C      -2.490095      1.744968      8.695803
  N      -1.819019      2.663373      7.722955
  C      -0.490141      2.152774      7.296687
  C      -0.690691      0.907922      6.450901
  C      -1.714086      4.035371      8.302404
  C      -2.039723      5.049187      7.222229
  N      -3.252769      4.582163      6.580077
  H       0.242891      0.688786      5.896168
  H      -0.880269      0.020531      7.091623
  H      -0.024426      2.947677      6.697445
  H       0.150981      1.953333      8.173515
  H      -2.184155      6.047356      7.673896
  H      -1.193988      5.151837      6.516356
  H      -2.454194      4.118841      9.108440
  H      -0.711459      4.177786      8.736664
  H      -4.496959      1.192322      9.221020
  H      -4.272337      2.947940      9.011800
  H      -2.273775      0.710270      8.406770
  H      -2.090267      1.927253      9.708554
  C      -4.057609     -5.253226      1.144844
  C      -3.387038     -4.146609      1.927624
  O      -2.230923     -4.266724      2.321949
  C      -4.165768     -2.898493      2.204649
  C      -5.452692     -2.673918      1.685105
  C      -6.117232     -1.480806      1.976979
  C      -5.504795     -0.527682      2.773335
  F      -6.201002      0.600246      3.039848
  C      -4.208192     -0.702276      3.326667
  C      -3.560420      0.238558      4.204201
  O      -4.072560      1.387933      4.480301
  C      -2.235097     -0.048373      4.841628
  C      -3.577067     -1.928532      3.016024
  C      -4.903859     10.205792      0.004649
  C      -4.058324      9.364651      0.935692
  O      -2.868693      9.171185      0.705037
  C      -4.710563      8.771810      2.146151
  C      -6.075736      8.951259      2.430641
  C      -6.638177      8.374613      3.564096
  C      -5.833987      7.609150      4.402378
  F      -6.426831      7.075441      5.499381
  C      -4.467577      7.399531      4.164368
  C      -3.523927      6.574222      5.008341
  O      -2.316840      6.734849      4.877848
  C      -4.113619      5.580112      6.015201
  C      -3.933266      8.009049      3.022816
  C      -6.928068     -5.768436      3.863943
  C      -6.034827     -4.814918      4.627970
  O      -4.873074     -5.113825      4.886797
  C      -6.603526     -3.499916      5.056043
  C      -7.922302     -3.120180      4.750975
  C      -8.408834     -1.882116      5.154452
  C      -7.567450     -1.022754      5.852604
  F      -8.090315      0.164842      6.242215
  C      -6.242342     -1.351193      6.180890
  C      -5.269341     -0.453410      6.891322
  O      -4.256135     -0.932423      7.394683
  C      -5.539508      1.053238      6.920485
  C      -5.791779     -2.613955      5.770073
  H      -3.359727     -6.090145      1.037890
  H      -4.965912     -5.595822      1.661423
  H      -4.362525     -4.898492      0.148539
  H      -5.939818     -3.416494      1.054020
  H      -7.118182     -1.276245      1.595893
  H      -1.503937     -0.391202      4.079159
  H      -2.338420     -0.890620      5.561951
  H      -2.588829     -2.151972      3.416886
  H      -5.344485     11.060952      0.539217
  H      -5.738045      9.614258     -0.402667
  H      -4.278590     10.569717     -0.817306
  H      -6.708295      9.542733      1.768739
  H      -7.691510      8.505624      3.812871
  H      -4.538576      6.216199      6.823654
  H      -4.986378      5.095287      5.552874
  H      -2.871437      7.870880      2.814268
  H      -7.817363     -6.034247      4.455461
  H      -6.362988     -6.676517      3.628314
  H      -7.286497     -5.304564      2.932212
  H      -8.577629     -3.789836      4.194301
  H      -9.430004     -1.566691      4.939796
  H      -6.338859      1.226247      7.668598
  H      -5.973069      1.346403      5.954265
  H      -4.766467     -2.901860      6.005454
  N      -3.016440      3.682519      4.243329
  N      -3.522918      4.284368      3.302395
  H      -2.788504      4.577014      2.612259
89
Coordinates from ORCA-job orca E -6561.634187677123
  N      -1.807601      1.140458      5.559116
  Mo     -3.135107      2.603971      5.844764
  N      -4.380602      1.856379      7.207202
  C      -3.995544      1.957593      8.609674
  C      -2.493375      1.745996      8.699653
  N      -1.821286      2.662704      7.725892
  C      -0.493318      2.149811      7.299606
  C      -0.696065      0.905266      6.454010
  C      -1.714135      4.035001      8.304284
  C      -2.039439      5.048525      7.223830
  N      -3.253759      4.582998      6.582807
  H       0.237320      0.684284      5.899703
  H      -0.887881      0.018289      7.094608
  H      -0.026427      2.943737      6.699977
  H       0.147590      1.949630      8.176405
  H      -2.182060      6.047150      7.675056
  H      -1.194103      5.149487      6.517255
  H      -2.453339      4.119916      9.111024
  H      -0.710927      4.176606      8.737464
  H      -4.501178      1.196949      9.225734
  H      -4.273797      2.951899      9.014392
  H      -2.278737      0.710734      8.411476
  H      -2.093240      1.928618      9.712211
  C      -4.059372     -5.244915      1.133112
  C      -3.389324     -4.139668      1.918225
  O      -2.232489     -4.259317      2.310609
  C      -4.169312     -2.893363      2.199776
  C      -5.457518     -2.669327      1.683129
  C      -6.123317     -1.477950      1.979075
  C      -5.510712     -0.525807      2.776529
  F      -6.208185      0.600282      3.047287
  C      -4.212786     -0.699905      3.326946
  C      -3.564923      0.239897      4.205509
  O      -4.077198      1.388687      4.483781
  C      -2.239143     -0.047560      4.841738
  C      -3.580508     -1.924529      3.012379
  C      -4.902830     10.191053     -0.004808
  C      -4.057737      9.351239      0.927800
  O      -2.869456      9.152496      0.694631
  C      -4.708451      8.766091      2.142757
  C      -6.071964      8.952256      2.430897
  C      -6.633180      8.382221      3.568335
  C      -5.829501      7.616434      4.406818
  F      -6.421044      7.088932      5.507533
  C      -4.464648      7.400599      4.165384
  C      -3.521717      6.574386      5.009451
  O      -2.314509      6.732199      4.877255
  C      -4.112666      5.582736      6.018129
  C      -3.931472      8.003670      3.019985
  C      -6.916401     -5.767696      3.861035
  C      -6.025626     -4.814046      4.627739
  O      -4.863637     -5.111374      4.887294
  C      -6.596831     -3.500475      5.056882
  C      -7.916275     -3.122891      4.751971
  C      -8.405263     -1.886182      5.156643
  C      -7.565594     -1.025975      5.855753
  F      -8.090523      0.160397      6.246445
  C      -6.239913     -1.352238      6.183857
  C      -5.268720     -0.453016      6.895041
  O      -4.255057     -0.930502      7.398815
  C      -5.541834      1.053190      6.925077
  C      -5.786827     -2.613675      5.771860
  H      -3.360215     -6.080190      1.021814
  H      -4.965870     -5.590982      1.650552
  H      -4.367293     -4.887478      0.138715
  H      -5.944811     -3.411038      1.051164
  H      -7.125251     -1.273999      1.600291
  H      -1.508253     -0.388289      4.078075
  H      -2.341594     -0.891301      5.560361
  H      -2.591256     -2.147437      3.411021
  H      -5.336579     11.051963      0.526184
  H      -5.741929      9.601630     -0.405012
  H      -4.279058     10.546656     -0.831522
  H      -6.704148      9.543843      1.768741
  H      -7.685149      8.518529      3.819989
  H      -4.534585      6.220473      6.826800
  H      -4.987471      5.100202      5.557180
  H      -2.870865      7.860532      2.808597
  H      -7.805706     -6.036253      4.451292
  H      -6.349443     -6.674278      3.624170
  H      -7.274875     -5.302726      2.929883
  H      -8.570182     -3.793258      4.194500
  H      -9.427027     -1.572570      4.942187
  H      -6.340758      1.224147      7.674067
  H      -5.976965      1.345780      5.959395
  H      -4.761015     -2.899980      6.006983
  N      -3.019853      3.682177      4.245950
  N      -3.526987      4.283317      3.304828
  H      -2.793222      4.575455      2.613819
89
Coordinates from ORCA-job orca E -6561.634188222401
  N      -1.809729      1.139966      5.560716
  Mo     -3.136539      2.604010      5.846549
  N      -4.382000      1.857121      7.209499
  C      -3.996582      1.959056      8.611819
  C      -2.494534      1.746755      8.701782
  N      -1.822089      2.662481      7.727362
  C      -0.494610      2.148527      7.300997
  C      -0.698516      0.903936      6.455816
  C      -1.713918      4.034959      8.305222
  C      -2.039078      5.048375      7.224679
  N      -3.254001      4.583385      6.584217
  H       0.234680      0.681829      5.901638
  H      -0.891289      0.017401      7.096733
  H      -0.027248      2.941903      6.700992
  H       0.146228      1.948217      8.177819
  H      -2.181012      6.047174      7.675704
  H      -1.193950      5.148696      6.517780
  H      -2.452867      4.120548      9.112151
  H      -0.710529      4.176080      8.738127
  H      -4.502493      1.199089      9.228508
  H      -4.274302      2.953766      9.015906
  H      -2.280509      0.711155      8.414346
  H      -2.094252      1.929869      9.714189
  C      -4.060275     -5.240123      1.126078
  C      -3.390540     -4.136087      1.913168
  O      -2.233823     -4.256261      2.305747
  C      -4.170805     -2.890383      2.196638
  C      -5.459076     -2.665887      1.680376
  C      -6.125256     -1.475197      1.978105
  C      -5.512859     -0.524070      2.776926
  F      -6.210511      0.601465      3.049350
  C      -4.214800     -0.698638      3.326985
  C      -3.567110      0.240414      4.206531
  O      -4.079428      1.388954      4.485734
  C      -2.241360     -0.047523      4.842570
  C      -3.582183     -1.922609      3.010663
  C      -4.901835     10.184398     -0.009233
  C      -4.057131      9.345147      0.924178
  O      -2.869282      9.144424      0.690418
  C      -4.707594      8.762897      2.140655
  C      -6.070597      8.951360      2.429808
  C      -6.631467      8.383787      3.568641
  C      -5.828047      7.618103      4.407479
  F      -6.419318      7.092916      5.509491
  C      -4.463720      7.400238      4.165179
  C      -3.520904      6.574165      5.009745
  O      -2.313672      6.731255      4.877027
  C      -4.112151      5.583690      6.019363
  C      -3.930795      8.000880      3.018421
  C      -6.911242     -5.767129      3.860099
  C      -6.021203     -4.812844      4.626860
  O      -4.858699     -5.108876      4.885572
  C      -6.593989     -3.500490      5.057645
  C      -7.914229     -3.124524      4.754142
  C      -8.404634     -1.888862      5.160323
  C      -7.565633     -1.028070      5.859483
  F      -8.092054      0.157161      6.251778
  C      -6.239253     -1.352720      6.186267
  C      -5.268653     -0.452901      6.897555
  O      -4.254051     -0.929657      7.400107
  C      -5.542863      1.053107      6.927882
  C      -5.784717     -2.613135      5.772742
  H      -3.360910     -6.075023      1.013240
  H      -4.966620     -5.587375      1.643016
  H      -4.368406     -4.881002      0.132357
  H      -5.946137     -3.406734      1.047205
  H      -7.127243     -1.270972      1.599598
  H      -1.510482     -0.387692      4.078641
  H      -2.343876     -0.891756      5.560600
  H      -2.592861     -2.145809      3.408968
  H      -5.331655     11.048225      0.520270
  H      -5.743672      9.596508     -0.405870
  H      -4.278732     10.535764     -0.838265
  H      -6.702582      9.542872      1.767379
  H      -7.683010      8.521934      3.821097
  H      -4.533086      6.222152      6.827965
  H      -4.987737      5.101918      5.559052
  H      -2.870551      7.856182      2.806263
  H      -7.799544     -6.037681      4.450965
  H      -6.343067     -6.672588      3.621831
  H      -7.271391     -5.301848      2.929753
  H      -8.567655     -3.795339      4.196641
  H      -9.427074     -1.576670      4.947001
  H      -6.341506      1.223237      7.677340
  H      -5.978725      1.345561      5.962489
  H      -4.758305     -2.898270      6.006706
  N      -3.021020      3.681868      4.247776
  N      -3.528306      4.282818      3.306584
  H      -2.794785      4.574325      2.615188
