99
Coordinates from ORCA-job orca E -6428.763255499862
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
99
Coordinates from ORCA-job orca E -6428.811883559866
  N      -2.815499      0.508246      4.682881
  Mo     -3.506026      2.335839      4.836970
  N      -4.850373      1.978234      6.185043
  C      -4.403666      1.779064      7.563519
  C      -2.977170      1.218767      7.592907
  N      -2.129458      1.967644      6.644165
  C      -1.002549      1.151617      6.164624
  C      -1.533173      0.073646      5.194887
  C      -1.633561      3.227308      7.229782
  C      -1.679624      4.272467      6.107502
  N      -2.982170      4.148839      5.479507
  H      -0.798372     -0.074496      4.386860
  H      -1.642994     -0.891661      5.718545
  H      -0.312992      1.816529      5.632395
  H      -0.465196      0.687904      7.006006
  H      -1.508302      5.278071      6.513866
  H      -0.883809      4.066624      5.372590
  H      -2.313485      3.546575      8.027121
  H      -0.624732      3.105903      7.649508
  H      -5.069205      1.073436      8.085786
  H      -4.445252      2.732776      8.118781
  H      -3.013861      0.171343      7.275908
  H      -2.556774      1.260539      8.609112
  C      -3.756886     -0.564917      4.446420
  C      -3.354952     -1.488288      3.277013
  C      -3.298138     -0.729179      1.960135
  O      -4.649786     -0.393488      1.594842
  C      -4.818714      0.025946      0.296082
  C      -5.588709     -0.731798     -0.568211
  C      -5.779399     -0.279405     -1.882785
  N      -5.261764      0.834419     -2.367732
  C      -4.509778      1.597775     -1.536445
  C      -3.956471      2.809046     -2.008378
  C      -3.215110      3.585413     -1.141888
  C      -3.034290      3.150217      0.179781
  N      -3.522397      2.019939      0.658991
  C      -4.254008      1.243192     -0.174367
  C      -3.903072      5.231138      5.790965
  C      -4.975413      5.435326      4.714484
  C      -4.372810      5.882430      3.377241
  O      -5.087856      5.350201      2.265667
  C      -6.326962      5.791276      1.955440
  C      -6.921005      6.967606      2.381659
  C      -8.176748      7.313937      1.858393
  N      -8.835908      6.613402      0.953656
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  C      -8.933413      4.669794     -0.449283
  C      -8.371987      3.467786     -0.821254
  C      -7.203255      3.036640     -0.172155
  N      -6.543175      3.742161      0.725356
  C      -7.048103      4.956494      1.052567
  C      -6.289474      1.888960      6.053889
  C      -7.070938      3.042261      6.740751
  C      -8.292333      3.465134      5.933123
  O      -7.872898      4.013793      4.675417
  C      -8.818451      3.873490      3.682038
  C      -9.813838      4.819643      3.509436
  C     -10.754168      4.634080      2.490148
  N     -10.766894      3.591266      1.676674
  C      -9.810132      2.646127      1.841127
  C      -9.803689      1.509643      1.006591
  C      -8.829987      0.544679      1.196520
  C      -7.854591      0.747691      2.177240
  N      -7.811945      1.807529      2.976607
  C      -8.782734      2.744009      2.829438
  H      -3.862217     -1.189437      5.356056
  H      -4.734930     -0.124584      4.213587
  H      -2.370857     -1.929357      3.469023
  H      -4.089863     -2.296477      3.186303
  H      -2.858209     -1.356095      1.169841
  H      -2.702267      0.189201      2.062473
  H      -6.034860     -1.658612     -0.223882
  H      -6.380585     -0.860908     -2.579610
  H      -4.138648      3.099687     -3.037589
  H      -2.778791      4.524294     -1.467217
  H      -2.457743      3.740018      0.892387
  H      -3.346485      6.177404      5.899162
  H      -4.412327      5.031000      6.753560
  H      -5.713382      6.168806      5.057891
  H      -5.490912      4.480102      4.551682
  H      -3.369657      5.451817      3.255330
  H      -4.301066      6.977651      3.309462
  H      -6.438157      7.631340      3.088996
  H      -8.660962      8.233812      2.182672
  H      -9.859935      5.035869     -0.876729
  H      -8.831007      2.836242     -1.575032
  H      -6.786357      2.055248     -0.388295
  H      -6.646008      0.934223      6.484145
  H      -6.540238      1.895883      4.978113
  H      -6.411906      3.911588      6.838914
  H      -7.413982      2.745090      7.737255
  H      -8.871038      4.231697      6.471828
  H      -8.944981      2.597398      5.753204
  H      -9.853698      5.692222      4.152361
  H     -11.537196      5.369711      2.321553
  H     -10.569305      1.416526      0.244031
  H      -8.804097     -0.348814      0.581577
  H      -7.048401      0.028614      2.324065
  N      -4.545606      2.679338      3.137757
99
Coordinates from ORCA-job orca E -6428.853451423509
  N      -2.819208      0.488353      4.685801
  Mo     -3.515633      2.331704      4.850693
  N      -4.871017      1.982347      6.192536
  C      -4.417530      1.778089      7.574428
  C      -2.992356      1.207431      7.611709
  N      -2.130640      1.953686      6.667419
  C      -1.003090      1.132747      6.184015
  C      -1.532605      0.059922      5.206399
  C      -1.625965      3.214728      7.254957
  C      -1.665207      4.256697      6.129132
  N      -2.973477      4.150905      5.493880
  H      -0.790869     -0.082315      4.400943
  H      -1.642765     -0.910678      5.725199
  H      -0.310614      1.802426      5.655992
  H      -0.464860      0.663845      7.025455
  H      -1.485285      5.264411      6.533019
  H      -0.866528      4.040855      5.397442
  H      -2.305013      3.539340      8.053819
  H      -0.615665      3.084943      7.677980
  H      -5.090146      1.074608      8.094120
  H      -4.453402      2.733016      8.132593
  H      -3.034058      0.158965      7.292204
  H      -2.575332      1.244745      8.632522
  C      -3.750881     -0.599749      4.432720
  C      -3.332166     -1.512652      3.256938
  C      -3.276487     -0.753592      1.938869
  O      -4.636454     -0.434517      1.566617
  C      -4.832117     -0.010980      0.279473
  C      -5.607924     -0.776625     -0.573133
  C      -5.838466     -0.320591     -1.887860
  N      -5.353209      0.808725     -2.385051
  C      -4.593495      1.582600     -1.558611
  C      -4.073532      2.811622     -2.033264
  C      -3.329848      3.599200     -1.178220
  C      -3.106849      3.157293      0.143450
  N      -3.559786      2.011178      0.624079
  C      -4.298560      1.223973     -0.199842
  C      -3.889020      5.247182      5.796655
  C      -4.958468      5.478581      4.719509
  C      -4.353765      5.924190      3.382070
  O      -5.086723      5.417274      2.265041
  C      -6.307174      5.880186      1.964288
  C      -6.885534      7.065595      2.397683
  C      -8.143078      7.431929      1.875035
  N      -8.820834      6.742607      0.964731
  C      -8.275342      5.564269      0.544518
  C      -8.938745      4.785181     -0.437663
  C      -8.393850      3.572187     -0.807161
  C      -7.218191      3.127102     -0.161841
  N      -6.548083      3.832517      0.731781
  C      -7.042995      5.054545      1.057712
  C      -6.315890      1.903156      6.045019
  C      -7.108264      3.055719      6.726947
  C      -8.325472      3.468426      5.912259
  O      -7.893754      4.007332      4.652564
  C      -8.816070      3.845825      3.651118
  C      -9.809453      4.777534      3.418426
  C     -10.723132      4.550256      2.369647
  N     -10.705946      3.480258      1.584891
  C      -9.741580      2.546276      1.814767
  C      -9.688657      1.380572      1.016541
  C      -8.715217      0.434772      1.275425
  C      -7.773483      0.680700      2.294854
  N      -7.771527      1.766503      3.056488
  C      -8.746934      2.685565      2.836545
  H      -3.852766     -1.226701      5.342522
  H      -4.733893     -0.171157      4.197609
  H      -2.340284     -1.944045      3.453728
  H      -4.058384     -2.333135      3.160051
  H      -2.824628     -1.374388      1.147416
  H      -2.692972      0.172927      2.045332
  H      -6.031912     -1.716350     -0.221836
  H      -6.448414     -0.916763     -2.572049
  H      -4.286342      3.106667     -3.060121
  H      -2.921113      4.553957     -1.508393
  H      -2.526440      3.761818      0.849746
  H      -3.316952      6.186586      5.909527
  H      -4.404177      5.050505      6.758676
  H      -5.681626      6.225883      5.074712
  H      -5.496282      4.534001      4.544759
  H      -3.359345      5.473990      3.246596
  H      -4.260325      7.021876      3.324474
  H      -6.389080      7.721443      3.110000
  H      -8.611775      8.362321      2.208533
  H      -9.868068      5.160502     -0.862643
  H      -8.871486      2.938758     -1.555095
  H      -6.807781      2.135469     -0.375855
  H      -6.675896      0.946493      6.471742
  H      -6.555097      1.911797      4.960212
  H      -6.448671      3.928378      6.832297
  H      -7.463238      2.759011      7.723816
  H      -8.916925      4.234673      6.442211
  H      -8.970447      2.592267      5.731448
  H      -9.872360      5.675546      4.030744
  H     -11.505492      5.281617      2.155348
  H     -10.422773      1.256999      0.221615
  H      -8.655250     -0.481040      0.688184
  H      -6.966185     -0.028827      2.495208
  N      -4.502848      2.655733      3.277979
99
Coordinates from ORCA-job orca E -6428.881876769130
  N      -2.814289      0.479093      4.687173
  Mo     -3.514785      2.338986      4.853756
  N      -4.872954      2.000553      6.198082
  C      -4.407464      1.796305      7.578923
  C      -2.982221      1.219724      7.619752
  N      -2.112412      1.959535      6.675791
  C      -0.988994      1.131018      6.189382
  C      -1.524245      0.057523      5.213439
  C      -1.600280      3.225941      7.254714
  C      -1.639891      4.261790      6.121064
  N      -2.953260      4.165548      5.486274
  H      -0.780392     -0.086607      4.408850
  H      -1.634226     -0.913257      5.734430
  H      -0.295543      1.799916      5.659332
  H      -0.447714      0.661838      7.030412
  H      -1.453663      5.272620      6.517509
  H      -0.841913      4.037237      5.390281
  H      -2.276187      3.557142      8.054877
  H      -0.588414      3.093156      7.677445
  H      -5.082753      1.095894      8.100879
  H      -4.437818      2.752955      8.136001
  H      -3.027178      0.170137      7.301396
  H      -2.566352      1.257145      8.642310
  C      -3.744918     -0.612963      4.429549
  C      -3.329311     -1.527227      3.255510
  C      -3.268393     -0.772207      1.937020
  O      -4.625639     -0.438623      1.550447
  C      -4.796457     -0.011592      0.266974
  C      -5.580802     -0.755633     -0.596154
  C      -5.789397     -0.290689     -1.914895
  N      -5.275954      0.829307     -2.409178
  C      -4.505263      1.582722     -1.568277
  C      -3.954736      2.803897     -2.031692
  C      -3.205054      3.573463     -1.167319
  C      -3.001311      3.120324      0.158225
  N      -3.479838      1.980975      0.627958
  C      -4.229314      1.213978     -0.206858
  C      -3.870290      5.262623      5.778063
  C      -4.939139      5.470278      4.697726
  C      -4.350542      5.903130      3.351086
  O      -5.086103      5.373726      2.238801
  C      -6.315911      5.803270      1.952138
  C      -6.926130      6.964380      2.411107
  C      -8.200697      7.303806      1.905465
  N      -8.870932      6.617375      0.985373
  C      -8.291863      5.460618      0.539312
  C      -8.943414      4.680982     -0.450766
  C      -8.375050      3.488388     -0.846287
  C      -7.179374      3.060049     -0.221077
  N      -6.517526      3.767650      0.679447
  C      -7.040997      4.971696      1.032800
  C      -6.318745      1.929638      6.044998
  C      -7.110985      3.075044      6.734049
  C      -8.339271      3.489279      5.938823
  O      -7.946296      4.053597      4.672280
  C      -8.896890      3.898324      3.700361
  C      -9.912319      4.816016      3.525765
  C     -10.864931      4.597087      2.504145
  N     -10.860497      3.551374      1.687333
  C      -9.864390      2.632528      1.853524
  C      -9.808350      1.498477      1.007906
  C      -8.802570      0.572112      1.191422
  C      -7.827000      0.802467      2.191227
  N      -7.830058      1.856037      2.994691
  C      -8.835743      2.758879      2.844613
  H      -3.847855     -1.235603      5.342473
  H      -4.727690     -0.183874      4.194431
  H      -2.337065     -1.962110      3.452345
  H      -4.057907     -2.348213      3.161268
  H      -2.817499     -1.395942      1.146537
  H      -2.680820      0.151755      2.045388
  H      -6.030570     -1.687565     -0.251207
  H      -6.407976     -0.875934     -2.603353
  H      -4.152974      3.107976     -3.060689
  H      -2.775487      4.523520     -1.489775
  H      -2.417205      3.715511      0.872232
  H      -3.300205      6.205275      5.885933
  H      -4.388074      5.073940      6.740872
  H      -5.668304      6.215295      5.048920
  H      -5.468376      4.519924      4.535267
  H      -3.351146      5.465426      3.208889
  H      -4.273403      7.002678      3.281308
  H      -6.441836      7.620783      3.133728
  H      -8.689216      8.216113      2.264789
  H      -9.888458      5.040015     -0.859531
  H      -8.849336      2.853547     -1.597808
  H      -6.749470      2.081341     -0.457397
  H      -6.677296      0.970671      6.469245
  H      -6.555595      1.942164      4.960057
  H      -6.451380      3.949044      6.846574
  H      -7.461142      2.768964      7.731857
  H      -8.926398      4.244644      6.490383
  H      -8.982932      2.610613      5.759180
  H      -9.967146      5.701086      4.160405
  H     -11.666368      5.323725      2.342554
  H     -10.565789      1.390630      0.229985
  H      -8.737128     -0.316763      0.561967
  H      -6.990030      0.106736      2.327809
  N      -4.450025      2.635580      3.412412
99
Coordinates from ORCA-job orca E -6428.891511828357
  N      -2.813290      0.463311      4.687816
  Mo     -3.536162      2.331734      4.870130
  N      -4.906170      2.001023      6.209839
  C      -4.440911      1.792161      7.589092
  C      -3.015990      1.208697      7.645868
  N      -2.123860      1.944627      6.721196
  C      -1.002535      1.115019      6.233825
  C      -1.528053      0.052288      5.237907
  C      -1.619120      3.213358      7.300507
  C      -1.649417      4.242908      6.160673
  N      -2.955074      4.165245      5.503297
  H      -0.768433     -0.082687      4.445607
  H      -1.640013     -0.925248      5.747081
  H      -0.304097      1.790112      5.717875
  H      -0.464342      0.637815      7.073418
  H      -1.461252      5.255900      6.552555
  H      -0.841239      4.012069      5.443111
  H      -2.303055      3.544783      8.094178
  H      -0.611613      3.080873      7.735803
  H      -5.123812      1.093584      8.104280
  H      -4.471401      2.747243      8.148822
  H      -3.058541      0.160391      7.322168
  H      -2.617867      1.240246      8.676234
  C      -3.715418     -0.643428      4.393960
  C      -3.274755     -1.535663      3.214437
  C      -3.235940     -0.777440      1.899815
  O      -4.610494     -0.493461      1.520161
  C      -4.818756     -0.065466      0.245490
  C      -5.601333     -0.827767     -0.603027
  C      -5.863004     -0.362932     -1.911393
  N      -5.406868      0.775890     -2.413772
  C      -4.641739      1.549153     -1.586103
  C      -4.156348      2.795314     -2.053339
  C      -3.417698      3.589758     -1.205364
  C      -3.154643      3.133561      0.108924
  N      -3.567944      1.971763      0.581026
  C      -4.311959      1.183647     -0.237477
  C      -3.861754      5.276165      5.778126
  C      -4.914631      5.512774      4.690255
  C      -4.301938      5.952333      3.361103
  O      -5.040998      5.452965      2.234386
  C      -6.259552      5.913534      1.949161
  C      -6.845942      7.082896      2.417548
  C      -8.112602      7.453346      1.916617
  N      -8.802219      6.792839      0.995018
  C      -8.249635      5.624621      0.545410
  C      -8.929188      4.855960     -0.432620
  C      -8.400083      3.645153     -0.822390
  C      -7.205866      3.192187     -0.212947
  N      -6.518006      3.887911      0.676235
  C      -7.009579      5.104146      1.029212
  C      -6.347275      1.942471      6.037685
  C      -7.135902      3.089564      6.724268
  C      -8.361069      3.491924      5.923095
  O      -7.954110      4.040294      4.650637
  C      -8.874964      3.842419      3.659910
  C      -9.882427      4.747227      3.401656
  C     -10.794865      4.475633      2.355609
  N     -10.758991      3.396700      1.587503
  C      -9.765431      2.492623      1.832941
  C      -9.660524      1.330404      1.031010
  C      -8.658876      0.420434      1.291943
  C      -7.732975      0.692871      2.329095
  N      -7.779759      1.775068      3.089619
  C      -8.781226      2.664381      2.858089
  H      -3.812428     -1.274752      5.301623
  H      -4.707123     -0.235350      4.158471
  H      -2.271928     -1.947195      3.409947
  H      -3.978789     -2.378039      3.114348
  H      -2.770374     -1.384402      1.105234
  H      -2.681452      0.166449      2.007169
  H      -6.010097     -1.776849     -0.253732
  H      -6.480020     -0.969260     -2.582852
  H      -4.398219      3.098369     -3.073488
  H      -3.040255      4.560879     -1.530118
  H      -2.578892      3.752163      0.807261
  H      -3.276571      6.208070      5.904080
  H      -4.397304      5.094497      6.732957
  H      -5.632109      6.266899      5.046110
  H      -5.465719      4.577116      4.506245
  H      -3.312145      5.496369      3.223711
  H      -4.201187      7.050543      3.304472
  H      -6.346627      7.722567      3.144478
  H      -8.575920      8.374780      2.286405
  H      -9.872028      5.234231     -0.829700
  H      -8.908055      3.011569     -1.552493
  H      -6.803397      2.202103     -0.448321
  H      -6.714055      0.982357      6.452795
  H      -6.568839      1.961489      4.950295
  H      -6.475776      3.963097      6.842282
  H      -7.491925      2.787410      7.721751
  H      -8.959890      4.247845      6.460987
  H      -8.996521      2.606674      5.745639
  H      -9.958285      5.667067      3.982364
  H     -11.586772      5.196327      2.131357
  H     -10.372760      1.196993      0.214675
  H      -8.553609     -0.487160      0.695344
  H      -6.899399      0.008302      2.524306
  N      -4.435448      2.611318      3.518364
99
Coordinates from ORCA-job orca E -6428.899021399817
  N      -2.868535      0.457407      4.684758
  Mo     -3.580686      2.333180      4.881331
  N      -4.935150      2.036846      6.247766
  C      -4.453425      1.834039      7.619350
  C      -3.037891      1.228711      7.667770
  N      -2.135213      1.939408      6.736242
  C      -1.040308      1.084973      6.238431
  C      -1.591778      0.031441      5.244995
  C      -1.614563      3.212316      7.289521
  C      -1.638501      4.222300      6.131219
  N      -2.945117      4.166753      5.472583
  H      -0.830944     -0.118499      4.456201
  H      -1.718218     -0.945391      5.752762
  H      -0.333347      1.746150      5.716045
  H      -0.499604      0.599816      7.072325
  H      -1.427992      5.239330      6.501649
  H      -0.834487      3.965260      5.417862
  H      -2.290227      3.562410      8.082427
  H      -0.606586      3.075924      7.723006
  H      -5.140018      1.149991      8.149496
  H      -4.465043      2.793741      8.171815
  H      -3.096965      0.179056      7.350632
  H      -2.637146      1.259481      8.697412
  C      -3.773834     -0.634434      4.355398
  C      -3.331173     -1.509536      3.165892
  C      -3.261098     -0.735641      1.861587
  O      -4.622522     -0.415063      1.458954
  C      -4.789653      0.036118      0.185702
  C      -5.617027     -0.664737     -0.673630
  C      -5.843016     -0.172285     -1.977359
  N      -5.312641      0.938201     -2.467989
  C      -4.502159      1.651650     -1.630911
  C      -3.940000      2.870369     -2.083897
  C      -3.160297      3.611869     -1.225381
  C      -2.927194      3.125767      0.082906
  N      -3.407763      1.984212      0.540521
  C      -4.200993      1.253987     -0.285459
  C      -3.822975      5.304359      5.718621
  C      -4.875885      5.518264      4.629205
  C      -4.263004      5.901975      3.284876
  O      -5.013479      5.369876      2.179546
  C      -6.242168      5.815813      1.908255
  C      -6.839289      6.971425      2.395370
  C      -8.118888      7.326449      1.918703
  N      -8.812158      6.666156      1.001643
  C      -8.249933      5.510101      0.534887
  C      -8.939004      4.734897     -0.430440
  C      -8.406602      3.528683     -0.828765
  C      -7.192721      3.091875     -0.249090
  N      -6.495260      3.795242      0.626468
  C      -6.995847      5.002852      0.994489
  C      -6.376502      1.996278      6.090584
  C      -7.143796      3.153075      6.778796
  C      -8.391667      3.530189      6.002045
  O      -8.020580      4.060154      4.708581
  C      -8.958966      3.829717      3.740628
  C      -9.981169      4.718380      3.484219
  C     -10.913326      4.415169      2.465531
  N     -10.877669      3.327092      1.711777
  C      -9.858853      2.448042      1.941073
  C      -9.732023      1.295383      1.128389
  C      -8.695379      0.417543      1.360391
  C      -7.763060      0.708512      2.385094
  N      -7.832874      1.781247      3.157421
  C      -8.861353      2.644515      2.948046
  H      -3.890965     -1.279992      5.250839
  H      -4.759331     -0.211259      4.118867
  H      -2.336792     -1.939224      3.365793
  H      -4.042629     -2.343072      3.046365
  H      -2.796195     -1.341566      1.066196
  H      -2.692324      0.197236      1.987058
  H      -6.088959     -1.587989     -0.335176
  H      -6.495431     -0.732865     -2.655022
  H      -4.160913      3.197838     -3.101151
  H      -2.727717      4.563836     -1.537001
  H      -2.324002      3.706975      0.789462
  H      -3.217996      6.226972      5.818340
  H      -4.361065      5.165051      6.679506
  H      -5.582086      6.291662      4.965159
  H      -5.442860      4.586556      4.478730
  H      -3.278942      5.430335      3.160189
  H      -4.150751      6.995875      3.185788
  H      -6.339495      7.610684      3.122168
  H      -8.588627      8.237325      2.306054
  H      -9.896189      5.100369     -0.804399
  H      -8.929279      2.884078     -1.537911
  H      -6.783027      2.107618     -0.495692
  H      -6.746649      1.040994      6.514496
  H      -6.609921      2.011670      5.008804
  H      -6.483236      4.029334      6.872001
  H      -7.474605      2.867424      7.789925
  H      -8.985906      4.288433      6.541321
  H      -9.023373      2.636750      5.855580
  H     -10.051034      5.652620      4.042228
  H     -11.718629      5.123208      2.248417
  H     -10.445760      1.153837      0.314985
  H      -8.565988     -0.476209      0.748212
  H      -6.900897      0.052055      2.551828
  N      -4.530326      2.614759      3.534522
99
Coordinates from ORCA-job orca E -6428.904483434089
  N      -2.846055      0.441525      4.707298
  Mo     -3.594749      2.309638      4.911965
  N      -4.944534      2.027814      6.288710
  C      -4.461779      1.836505      7.658194
  C      -3.046715      1.232522      7.716623
  N      -2.129585      1.934816      6.795373
  C      -1.039213      1.080228      6.297071
  C      -1.578317      0.028722      5.295977
  C      -1.626595      3.221424      7.325013
  C      -1.644391      4.208877      6.147858
  N      -2.940162      4.154455      5.469695
  H      -0.800859     -0.121273      4.522954
  H      -1.706828     -0.950135      5.800310
  H      -0.330138      1.743830      5.780385
  H      -0.495966      0.593668      7.129069
  H      -1.433984      5.233129      6.499536
  H      -0.829860      3.939824      5.450988
  H      -2.311866      3.576977      8.107318
  H      -0.621844      3.102400      7.770942
  H      -5.148016      1.155635      8.194126
  H      -4.475979      2.799519      8.205146
  H      -3.099178      0.181402      7.402065
  H      -2.662467      1.265928      8.753096
  C      -3.718743     -0.662333      4.338904
  C      -3.247753     -1.504931      3.141352
  C      -3.197567     -0.712436      1.849757
  O      -4.573073     -0.426024      1.459039
  C      -4.772935      0.042435      0.198304
  C      -5.635261     -0.645308     -0.637985
  C      -5.907997     -0.141226     -1.926825
  N      -5.395501      0.972871     -2.426196
  C      -4.554411      1.676224     -1.611741
  C      -4.016174      2.902534     -2.072754
  C      -3.207163      3.639213     -1.238591
  C      -2.918122      3.138039      0.051949
  N      -3.374351      1.989007      0.516586
  C      -4.200325      1.265034     -0.283687
  C      -3.807051      5.305512      5.689200
  C      -4.860182      5.507289      4.600918
  C      -4.242155      5.860353      3.252179
  O      -4.993014      5.316983      2.149847
  C      -6.220095      5.772077      1.882698
  C      -6.803695      6.929822      2.380486
  C      -8.080850      7.303421      1.913181
  N      -8.787663      6.657742      0.997811
  C      -8.240981      5.497817      0.522171
  C      -8.945747      4.737230     -0.442751
  C      -8.429272      3.529479     -0.856311
  C      -7.214668      3.075995     -0.293023
  N      -6.502593      3.765358      0.582662
  C      -6.988382      4.973880      0.967128
  C      -6.381686      1.996031      6.114977
  C      -7.142209      3.163166      6.784493
  C      -8.393551      3.525734      6.005680
  O      -8.028722      4.049885      4.703454
  C      -8.969046      3.820581      3.735537
  C      -9.986419      4.716809      3.486357
  C     -10.928900      4.424501      2.474442
  N     -10.910199      3.340065      1.716638
  C      -9.889114      2.459108      1.926725
  C      -9.771612      1.316591      1.098018
  C      -8.723748      0.444481      1.295778
  C      -7.779706      0.723255      2.312059
  N      -7.849597      1.777964      3.108415
  C      -8.881606      2.642706      2.926853
  H      -3.833883     -1.324699      5.222350
  H      -4.712595     -0.257970      4.102758
  H      -2.243163     -1.913446      3.335797
  H      -3.933426     -2.358107      3.010208
  H      -2.721638     -1.294707      1.043954
  H      -2.657771      0.235413      1.983465
  H      -6.097608     -1.570412     -0.292027
  H      -6.586278     -0.696828     -2.582723
  H      -4.279186      3.238740     -3.076893
  H      -2.791648      4.596665     -1.555571
  H      -2.287715      3.716168      0.734968
  H      -3.192012      6.222655      5.776776
  H      -4.348517      5.194145      6.652501
  H      -5.558773      6.290576      4.929185
  H      -5.439099      4.580540      4.467443
  H      -3.262818      5.377219      3.143426
  H      -4.117855      6.950424      3.128633
  H      -6.293290      7.557991      3.109010
  H      -8.535341      8.217157      2.311862
  H      -9.901242      5.116745     -0.807043
  H      -8.963482      2.898726     -1.568278
  H      -6.814639      2.093525     -0.559447
  H      -6.764212      1.044186      6.537250
  H      -6.599226      2.008161      5.033414
  H      -6.481692      4.040469      6.869090
  H      -7.469799      2.894990      7.801994
  H      -8.989316      4.286840      6.538477
  H      -9.025116      2.630781      5.869578
  H     -10.045082      5.650469      4.046305
  H     -11.732678      5.139454      2.274137
  H     -10.497888      1.183405      0.294546
  H      -8.594765     -0.435817      0.664728
  H      -6.910598      0.069484      2.449274
  N      -4.584172      2.572395      3.582164
99
Coordinates from ORCA-job orca E -6428.908670399236
  N      -2.874821      0.437929      4.710406
  Mo     -3.637104      2.302854      4.936908
  N      -4.975291      2.038920      6.331670
  C      -4.489133      1.846999      7.696584
  C      -3.082248      1.229283      7.751905
  N      -2.151879      1.919545      6.838600
  C      -1.077391      1.057234      6.329583
  C      -1.619598      0.018714      5.319776
  C      -1.647613      3.209443      7.348466
  C      -1.648549      4.181101      6.159660
  N      -2.937268      4.145895      5.469342
  H      -0.831247     -0.137755      4.558396
  H      -1.761017     -0.962219      5.817627
  H      -0.361233      1.717777      5.818407
  H      -0.533526      0.557494      7.154059
  H      -1.422637      5.206720      6.499253
  H      -0.831183      3.893461      5.473089
  H      -2.334058      3.575652      8.124998
  H      -0.645196      3.093549      7.800796
  H      -5.178279      1.172737      8.238375
  H      -4.493075      2.810137      8.244077
  H      -3.142359      0.179323      7.433951
  H      -2.707018      1.254393      8.792761
  C      -3.725787     -0.669330      4.298150
  C      -3.219070     -1.480958      3.096348
  C      -3.170087     -0.677227      1.812857
  O      -4.550894     -0.441657      1.391014
  C      -4.738212      0.016119      0.126419
  C      -5.572238     -0.700727     -0.716719
  C      -5.824252     -0.229182     -2.021608
  N      -5.320278      0.883990     -2.532121
  C      -4.513968      1.620110     -1.709825
  C      -3.995936      2.851278     -2.181478
  C      -3.226185      3.625456     -1.342835
  C      -2.953138      3.154630     -0.037254
  N      -3.389347      2.002120      0.438900
  C      -4.181530      1.242732     -0.365674
  C      -3.774491      5.323185      5.675424
  C      -4.831341      5.542087      4.596239
  C      -4.213577      5.870705      3.241417
  O      -4.975599      5.330066      2.143605
  C      -6.203335      5.792897      1.888411
  C      -6.780645      6.948566      2.399104
  C      -8.063153      7.326432      1.949545
  N      -8.783390      6.684981      1.041782
  C      -8.243213      5.526247      0.554865
  C      -8.963971      4.766160     -0.398807
  C      -8.454100      3.558896     -0.822699
  C      -7.228153      3.107326     -0.283640
  N      -6.501295      3.796733      0.579700
  C      -6.983189      5.001791      0.977826
  C      -6.411915      2.023007      6.154725
  C      -7.158204      3.201398      6.816892
  C      -8.416464      3.553629      6.046296
  O      -8.057502      4.066901      4.736711
  C      -8.991123      3.814331      3.769420
  C     -10.013803      4.700613      3.504404
  C     -10.953415      4.388676      2.495723
  N     -10.926169      3.295475      1.751087
  C      -9.893014      2.429448      1.968257
  C      -9.757067      1.286159      1.143265
  C      -8.689266      0.436638      1.336860
  C      -7.750517      0.732702      2.353537
  N      -7.844973      1.782057      3.154198
  C      -8.889784      2.630770      2.969794
  H      -3.846297     -1.351112      5.166400
  H      -4.723870     -0.277919      4.056738
  H      -2.207329     -1.867826      3.300654
  H      -3.877243     -2.353221      2.946389
  H      -2.663193     -1.241126      1.012660
  H      -2.665450      0.288378      1.955989
  H      -6.022107     -1.629904     -0.365274
  H      -6.475399     -0.813949     -2.680866
  H      -4.245018      3.160586     -3.198170
  H      -2.828479      4.588091     -1.666918
  H      -2.351905      3.763844      0.645923
  H      -3.134693      6.224619      5.752139
  H      -4.312804      5.239993      6.644313
  H      -5.508837      6.342304      4.928452
  H      -5.435168      4.629828      4.475347
  H      -3.244070      5.367210      3.137427
  H      -4.067568      6.956396      3.102149
  H      -6.261703      7.571712      3.125346
  H      -8.509518      8.239050      2.360211
  H      -9.926161      5.145532     -0.745644
  H      -9.000872      2.928302     -1.525239
  H      -6.830074      2.128609     -0.562039
  H      -6.808168      1.075772      6.575702
  H      -6.624118      2.034474      5.073553
  H      -6.495847      4.078631      6.886305
  H      -7.474435      2.949297      7.842696
  H      -9.011068      4.319632      6.573017
  H      -9.047961      2.657216      5.921763
  H     -10.077931      5.643091      4.049039
  H     -11.762979      5.095905      2.290340
  H     -10.482313      1.139111      0.341125
  H      -8.540682     -0.438911      0.703388
  H      -6.866048      0.096787      2.485251
  N      -4.662829      2.564886      3.637794
99
Coordinates from ORCA-job orca E -6428.912560254209
  N      -2.837492      0.412355      4.736312
  Mo     -3.626214      2.268836      4.940028
  N      -4.969275      2.026992      6.337283
  C      -4.498253      1.856571      7.708321
  C      -3.093653      1.239172      7.785568
  N      -2.150187      1.915209      6.876958
  C      -1.072804      1.049955      6.385669
  C      -1.597815     -0.000029      5.383115
  C      -1.663147      3.222187      7.356201
  C      -1.641579      4.165684      6.142094
  N      -2.916615      4.124175      5.426854
  H      -0.791592     -0.174677      4.642591
  H      -1.753209     -0.972251      5.893962
  H      -0.350402      1.705231      5.876456
  H      -0.534755      0.557193      7.218125
  H      -1.416040      5.198689      6.461541
  H      -0.810820      3.859643      5.476612
  H      -2.364614      3.605012      8.112764
  H      -0.667382      3.125058      7.829784
  H      -5.191023      1.190452      8.256672
  H      -4.507813      2.827627      8.241957
  H      -3.148842      0.185613      7.478729
  H      -2.736042      1.273816      8.833301
  C      -3.666586     -0.702421      4.295533
  C      -3.137606     -1.490083      3.088473
  C      -3.106328     -0.658604      1.823908
  O      -4.495816     -0.430799      1.435494
  C      -4.722590      0.063378      0.192286
  C      -5.637636     -0.592100     -0.621496
  C      -5.944554     -0.075130     -1.897606
  N      -5.422755      1.028283     -2.406740
  C      -4.536738      1.703540     -1.612321
  C      -3.995271      2.921260     -2.083422
  C      -3.140593      3.633005     -1.273953
  C      -2.806777      3.114276      0.001682
  N      -3.264126      1.973774      0.476518
  C      -4.137688      1.273430     -0.300185
  C      -3.744132      5.316906      5.598224
  C      -4.807488      5.520042      4.522965
  C      -4.200641      5.809434      3.152726
  O      -4.985664      5.263562      2.069799
  C      -6.211399      5.752398      1.838884
  C      -6.749811      6.916803      2.374991
  C      -8.033351      7.334370      1.959518
  N      -8.791721      6.721695      1.061464
  C      -8.290865      5.556327      0.547165
  C      -9.056469      4.831802     -0.400460
  C      -8.586523      3.620809     -0.861449
  C      -7.353603      3.130976     -0.365408
  N      -6.587067      3.784291      0.495174
  C      -7.030901      4.993222      0.931495
  C      -6.405347      2.012075      6.144358
  C      -7.154725      3.197954      6.789084
  C      -8.422142      3.533635      6.024266
  O      -8.074278      4.041307      4.708962
  C      -9.009440      3.777241      3.745153
  C     -10.032239      4.663060      3.474927
  C     -10.974037      4.347297      2.468577
  N     -10.947582      3.251142      1.728082
  C      -9.912215      2.387674      1.946559
  C      -9.774190      1.244703      1.121015
  C      -8.701856      0.400884      1.311775
  C      -7.765060      0.698177      2.330784
  N      -7.864400      1.743727      3.135575
  C      -8.909142      2.591180      2.949331
  H      -3.794046     -1.397144      5.152729
  H      -4.666416     -0.320606      4.046410
  H      -2.120429     -1.865764      3.285114
  H      -3.780708     -2.370892      2.925396
  H      -2.602968     -1.194528      1.002985
  H      -2.616666      0.311446      1.982607
  H      -6.110019     -1.507443     -0.267091
  H      -6.658835     -0.611728     -2.532482
  H      -4.293042      3.268055     -3.076337
  H      -2.721155      4.582636     -1.597568
  H      -2.134453      3.672305      0.658180
  H      -3.094196      6.213542      5.648426
  H      -4.278709      5.269921      6.573732
  H      -5.470929      6.336137      4.847698
  H      -5.426473      4.613151      4.430938
  H      -3.238832      5.288933      3.050971
  H      -4.038898      6.890074      2.988272
  H      -6.199235      7.517959      3.097437
  H      -8.446703      8.254252      2.392184
  H     -10.019230      5.242095     -0.715834
  H      -9.168339      3.017317     -1.562615
  H      -6.985071      2.151122     -0.682274
  H      -6.810423      1.069956      6.568116
  H      -6.603814      2.014447      5.059682
  H      -6.497989      4.080295      6.840365
  H      -7.460187      2.962134      7.822324
  H      -9.017454      4.301430      6.547141
  H      -9.050346      2.633346      5.910313
  H     -10.093977      5.609087      4.014557
  H     -11.784356      5.053301      2.263782
  H     -10.501019      1.095074      0.320259
  H      -8.549278     -0.472102      0.675917
  H      -6.879698      0.065593      2.461359
  N      -4.662631      2.479287      3.639461
99
Coordinates from ORCA-job orca E -6428.915429580718
  N      -2.789073      0.412794      4.772605
  Mo     -3.616288      2.252831      4.975956
  N      -4.968395      2.006981      6.364640
  C      -4.520229      1.840301      7.741840
  C      -3.115890      1.229012      7.841395
  N      -2.157626      1.907942      6.953994
  C      -1.071025      1.053953      6.472759
  C      -1.568670      0.005891      5.458544
  C      -1.695796      3.225240      7.419732
  C      -1.647600      4.153982      6.196140
  N      -2.903248      4.111171      5.445126
  H      -0.740725     -0.173057      4.742509
  H      -1.738203     -0.965915      5.966722
  H      -0.343167      1.716204      5.979927
  H      -0.539881      0.556931      7.308073
  H      -1.427051      5.187929      6.511578
  H      -0.799727      3.843731      5.555443
  H      -2.417294      3.610903      8.155152
  H      -0.709535      3.147282      7.918432
  H      -5.216756      1.172052      8.282543
  H      -4.542928      2.810884      8.275440
  H      -3.160144      0.176372      7.529999
  H      -2.782310      1.259267      8.898498
  C      -3.578841     -0.718706      4.290313
  C      -2.996631     -1.477797      3.087533
  C      -2.996929     -0.641957      1.826668
  O      -4.405440     -0.503640      1.431723
  C      -4.677788     -0.037290      0.190389
  C      -5.570831     -0.757790     -0.584203
  C      -5.931753     -0.286357     -1.860670
  N      -5.488439      0.840320     -2.403689
  C      -4.631067      1.582827     -1.645652
  C      -4.181596      2.830759     -2.152617
  C      -3.357040      3.616037     -1.382049
  C      -2.961153      3.137997     -0.110819
  N      -3.332073      1.971498      0.396825
  C      -4.173175      1.197988     -0.340305
  C      -3.722180      5.311066      5.596305
  C      -4.790291      5.513840      4.527019
  C      -4.192560      5.788685      3.151549
  O      -4.990897      5.253804      2.070779
  C      -6.208806      5.770336      1.853011
  C      -6.717583      6.937612      2.414184
  C      -7.990598      7.395471      2.013690
  N      -8.765266      6.819777      1.104985
  C      -8.292947      5.654299      0.562731
  C      -9.075733      4.975070     -0.402580
  C      -8.635261      3.767330     -0.899884
  C      -7.414989      3.235881     -0.423934
  N      -6.632399      3.844933      0.454708
  C      -7.047031      5.051238      0.929300
  C      -6.402745      1.991074      6.144201
  C      -7.159559      3.174664      6.780930
  C      -8.426993      3.505536      6.015884
  O      -8.077040      4.027279      4.706640
  C      -9.006113      3.778695      3.736165
  C     -10.024266      4.673212      3.478746
  C     -10.966034      4.379526      2.468340
  N     -10.940620      3.297733      1.707516
  C      -9.903362      2.431164      1.905517
  C      -9.759074      1.310051      1.048409
  C      -8.678103      0.468760      1.208689
  C      -7.743985      0.742497      2.235726
  N      -7.855058      1.761149      3.076427
  C      -8.903119      2.610649      2.914592
  H      -3.706306     -1.428246      5.134922
  H      -4.585873     -0.364939      4.024917
  H      -1.963691     -1.810192      3.293713
  H      -3.597005     -2.390138      2.913997
  H      -2.457230     -1.149804      1.007544
  H      -2.566236      0.359259      1.988320
  H      -5.980684     -1.693682     -0.199215
  H      -6.625398     -0.878577     -2.465593
  H      -4.525152      3.140546     -3.140733
  H      -3.007893      4.592189     -1.732429
  H      -2.306722      3.753943      0.514212
  H      -3.064056      6.201658      5.635334
  H      -4.252006      5.284046      6.573670
  H      -5.441219      6.337405      4.855448
  H      -5.420027      4.614526      4.447156
  H      -3.238378      5.255184      3.050950
  H      -4.017245      6.865154      2.978827
  H      -6.150630      7.512482      3.145638
  H      -8.377265      8.317438      2.466471
  H     -10.025866      5.418232     -0.704147
  H      -9.230137      3.198584     -1.616236
  H      -7.072279      2.260319     -0.779789
  H      -6.818974      1.047528      6.554354
  H      -6.579944      1.999324      5.055012
  H      -6.508585      4.061550      6.830845
  H      -7.462525      2.942085      7.815546
  H      -9.026900      4.268074      6.542038
  H      -9.051304      2.604651      5.892974
  H     -10.081767      5.609831      4.032469
  H     -11.775539      5.091434      2.279293
  H     -10.486165      1.177341      0.245539
  H      -8.516870     -0.384192      0.543906
  H      -6.850549      0.112546      2.341857
  N      -4.660101      2.426239      3.677811
99
Coordinates from ORCA-job orca E -6428.918421630803
  N      -2.800349      0.397761      4.785394
  Mo     -3.631880      2.230269      4.987394
  N      -4.974330      2.004932      6.392433
  C      -4.529139      1.850528      7.772519
  C      -3.133072      1.226020      7.873841
  N      -2.172940      1.888469      6.981464
  C      -1.094560      1.024831      6.498598
  C      -1.599862     -0.024939      5.492110
  C      -1.708128      3.213875      7.417590
  C      -1.637938      4.120899      6.180341
  N      -2.886016      4.085482      5.414244
  H      -0.769003     -0.228895      4.789495
  H      -1.794385     -0.988141      6.008420
  H      -0.361100      1.678725      6.003268
  H      -0.563703      0.523664      7.332939
  H      -1.403323      5.155563      6.484755
  H      -0.789442      3.792079      5.552426
  H      -2.432388      3.618221      8.139038
  H      -0.726232      3.145901      7.925777
  H      -5.229882      1.194188      8.323053
  H      -4.542672      2.827114      8.297231
  H      -3.189121      0.171625      7.568669
  H      -2.798999      1.256037      8.929991
  C      -3.579560     -0.725657      4.268829
  C      -2.984267     -1.446985      3.051273
  C      -2.986593     -0.578003      1.811130
  O      -4.390902     -0.433034      1.416027
  C      -4.667305      0.063266      0.189113
  C      -5.601967     -0.617345     -0.573817
  C      -5.968352     -0.125455     -1.837466
  N      -5.492873      0.987461     -2.378829
  C      -4.594260      1.691884     -1.631395
  C      -4.108053      2.923315     -2.136940
  C      -3.238622      3.670697     -1.379168
  C      -2.836680      3.173130     -0.121855
  N      -3.243951      2.022619      0.384634
  C      -4.126143      1.282760     -0.339791
  C      -3.683495      5.303278      5.541901
  C      -4.768871      5.492721      4.486919
  C      -4.196588      5.732260      3.092889
  O      -5.012037      5.187037      2.029738
  C      -6.223745      5.709502      1.803403
  C      -6.723892      6.885989      2.343467
  C      -7.993135      7.343827      1.939341
  N      -8.772651      6.759600      1.044895
  C      -8.306023      5.588406      0.517929
  C      -9.093778      4.903305     -0.437080
  C      -8.657501      3.694799     -0.925837
  C      -7.435823      3.169917     -0.454820
  N      -6.649232      3.782344      0.416237
  C      -7.062113      4.987755      0.886765
  C      -6.411626      1.996568      6.179846
  C      -7.154499      3.194537      6.804778
  C      -8.431214      3.513356      6.051700
  O      -8.089980      4.018130      4.733864
  C      -9.023936      3.765855      3.770558
  C     -10.035323      4.666043      3.506444
  C     -10.982787      4.368963      2.500610
  N     -10.965708      3.279377      1.749005
  C      -9.931658      2.410590      1.951914
  C      -9.795181      1.284808      1.104372
  C      -8.715950      0.444293      1.267875
  C      -7.776625      0.720735      2.291236
  N      -7.883415      1.739869      3.126628
  C      -8.928256      2.591487      2.959054
  H      -3.714671     -1.457658      5.092713
  H      -4.581990     -0.368262      4.002051
  H      -1.952508     -1.777023      3.254252
  H      -3.574673     -2.357226      2.853216
  H      -2.448167     -1.058900      0.977966
  H      -2.560775      0.414359      1.997041
  H      -6.037278     -1.540931     -0.188646
  H      -6.692719     -0.687853     -2.434237
  H      -4.458630      3.249016     -3.114462
  H      -2.858576      4.632095     -1.729018
  H      -2.143133      3.756863      0.492144
  H      -3.012103      6.185490      5.544065
  H      -4.194569      5.313071      6.529127
  H      -5.402830      6.329438      4.813138
  H      -5.409447      4.599779      4.441016
  H      -3.250913      5.186604      2.991265
  H      -4.010617      6.801870      2.894123
  H      -6.154124      7.468739      3.062159
  H      -8.371480      8.271005      2.376074
  H     -10.042542      5.345081     -0.738028
  H      -9.255561      3.120851     -1.633643
  H      -7.099827      2.195681     -0.810691
  H      -6.835903      1.061791      6.600494
  H      -6.593655      1.994197      5.093087
  H      -6.501810      4.082230      6.820999
  H      -7.437323      2.986429      7.851103
  H      -9.023583      4.284282      6.574126
  H      -9.058265      2.611644      5.945575
  H     -10.082655      5.609766      4.051603
  H     -11.790470      5.082999      2.308225
  H     -10.527988      1.148295      0.307066
  H      -8.560601     -0.410786      0.609785
  H      -6.883077      0.091294      2.400435
  N      -4.691947      2.367260      3.704269
99
Coordinates from ORCA-job orca E -6428.920956055068
  N      -2.789610      0.393820      4.809106
  Mo     -3.625649      2.217453      5.001549
  N      -4.977690      2.009648      6.403901
  C      -4.553254      1.866393      7.791964
  C      -3.164486      1.230620      7.913390
  N      -2.194754      1.879547      7.024347
  C      -1.114493      1.011094      6.555547
  C      -1.614033     -0.042296      5.550971
  C      -1.734414      3.211105      7.442728
  C      -1.627351      4.096329      6.192926
  N      -2.859078      4.066068      5.398215
  H      -0.770830     -0.270833      4.870436
  H      -1.838836     -0.994979      6.074446
  H      -0.372289      1.658909      6.065771
  H      -0.594402      0.509506      7.396382
  H      -1.385886      5.131873      6.489729
  H      -0.769912      3.749554      5.586337
  H      -2.472658      3.633804      8.139687
  H      -0.763890      3.152129      7.974613
  H      -5.265749      1.221880      8.341446
  H      -4.565593      2.848388      8.306498
  H      -3.227881      0.175008      7.613449
  H      -2.839218      1.261162      8.972784
  C      -3.551194     -0.725154      4.254066
  C      -2.921706     -1.410751      3.032235
  C      -2.943894     -0.523381      1.804248
  O      -4.349698     -0.421917      1.400090
  C      -4.643950      0.072869      0.176945
  C      -5.597062     -0.605559     -0.568592
  C      -5.983797     -0.116419     -1.828023
  N      -5.511829      0.992313     -2.381091
  C      -4.596210      1.693977     -1.650663
  C      -4.113071      2.920759     -2.167332
  C      -3.222826      3.663668     -1.427607
  C      -2.797837      3.166244     -0.176425
  N      -3.205587      2.022637      0.341485
  C      -4.105957      1.286964     -0.365097
  C      -3.638960      5.298360      5.496438
  C      -4.728522      5.474941      4.444198
  C      -4.165614      5.679504      3.040303
  O      -5.008400      5.141222      1.996800
  C      -6.216954      5.682751      1.791693
  C      -6.703032      6.855553      2.361375
  C      -7.982074      7.326365      1.994654
  N      -8.786068      6.755708      1.111942
  C      -8.330698      5.592031      0.551335
  C      -9.144674      4.925411     -0.396210
  C      -8.712896      3.730021     -0.927575
  C      -7.470264      3.198394     -0.504371
  N      -6.664342      3.790838      0.362312
  C      -7.073437      4.982924      0.875600
  C      -6.416339      2.008316      6.187213
  C      -7.155577      3.214452      6.800507
  C      -8.442888      3.516124      6.056909
  O      -8.115127      4.016217      4.733831
  C      -9.053860      3.759554      3.774519
  C     -10.077087      4.651415      3.516751
  C     -11.022073      4.350921      2.508817
  N     -10.992051      3.265220      1.750639
  C      -9.949016      2.403769      1.950138
  C      -9.802123      1.280528      1.099919
  C      -8.713840      0.448172      1.261736
  C      -7.777691      0.728569      2.287747
  N      -7.894982      1.743503      3.126890
  C      -8.947292      2.588740      2.959326
  H      -3.694614     -1.476041      5.058400
  H      -4.550829     -0.371932      3.973578
  H      -1.882500     -1.713161      3.240446
  H      -3.483255     -2.335016      2.814309
  H      -2.384347     -0.972638      0.967461
  H      -2.552692      0.480640      2.008162
  H      -6.029413     -1.524946     -0.172028
  H      -6.722155     -0.676405     -2.411874
  H      -4.482308      3.246955     -3.139932
  H      -2.843207      4.620177     -1.786868
  H      -2.085360      3.743556      0.422484
  H      -2.956300      6.171758      5.466905
  H      -4.141215      5.343197      6.487956
  H      -5.347579      6.327966      4.757124
  H      -5.381832      4.589699      4.425649
  H      -3.232934      5.110828      2.933881
  H      -3.959574      6.742618      2.824898
  H      -6.118095      7.424336      3.080525
  H      -8.352619      8.248487      2.459667
  H     -10.106765      5.373446     -0.660389
  H      -9.326869      3.172245     -1.636010
  H      -7.134333      2.235697     -0.900371
  H      -6.847964      1.079885      6.613608
  H      -6.596312      1.998315      5.101435
  H      -6.506946      4.105503      6.788092
  H      -7.420487      3.024924      7.854700
  H      -9.036774      4.285966      6.579576
  H      -9.063663      2.608277      5.961434
  H     -10.135617      5.589623      4.069622
  H     -11.839709      5.056020      2.320106
  H     -10.537162      1.137072      0.305784
  H      -8.551240     -0.405035      0.602422
  H      -6.881159      0.104581      2.401625
  N      -4.669166      2.331154      3.708483
99
Coordinates from ORCA-job orca E -6428.923162594647
  N      -2.754970      0.390915      4.841556
  Mo     -3.613738      2.194303      5.031187
  N      -4.972061      1.986290      6.428571
  C      -4.568397      1.853217      7.824623
  C      -3.180622      1.220787      7.964618
  N      -2.210003      1.868791      7.079469
  C      -1.117999      1.010647      6.621372
  C      -1.599828     -0.048092      5.615249
  C      -1.766802      3.209773      7.483480
  C      -1.632546      4.075503      6.224675
  N      -2.845761      4.037273      5.402583
  H      -0.743360     -0.290370      4.955885
  H      -1.845079     -0.993310      6.142051
  H      -0.375401      1.662604      6.138857
  H      -0.603069      0.512075      7.466733
  H      -1.395382      5.112711      6.516946
  H      -0.764726      3.721930      5.638622
  H      -2.522490      3.641833      8.155175
  H      -0.807809      3.169632      8.039066
  H      -5.287285      1.213044      8.369382
  H      -4.588632      2.838395      8.331484
  H      -3.241105      0.164548      7.666227
  H      -2.862508      1.252536      9.026880
  C      -3.484295     -0.732891      4.247364
  C      -2.818640     -1.364247      3.014786
  C      -2.892203     -0.452863      1.806029
  O      -4.303689     -0.422039      1.409794
  C      -4.640824      0.064534      0.193528
  C      -5.608710     -0.629780     -0.522795
  C      -6.040374     -0.149945     -1.775892
  N      -5.599271      0.964282     -2.349447
  C      -4.671126      1.680568     -1.647646
  C      -4.219802      2.913091     -2.184713
  C      -3.313629      3.669086     -1.474864
  C      -2.841374      3.178297     -0.231244
  N      -3.221574      2.031286      0.306793
  C      -4.135051      1.283555     -0.371049
  C      -3.616834      5.274912      5.476815
  C      -4.715783      5.440107      4.431781
  C      -4.169458      5.618796      3.018625
  O      -5.039495      5.093946      1.992681
  C      -6.228796      5.673062      1.784710
  C      -6.674923      6.861011      2.348371
  C      -7.937038      7.366989      1.979459
  N      -8.758874      6.816760      1.097218
  C      -8.339258      5.643319      0.536094
  C      -9.167139      5.002519     -0.418461
  C      -8.765449      3.801733     -0.956750
  C      -7.541218      3.240386     -0.533404
  N      -6.725639      3.806293      0.341071
  C      -7.102990      5.001234      0.863029
  C      -6.410741      1.986453      6.201878
  C      -7.150891      3.201085      6.796230
  C      -8.434446      3.496394      6.045149
  O      -8.099598      3.990040      4.724223
  C      -9.033807      3.742870      3.759113
  C     -10.044294      4.644657      3.497229
  C     -10.980007      4.357514      2.479555
  N     -10.952461      3.276720      1.715312
  C      -9.923860      2.405786      1.919508
  C      -9.783155      1.287785      1.064210
  C      -8.709465      0.446711      1.231205
  C      -7.781596      0.711438      2.268221
  N      -7.894297      1.719580      3.113445
  C      -8.931586      2.575731      2.939516
  H      -3.616061     -1.509330      5.027679
  H      -4.490054     -0.397853      3.962168
  H      -1.764874     -1.619371      3.218196
  H      -3.334920     -2.311682      2.776147
  H      -2.312279     -0.853937      0.958542
  H      -2.553982      0.569224      2.029105
  H      -6.015988     -1.553438     -0.107715
  H      -6.790068     -0.721110     -2.337995
  H      -4.625277      3.234009     -3.150217
  H      -2.956849      4.629996     -1.851310
  H      -2.113801      3.763147      0.343552
  H      -2.929046      6.141994      5.417900
  H      -4.105300      5.346604      6.472550
  H      -5.320873      6.305917      4.736733
  H      -5.378137      4.561947      4.437333
  H      -3.250847      5.028203      2.902976
  H      -3.944027      6.676257      2.793239
  H      -6.071439      7.415844      3.065232
  H      -8.277798      8.300793      2.440481
  H     -10.112187      5.476120     -0.684129
  H      -9.386911      3.262959     -1.674175
  H      -7.227167      2.277114     -0.940788
  H      -6.850667      1.063678      6.632059
  H      -6.582148      1.968604      5.114075
  H      -6.502112      4.091808      6.763866
  H      -7.411801      3.029502      7.853489
  H      -9.029221      4.269235      6.561508
  H      -9.054135      2.588307      5.949802
  H     -10.098420      5.580588      4.054208
  H     -11.787106      5.068537      2.284817
  H     -10.514806      1.153642      0.265002
  H      -8.552404     -0.402626      0.567786
  H      -6.896963      0.080217      2.390214
  N      -4.646542      2.282998      3.721063
99
Coordinates from ORCA-job orca E -6428.925438633925
  N      -2.749210      0.383299      4.862277
  Mo     -3.620245      2.175168      5.055729
  N      -4.982813      1.981728      6.454606
  C      -4.591049      1.854722      7.854803
  C      -3.208507      1.214248      8.007206
  N      -2.232359      1.853180      7.123793
  C      -1.139922      0.993360      6.671091
  C      -1.617295     -0.064834      5.664866
  C      -1.791972      3.199078      7.511594
  C      -1.628898      4.043680      6.242525
  N      -2.828398      4.009228      5.400095
  H      -0.751423     -0.324946      5.025377
  H      -1.887493     -1.001876      6.193895
  H      -0.394026      1.643015      6.191525
  H      -0.629438      0.493751      7.518518
  H      -1.385434      5.082535      6.525871
  H      -0.755867      3.674598      5.674540
  H      -2.558300      3.645656      8.161387
  H      -0.843744      3.167944      8.086034
  H      -5.319811      1.223728      8.397198
  H      -4.607955      2.842931      8.355614
  H      -3.274796      0.157417      7.710838
  H      -2.894885      1.245326      9.070723
  C      -3.445577     -0.739259      4.225305
  C      -2.743371     -1.318685      2.988520
  C      -2.841386     -0.387587      1.797615
  O      -4.247599     -0.417501      1.387030
  C      -4.606564      0.057577      0.175140
  C      -5.563424     -0.665425     -0.526323
  C      -6.010995     -0.212365     -1.780812
  N      -5.596262      0.900926     -2.372181
  C      -4.681646      1.645970     -1.685439
  C      -4.254379      2.875854     -2.242857
  C      -3.360842      3.660550     -1.550387
  C      -2.878416      3.202368     -0.302361
  N      -3.235378      2.058475      0.254554
  C      -4.133362      1.280539     -0.407025
  C      -3.579349      5.261043      5.453032
  C      -4.692708      5.419101      4.423146
  C      -4.163745      5.570033      3.000426
  O      -5.055155      5.052231      1.990831
  C      -6.235352      5.651098      1.785753
  C      -6.665034      6.842972      2.356033
  C      -7.924571      7.364209      1.997941
  N      -8.757829      6.827022      1.118267
  C      -8.350786      5.654821      0.543010
  C      -9.187130      5.031422     -0.416251
  C      -8.793439      3.837236     -0.976513
  C      -7.567392      3.264488     -0.571825
  N      -6.747422      3.812227      0.309926
  C      -7.118085      4.999240      0.856423
  C      -6.420084      1.995048      6.220945
  C      -7.147605      3.221102      6.805684
  C      -8.437605      3.510551      6.062536
  O      -8.109191      3.999618      4.737539
  C      -9.049679      3.754396      3.776533
  C     -10.068975      4.651667      3.526193
  C     -11.009809      4.365132      2.511275
  N     -10.977587      3.290738      1.737769
  C      -9.939542      2.424624      1.930307
  C      -9.789485      1.313430      1.063324
  C      -8.703712      0.479074      1.217070
  C      -7.776920      0.740530      2.255893
  N      -7.898574      1.740600      3.112513
  C      -8.944131      2.592986      2.948468
  H      -3.571885     -1.537950      4.982809
  H      -4.453240     -0.418912      3.930871
  H      -1.683375     -1.534428      3.199778
  H      -3.217142     -2.280422      2.723326
  H      -2.235400     -0.744807      0.949291
  H      -2.551475      0.642209      2.043197
  H      -5.945587     -1.593043     -0.098590
  H      -6.748197     -0.807401     -2.331066
  H      -4.666584      3.170829     -3.210127
  H      -3.022753      4.619757     -1.943270
  H      -2.161065      3.809790      0.258651
  H      -2.879418      6.116484      5.361425
  H      -4.049641      5.364611      6.454583
  H      -5.282421      6.297033      4.723566
  H      -5.366123      4.550282      4.453163
  H      -3.258590      4.961401      2.879490
  H      -3.920906      6.620329      2.761200
  H      -6.052000      7.388594      3.071404
  H      -8.252168      8.299516      2.465352
  H     -10.130577      5.514897     -0.669816
  H      -9.420367      3.313386     -1.700626
  H      -7.253214      2.310485     -1.003635
  H      -6.871474      1.078730      6.653772
  H      -6.587276      1.973867      5.132961
  H      -6.495863      4.108374      6.749786
  H      -7.394967      3.068089      7.868751
  H      -9.031618      4.283633      6.580143
  H      -9.055732      2.601021      5.973666
  H     -10.125809      5.583500      4.090311
  H     -11.824574      5.071771      2.325613
  H     -10.522604      1.179061      0.265441
  H      -8.537146     -0.363592      0.542532
  H      -6.883838      0.113779      2.370126
  N      -4.650483      2.257818      3.743551
99
Coordinates from ORCA-job orca E -6428.927476685394
  N      -2.729793      0.372233      4.889658
  Mo     -3.617224      2.152488      5.082842
  N      -4.990436      1.971542      6.476578
  C      -4.614270      1.851998      7.881740
  C      -3.235018      1.209294      8.051855
  N      -2.251775      1.841038      7.171703
  C      -1.155241      0.979406      6.731954
  C      -1.623295     -0.081249      5.726194
  C      -1.818834      3.192924      7.546296
  C      -1.624537      4.016263      6.267262
  N      -2.807993      3.979774      5.400797
  H      -0.745593     -0.359988      5.110714
  H      -1.920380     -1.008591      6.258011
  H      -0.404908      1.626483      6.255817
  H      -0.652240      0.482323      7.585541
  H      -1.379495      5.057380      6.540481
  H      -0.743060      3.633122      5.722090
  H      -2.600282      3.651881      8.168938
  H      -0.884859      3.172013      8.144759
  H      -5.352560      1.227651      8.418948
  H      -4.632896      2.843205      8.376287
  H      -3.302060      0.151299      7.759121
  H      -2.929187      1.243656      9.117597
  C      -3.390307     -0.747781      4.209492
  C      -2.658856     -1.268245      2.964372
  C      -2.794543     -0.315329      1.793645
  O      -4.194452     -0.399884      1.376623
  C      -4.578466      0.067936      0.171711
  C      -5.538745     -0.671963     -0.507495
  C      -6.014883     -0.234044     -1.755224
  N      -5.625577      0.878756     -2.363480
  C      -4.707239      1.639962     -1.700106
  C      -4.306678      2.870458     -2.275816
  C      -3.412918      3.673778     -1.606974
  C      -2.904530      3.234988     -0.362980
  N      -3.236149      2.091403      0.211020
  C      -4.132913      1.293212     -0.428207
  C      -3.544027      5.242826      5.423351
  C      -4.667034      5.384183      4.401975
  C      -4.151981      5.502050      2.970505
  O      -5.063247      4.989204      1.976345
  C      -6.231445      5.610404      1.770798
  C      -6.642244      6.806269      2.349126
  C      -7.898973      7.345226      2.004384
  N      -8.747107      6.822949      1.131195
  C      -8.355944      5.651996      0.541279
  C      -9.207474      5.047824     -0.416800
  C      -8.828581      3.859167     -0.998787
  C      -7.600152      3.271558     -0.617188
  N      -6.768269      3.799200      0.266859
  C      -7.126052      4.980138      0.836278
  C      -6.425615      1.996338      6.230448
  C      -7.144548      3.232623      6.802967
  C      -8.435865      3.518526      6.061219
  O      -8.107070      4.003974      4.735090
  C      -9.053371      3.765138      3.779085
  C     -10.077742      4.660605      3.544799
  C     -11.024881      4.380236      2.534097
  N     -10.995522      3.312939      1.751342
  C      -9.953958      2.447498      1.930123
  C      -9.810806      1.340618      1.058104
  C      -8.723975      0.505328      1.200392
  C      -7.789451      0.760787      2.232930
  N      -7.904838      1.756114      3.094669
  C      -8.951398      2.610106      2.941738
  H      -3.506476     -1.571297      4.941173
  H      -4.400539     -0.442057      3.910842
  H      -1.591644     -1.439305      3.176931
  H      -3.086447     -2.243307      2.675224
  H      -2.168702     -0.622655      0.940867
  H      -2.553166      0.718815      2.062906
  H      -5.900596     -1.601627     -0.066550
  H      -6.754692     -0.842085     -2.286642
  H      -4.739614      3.150687     -3.237448
  H      -3.095865      4.634650     -2.015002
  H      -2.186606      3.857912      0.179499
  H      -2.835719      6.087422      5.299322
  H      -4.000491      5.379589      6.427313
  H      -5.246753      6.272381      4.689146
  H      -5.346537      4.522714      4.458112
  H      -3.260961      4.874701      2.848470
  H      -3.890801      6.544252      2.715227
  H      -6.018387      7.339835      3.063226
  H      -8.212309      8.281326      2.481081
  H     -10.151469      5.542512     -0.653525
  H      -9.467351      3.351481     -1.724308
  H      -7.295267      2.323338     -1.067702
  H      -6.888660      1.086857      6.665761
  H      -6.585292      1.969819      5.141626
  H      -6.488888      4.115728      6.730115
  H      -7.385843      3.096102      7.869626
  H      -9.031281      4.291475      6.577807
  H      -9.052390      2.607771      5.974279
  H     -10.134800      5.585598      4.118984
  H     -11.844305      5.085760      2.360833
  H     -10.551399      1.208637      0.267624
  H      -8.563116     -0.333559      0.522855
  H      -6.895563      0.131948      2.338839
  N      -4.631758      2.231068      3.760160
99
Coordinates from ORCA-job orca E -6428.929452377052
  N      -2.716139      0.355376      4.915649
  Mo     -3.620335      2.125224      5.110507
  N      -5.000748      1.958723      6.502809
  C      -4.633022      1.848660      7.911092
  C      -3.255793      1.205534      8.092491
  N      -2.269326      1.829053      7.209708
  C      -1.170551      0.962808      6.782281
  C      -1.633879     -0.101936      5.781483
  C      -1.840047      3.186302      7.569898
  C      -1.620331      3.988054      6.281366
  N      -2.792290      3.946539      5.399420
  H      -0.748598     -0.400898      5.187678
  H      -1.957053     -1.017716      6.317738
  H      -0.417076      1.605121      6.305060
  H      -0.673229      0.470742      7.642097
  H      -1.372677      5.031712      6.542126
  H      -0.734392      3.591030      5.755268
  H      -2.633488      3.657293      8.167251
  H      -0.919244      3.174091      8.188059
  H      -5.377618      1.230652      8.447037
  H      -4.651457      2.843463      8.398607
  H      -3.324124      0.145673      7.806469
  H      -2.952322      1.246758      9.157943
  C      -3.336445     -0.761286      4.193941
  C      -2.576462     -1.215025      2.939848
  C      -2.756325     -0.240830      1.791457
  O      -4.146957     -0.383297      1.368311
  C      -4.557853      0.080565      0.172362
  C      -5.526614     -0.669699     -0.484598
  C      -6.033086     -0.240270     -1.721829
  N      -5.665624      0.871700     -2.343441
  C      -4.737721      1.641964     -1.703437
  C      -4.356972      2.870690     -2.294784
  C      -3.456476      3.684026     -1.648568
  C      -2.922280      3.258466     -0.410971
  N      -3.233764      2.116886      0.176482
  C      -4.136104      1.306989     -0.441394
  C      -3.510707      5.221424      5.392581
  C      -4.647962      5.349604      4.385146
  C      -4.152351      5.430845      2.943518
  O      -5.088943      4.925078      1.968656
  C      -6.242245      5.572050      1.759657
  C      -6.629819      6.775843      2.337711
  C      -7.877606      7.336851      1.996377
  N      -8.736640      6.831205      1.125376
  C      -8.364904      5.657540      0.529045
  C      -9.224615      5.074405     -0.433730
  C      -8.863108      3.887544     -1.029144
  C      -7.643761      3.278852     -0.655077
  N      -6.805736      3.785014      0.236243
  C      -7.146671      4.963994      0.819011
  C      -6.434060      1.995941      6.248819
  C      -7.142938      3.244550      6.807166
  C      -8.435510      3.528406      6.065744
  O      -8.104143      4.007134      4.737438
  C      -9.054137      3.771181      3.784084
  C     -10.082345      4.664308      3.557624
  C     -11.029041      4.387317      2.545634
  N     -10.995852      3.326223      1.754332
  C      -9.952055      2.461774      1.927008
  C      -9.806044      1.359622      1.047453
  C      -8.718534      0.523918      1.185707
  C      -7.787269      0.773692      2.222440
  N      -7.904321      1.765849      3.089887
  C      -8.950775      2.620663      2.939937
  H      -3.435089     -1.610759      4.897290
  H      -4.351638     -0.474516      3.893645
  H      -1.502770     -1.334547      3.154135
  H      -2.951588     -2.202539      2.624817
  H      -2.110881     -0.491199      0.935131
  H      -2.568588      0.796548      2.088314
  H      -5.871722     -1.600401     -0.033165
  H      -6.780535     -0.855459     -2.233827
  H      -4.810897      3.141317     -3.249088
  H      -3.155105      4.643867     -2.069481
  H      -2.200215      3.890979      0.114359
  H      -2.792166      6.051768      5.232441
  H      -3.947502      5.393377      6.399531
  H      -5.214456      6.250662      4.660047
  H      -5.336070      4.497440      4.470049
  H      -3.278364      4.780290      2.817423
  H      -3.869492      6.463038      2.670071
  H      -5.995538      7.297423      3.050549
  H      -8.173362      8.277091      2.475557
  H     -10.160508      5.584730     -0.666189
  H      -9.507579      3.398207     -1.760655
  H      -7.349087      2.333195     -1.116992
  H      -6.908555      1.095164      6.689691
  H      -6.588714      1.961192      5.160272
  H      -6.481885      4.121810      6.716645
  H      -7.378832      3.126062      7.877249
  H      -9.031837      4.302614      6.579257
  H      -9.051571      2.616670      5.981970
  H     -10.142848      5.585423      4.138398
  H     -11.850474      5.091794      2.377663
  H     -10.546067      1.229987      0.255605
  H      -8.554834     -0.311536      0.502540
  H      -6.896650      0.141731      2.328655
  N      -4.623514      2.204312      3.778791
99
Coordinates from ORCA-job orca E -6428.931386691130
  N      -2.694534      0.334433      4.945204
  Mo     -3.620575      2.093215      5.138633
  N      -5.011954      1.937778      6.524460
  C      -4.654608      1.837677      7.935944
  C      -3.277637      1.198590      8.130424
  N      -2.286976      1.816786      7.247340
  C      -1.183088      0.947723      6.837166
  C      -1.637116     -0.123068      5.841159
  C      -1.865208      3.179238      7.596357
  C      -1.621269      3.962317      6.301298
  N      -2.780222      3.911313      5.402303
  H      -0.743444     -0.440451      5.270250
  H      -1.984564     -1.027760      6.380845
  H      -0.426210      1.586327      6.360558
  H      -0.693411      0.462873      7.705296
  H      -1.375207      5.008450      6.551142
  H      -0.728617      3.555848      5.795394
  H      -2.672937      3.657969      8.167258
  H      -0.959054      3.176720      8.235606
  H      -5.403359      1.222999      8.469927
  H      -4.676989      2.835575      8.417018
  H      -3.342789      0.136651      7.851579
  H      -2.979301      1.248647      9.196693
  C      -3.267178     -0.779137      4.181240
  C      -2.478381     -1.154098      2.918233
  C      -2.712195     -0.157866      1.797619
  O      -4.091459     -0.365159      1.370782
  C      -4.536354      0.090895      0.184791
  C      -5.509773     -0.677617     -0.444515
  C      -6.053253     -0.262562     -1.669750
  N      -5.717139      0.850480     -2.307724
  C      -4.783326      1.636895     -1.696500
  C      -4.431685      2.864959     -2.307912
  C      -3.527293      3.695537     -1.689650
  C      -2.960884      3.288592     -0.460019
  N      -3.242907      2.147961      0.143848
  C      -4.147786      1.319685     -0.446842
  C      -3.482984      5.195064      5.362306
  C      -4.630424      5.311010      4.365005
  C      -4.150932      5.359902      2.916514
  O      -5.110285      4.865521      1.957555
  C      -6.245925      5.541567      1.745359
  C      -6.605640      6.753360      2.323960
  C      -7.842848      7.340435      1.988154
  N      -8.715852      6.854066      1.121020
  C      -8.368202      5.676752      0.518249
  C      -9.241617      5.115945     -0.444697
  C      -8.902709      3.929318     -1.052683
  C      -7.691559      3.297727     -0.690036
  N      -6.843210      3.780323      0.205439
  C      -7.162576      4.958543      0.800582
  C      -6.442965      1.987310      6.258949
  C      -7.141457      3.248126      6.802459
  C      -8.430892      3.534781      6.056779
  O      -8.091138      4.005488      4.727486
  C      -9.043711      3.776952      3.774993
  C     -10.072461      4.670973      3.557153
  C     -11.021611      4.399673      2.545957
  N     -10.991456      3.343226      1.748667
  C      -9.949045      2.476878      1.914953
  C      -9.810545      1.377149      1.033158
  C      -8.726977      0.536994      1.168035
  C      -7.792014      0.780908      2.202664
  N      -7.901130      1.772157      3.070914
  C      -8.944676      2.630321      2.925227
  H      -3.340477     -1.656242      4.852609
  H      -4.289622     -0.518832      3.880193
  H      -1.400041     -1.214270      3.134479
  H      -2.793108     -2.152505      2.572955
  H      -2.050761     -0.342308      0.937244
  H      -2.584376      0.879673      2.126506
  H      -5.830273     -1.610730      0.020217
  H      -6.805636     -0.891216     -2.157971
  H      -4.911073      3.120951     -3.253744
  H      -3.248415      4.655091     -2.126467
  H      -2.237141      3.936565      0.044616
  H      -2.755014      6.009887      5.169633
  H      -3.903393      5.401472      6.369251
  H      -5.185357      6.222896      4.626825
  H      -5.325488      4.467842      4.474672
  H      -3.294545      4.686733      2.787862
  H      -3.846959      6.381528      2.627301
  H      -5.958410      7.260114      3.035348
  H      -8.117484      8.284941      2.470830
  H     -10.170211      5.643190     -0.669540
  H      -9.558935      3.457941     -1.785754
  H      -7.410651      2.353287     -1.162725
  H      -6.931207      1.095417      6.702996
  H      -6.589735      1.946039      5.169772
  H      -6.472685      4.118026      6.699582
  H      -7.376864      3.145821      7.874273
  H      -9.026702      4.312332      6.565091
  H      -9.049561      2.624685      5.973609
  H     -10.132808      5.588307      4.144264
  H     -11.842858      5.105390      2.384771
  H     -10.553135      1.251891      0.243078
  H      -8.568314     -0.296952      0.483685
  H      -6.904395      0.144297      2.305566
  N      -4.608286      2.169555      3.794152
99
Coordinates from ORCA-job orca E -6428.933151402783
  N      -2.672032      0.312036      4.973346
  Mo     -3.622367      2.059268      5.164238
  N      -5.023672      1.911826      6.543189
  C      -4.674837      1.821717      7.957299
  C      -3.296802      1.189318      8.162651
  N      -2.304105      1.804174      7.278758
  C      -1.193786      0.934448      6.886466
  C      -1.637951     -0.144111      5.896639
  C      -1.890903      3.171421      7.618286
  C      -1.626916      3.938931      6.318964
  N      -2.774186      3.876378      5.405153
  H      -0.737280     -0.478628      5.346626
  H      -2.006202     -1.038330      6.440053
  H      -0.434790      1.570511      6.410047
  H      -0.710888      0.458291      7.763041
  H      -1.384084      4.987505      6.559795
  H      -0.727584      3.526628      5.830184
  H      -2.712259      3.654929      8.165157
  H      -0.998354      3.179033      8.276348
  H      -5.424375      1.207777      8.490936
  H      -4.703237      2.822193      8.432753
  H      -3.356670      0.125159      7.891519
  H      -3.002844      1.249284      9.229624
  C      -3.192647     -0.797898      4.168571
  C      -2.376469     -1.088305      2.899921
  C      -2.667944     -0.074217      1.808417
  O      -4.032784     -0.348234      1.378138
  C      -4.514018      0.097619      0.203367
  C      -5.493016     -0.689421     -0.394895
  C      -6.077910     -0.288763     -1.605347
  N      -5.775900      0.825574     -2.259207
  C      -4.835085      1.627546     -1.679810
  C      -4.515984      2.855436     -2.310464
  C      -3.607353      3.703547     -1.722261
  C      -3.004589      3.314542     -0.503526
  N      -3.253860      2.174352      0.115415
  C      -4.161294      1.328131     -0.445897
  C      -3.461660      5.167036      5.330619
  C      -4.619136      5.270061      4.344007
  C      -4.157235      5.285836      2.888978
  O      -5.139699      4.803998      1.947085
  C      -6.255801      5.510078      1.730596
  C      -6.585730      6.730384      2.308278
  C      -7.808653      7.346479      1.973784
  N      -8.692673      6.881385      1.106014
  C      -8.370470      5.699089      0.498592
  C      -9.252688      5.163118     -0.469839
  C      -8.936308      3.975307     -1.087859
  C      -7.739854      3.316996     -0.728354
  N      -6.885834      3.773835      0.175405
  C      -7.182255      4.953106      0.779944
  C      -6.453043      1.972798      6.269581
  C      -7.140047      3.244612      6.802239
  C      -8.426997      3.536966      6.054537
  O      -8.078724      4.001668      4.725080
  C      -9.032951      3.784801      3.771866
  C     -10.059968      4.682367      3.560988
  C     -11.008252      4.420609      2.546958
  N     -10.978627      3.370522      1.741124
  C      -9.938780      2.500335      1.902032
  C      -9.802274      1.406037      1.012727
  C      -8.722526      0.560359      1.144522
  C      -7.789646      0.794273      2.183262
  N      -7.896296      1.781225      3.057430
  C      -8.936102      2.644014      2.914697
  H      -3.235287     -1.700909      4.806717
  H      -4.222514     -0.570220      3.865802
  H      -1.297401     -1.085818      3.121308
  H      -2.626656     -2.093461      2.522613
  H      -1.996077     -0.190048      0.945111
  H      -2.601820      0.958430      2.169973
  H      -5.787197     -1.624093      0.083842
  H      -6.836412     -0.930439     -2.067149
  H      -5.024210      3.097495     -3.245543
  H      -3.353594      4.663467     -2.173959
  H      -2.279508      3.977967     -0.020421
  H      -2.725291      5.965138      5.104562
  H      -3.865646      5.409153      6.336182
  H      -5.162256      6.192223      4.592774
  H      -5.320220      4.436289      4.480128
  H      -3.319555      4.589850      2.758062
  H      -3.832336      6.295621      2.581867
  H      -5.926507      7.221098      3.020026
  H      -8.061027      8.295988      2.458521
  H     -10.169202      5.710303     -0.693102
  H      -9.599778      3.523965     -1.826424
  H      -7.473990      2.372254     -1.209689
  H      -6.953760      1.089248      6.716130
  H      -6.594337      1.926957      5.179781
  H      -6.463258      4.107086      6.688828
  H      -7.373795      3.155551      7.875496
  H      -9.020756      4.318194      6.559559
  H      -9.049649      2.629668      5.970651
  H     -10.120373      5.594936      4.155050
  H     -11.827661      5.129486      2.390916
  H     -10.543327      1.288303      0.220214
  H      -8.564815     -0.270186      0.454863
  H      -6.906549      0.151795      2.284860
  N      -4.595474      2.127453      3.809425
99
Coordinates from ORCA-job orca E -6428.934692425948
  N      -2.667575      0.290530      4.993448
  Mo     -3.634941      2.029728      5.186561
  N      -5.038905      1.891633      6.565086
  C      -4.690973      1.809982      7.979658
  C      -3.312518      1.180762      8.187809
  N      -2.321162      1.790203      7.298483
  C      -1.209387      0.916618      6.918436
  C      -1.654012     -0.168687      5.937684
  C      -1.910956      3.160298      7.629532
  C      -1.634783      3.915950      6.326928
  N      -2.775687      3.845625      5.405150
  H      -0.751314     -0.523265      5.403186
  H      -2.041739     -1.051243      6.486840
  H      -0.448845      1.547533      6.437990
  H      -0.730100      0.448109      7.800984
  H      -1.392387      4.966302      6.560389
  H      -0.732181      3.499015      5.847775
  H      -2.740657      3.648146      8.160079
  H      -1.027563      3.174547      8.299506
  H      -5.438865      1.197113      8.517092
  H      -4.721439      2.812647      8.450538
  H      -3.371135      0.114550      7.924882
  H      -3.017352      1.249774      9.253751
  C      -3.143642     -0.810459      4.149921
  C      -2.308418     -1.027540      2.878593
  C      -2.643045     -0.002942      1.808855
  O      -3.992626     -0.326988      1.367391
  C      -4.492531      0.115805      0.200501
  C      -5.474023     -0.679451     -0.382417
  C      -6.079180     -0.283947     -1.583254
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  C      -4.541429      2.865140     -2.319772
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  C      -3.012489      3.339770     -0.534055
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  O      -5.162438      4.758613      1.931315
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  C      -7.785098      7.348730      1.945325
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  C      -8.966045      3.989731     -1.109049
  C      -7.773874      3.318804     -0.755854
  N      -6.913857      3.763226      0.148465
  C      -7.196192      4.944111      0.756531
  C      -6.467570      1.967761      6.292506
  C      -7.137193      3.253215      6.814343
  C      -8.422505      3.552410      6.066310
  O      -8.068729      4.004529      4.733824
  C      -9.024974      3.791922      3.780855
  C     -10.049436      4.692328      3.569338
  C     -10.996656      4.433266      2.553478
  N     -10.969811      3.382637      1.748236
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  H      -2.700510      5.924436      5.042452
  H      -3.835610      5.419060      6.300708
  H      -5.146679      6.164977      4.559277
  H      -5.315882      4.408849      4.477373
  H      -3.341171      4.514564      2.729165
  H      -3.821459      6.228671      2.541703
  H      -5.902616      7.197848      2.987532
  H      -8.022284      8.302886      2.427970
  H     -10.180459      5.736792     -0.706873
  H      -9.637517      3.547314     -1.846337
  H      -7.515532      2.373875     -1.242062
  H      -6.980029      1.094475      6.745703
  H      -6.609385      1.916027      5.203320
  H      -6.450317      4.105843      6.687400
  H      -7.366767      3.179812      7.889688
  H      -9.010134      4.341273      6.566073
  H      -9.052251      2.649552      5.986800
  H     -10.109361      5.604898      4.163797
  H     -11.812886      5.144689      2.396299
  H     -10.546664      1.295007      0.234214
  H      -8.581663     -0.275208      0.480691
  H      -6.922285      0.143095      2.310178
  N      -4.606108      2.091625      3.827286
99
Coordinates from ORCA-job orca E -6428.936072201595
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  Mo     -3.639749      1.998270      5.207604
  N      -5.049657      1.866438      6.581569
  C      -4.708897      1.794949      7.998536
  C      -3.329876      1.170354      8.216242
  N      -2.338158      1.774479      7.323364
  C      -1.221593      0.900267      6.957808
  C      -1.662024     -0.192182      5.984541
  C      -1.934238      3.148673      7.645633
  C      -1.644556      3.893357      6.340251
  N      -2.776129      3.813439      5.406606
  H      -0.755883     -0.566503      5.468695
  H      -2.070431     -1.062754      6.538104
  H      -0.459443      1.527868      6.475518
  H      -0.747138      0.439671      7.847172
  H      -1.406230      4.945655      6.568571
  H      -0.736335      3.474917      5.872264
  H      -2.773162      3.639877      8.158809
  H      -1.060708      3.172387      8.328579
  H      -5.456473      1.182578      8.537246
  H      -4.745542      2.800146      8.463485
  H      -3.385746      0.101827      7.962546
  H      -3.037067      1.249087      9.282547
  C      -3.079901     -0.820720      4.134718
  C      -2.226319     -0.963937      2.864460
  C      -2.602649      0.067743      1.814979
  O      -3.936560     -0.302975      1.367140
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  C      -5.451596     -0.675321     -0.348306
  C      -6.089784     -0.289774     -1.536097
  N      -5.831606      0.826929     -2.206141
  C      -4.882446      1.645606     -1.667624
  C      -4.601957      2.872280     -2.319610
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  C      -3.040771      3.373121     -0.567674
  N      -3.250317      2.233387      0.067116
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  C      -3.430404      5.115680      5.263083
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  C      -7.813726      3.318944     -0.786869
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  C      -6.478064      1.956671      6.307823
  C      -7.132118      3.254821      6.819210
  C      -8.417422      3.560480      6.073383
  O      -8.061469      4.005490      4.739036
  C      -9.021100      3.804032      3.787341
  C     -10.043922      4.708201      3.581605
  C     -10.993184      4.455977      2.565434
  N     -10.968860      3.408879      1.755276
  C      -9.935352      2.530672      1.914516
  C      -9.807594      1.434946      1.025810
  C      -8.734800      0.579592      1.159958
  C      -7.801063      0.805528      2.200005
  N      -7.899356      1.793524      3.072927
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  H      -3.064442     -1.765457      4.709027
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  H      -1.920192      0.054439      0.954746
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  H      -5.145015      3.098655     -3.239275
  H      -3.463066      4.699567     -2.238634
  H      -2.315044      4.053907     -0.110379
  H      -2.678531      5.879343      4.976192
  H      -3.807133      5.426963      6.260160
  H      -5.132654      6.129273      4.519313
  H      -5.311124      4.373011      4.474287
  H      -3.364972      4.423634      2.699056
  H      -3.809456      6.145803      2.495528
  H      -5.873040      7.160647      2.960330
  H      -7.970178      8.306418      2.398166
  H     -10.176320      5.778004     -0.735603
  H      -9.669606      3.582718     -1.880959
  H      -7.569442      2.372456     -1.277187
  H      -7.001310      1.093435      6.767643
  H      -6.620181      1.898480      5.218909
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  H      -7.355622      3.196038      7.896585
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  H      -9.053187      2.661565      5.997138
  H     -10.101950      5.617558      4.180514
  H     -11.808719      5.170054      2.411842
  H     -10.549121      1.323531      0.233057
  H      -8.582815     -0.252429      0.470737
  H      -6.923886      0.154704      2.304084
  N      -4.599017      2.044562      3.842301
99
Coordinates from ORCA-job orca E -6428.937325188645
  N      -2.649533      0.252985      5.032734
  Mo     -3.655235      1.969893      5.228365
  N      -5.063198      1.843288      6.605144
  C      -4.720893      1.780514      8.022265
  C      -3.340373      1.160200      8.241444
  N      -2.352698      1.758992      7.340510
  C      -1.234354      0.883904      6.981400
  C      -1.676550     -0.213693      6.016155
  C      -1.951729      3.136523      7.653616
  C      -1.659023      3.873321      6.345057
  N      -2.787042      3.785049      5.407748
  H      -0.771075     -0.604786      5.512464
  H      -2.100345     -1.073828      6.574460
  H      -0.473848      1.508730      6.493108
  H      -0.759106      0.430445      7.874071
  H      -1.424278      4.927574      6.568651
  H      -0.748137      3.455675      5.881380
  H      -2.794587      3.629723      8.158249
  H      -1.082466      3.167563      8.341387
  H      -5.465554      1.168192      8.565355
  H      -4.760845      2.787775      8.482524
  H      -3.395249      0.089519      7.996841
  H      -3.044292      1.248235      9.305942
  C      -3.033864     -0.826690      4.117768
  C      -2.169662     -0.899746      2.848310
  C      -2.584150      0.135788      1.817338
  O      -3.902140     -0.277399      1.358114
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  C      -5.433174     -0.657946     -0.338986
  C      -6.083158     -0.279241     -1.521570
  N      -5.835823      0.836397     -2.197396
  C      -4.887360      1.661606     -1.669596
  C      -4.613320      2.884497     -2.330093
  C      -3.698809      3.759118     -1.792142
  C      -3.045603      3.403157     -0.591214
  N      -3.247830      2.266441      0.050675
  C      -4.154733      1.391883     -0.462947
  C      -3.424547      5.091188      5.229965
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  C      -7.843580      3.308607     -0.814888
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  C      -8.412299      3.573235      6.093818
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  C     -10.030919      4.724630      3.598476
  C     -10.978363      4.480078      2.579363
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  C      -9.935089      2.546747      1.930779
  C      -9.815840      1.448442      1.044074
  C      -8.752862      0.584017      1.182307
  C      -7.819491      0.803396      2.223732
  N      -7.910388      1.792916      3.095408
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  H      -2.983025     -1.788034      4.661254
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  H      -1.897620      0.166182      0.960166
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  H      -5.160888      3.103010     -3.247821
  H      -3.478744      4.715368     -2.267673
  H      -2.321432      4.090050     -0.140862
  H      -2.665293      5.837517      4.916875
  H      -3.790502      5.435236      6.220034
  H      -5.130390      6.095966      4.480702
  H      -5.311788      4.339824      4.463701
  H      -3.387268      4.349171      2.672883
  H      -3.801490      6.077560      2.456572
  H      -5.851475      7.132770      2.924108
  H      -7.932958      8.306462      2.358537
  H     -10.179018      5.795175     -0.761311
  H      -9.696319      3.594845     -1.909036
  H      -7.608052      2.360802     -1.307656
  H      -7.023492      1.095201      6.804560
  H      -6.637644      1.882956      5.247810
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  H      -7.345373      3.214595      7.916603
  H      -8.985445      4.375691      6.589248
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  H     -10.085415      5.633355      4.198505
  H     -11.787605      5.200274      2.423608
  H     -10.557513      1.341861      0.250797
  H      -8.608301     -0.250495      0.495228
  H      -6.950043      0.145106      2.331488
  N      -4.615549      2.003304      3.862213
99
Coordinates from ORCA-job orca E -6428.938423843916
  N      -2.647499      0.232351      5.047880
  Mo     -3.670133      1.938540      5.247229
  N      -5.077739      1.819550      6.625874
  C      -4.735730      1.766042      8.043360
  C      -3.355109      1.147026      8.266349
  N      -2.368857      1.738235      7.358118
  C      -1.249530      0.860898      7.006431
  C      -1.693076     -0.239720      6.046817
  C      -1.969142      3.118279      7.661861
  C      -1.672268      3.847773      6.350463
  N      -2.796811      3.752421      5.409115
  H      -0.787669     -0.646637      5.555930
  H      -2.133978     -1.089851      6.607502
  H      -0.489455      1.482720      6.513359
  H      -0.774991      0.413510      7.902560
  H      -1.441529      4.903717      6.570480
  H      -0.757813      3.431123      5.891905
  H      -2.814878      3.614411      8.158948
  H      -1.103394      3.154968      8.353602
  H      -5.480254      1.156024      8.589816
  H      -4.777115      2.775920      8.497926
  H      -3.410875      0.074137      8.031615
  H      -3.056834      1.244372      9.329336
  C      -2.986341     -0.833440      4.099688
  C      -2.109549     -0.837299      2.836651
  C      -2.554065      0.201683      1.823357
  O      -3.855806     -0.246588      1.353202
  C      -4.421191      0.190214      0.216141
  C      -5.409644     -0.631615     -0.319068
  C      -6.079073     -0.257711     -1.492082
  N      -5.848904      0.859177     -2.172298
  C      -4.899253      1.690967     -1.658115
  C      -4.642250      2.914939     -2.324287
  C      -3.726283      3.796576     -1.800854
  C      -3.054995      3.447138     -0.607240
  N      -3.241033      2.309584      0.039837
  C      -4.147513      1.427204     -0.460626
  C      -3.414427      5.062438      5.194302
  C      -4.600703      5.115926      4.236364
  C      -4.181993      5.036421      2.771934
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  C      -6.275827      5.395069      1.629038
  C      -6.512108      6.650069      2.175222
  C      -7.693263      7.340614      1.834698
  N      -8.618029      6.914673      0.988625
  C      -8.376957      5.706191      0.396461
  C      -9.296504      5.214943     -0.561838
  C      -9.046830      4.011789     -1.181310
  C      -7.882348      3.292256     -0.830526
  N      -7.004712      3.699924      0.073663
  C      -7.234276      4.892635      0.680027
  C      -6.505553      1.942078      6.358631
  C      -7.120141      3.269416      6.844098
  C      -8.403253      3.594376      6.101801
  O      -8.044737      4.015395      4.760658
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  C     -10.020743      4.738662      3.601587
  C     -10.972039      4.494119      2.584666
  N     -10.961378      3.443102      1.779308
  C      -9.940506      2.551571      1.944103
  C      -9.830002      1.446525      1.064786
  C      -8.769923      0.577761      1.205650
  C      -7.832038      0.798330      2.243276
  N      -7.915728      1.793265      3.109128
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  H      -2.900506     -1.808295      4.613340
  H      -4.034671     -0.725811      3.793058
  H      -1.058250     -0.644184      3.104260
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  H      -1.865470      0.270876      0.970711
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  H      -2.330179      4.139933     -0.167273
  H      -2.645966      5.788086      4.854709
  H      -3.768315      5.441482      6.175768
  H      -5.123303      6.060753      4.439487
  H      -5.309597      4.305124      4.449820
  H      -3.407757      4.269718      2.644971
  H      -3.787376      6.004639      2.415525
  H      -5.815074      7.110022      2.870886
  H      -7.877947      8.314262      2.300461
  H     -10.183399      5.811845     -0.780706
  H      -9.736945      3.599044     -1.919190
  H      -7.660153      2.340268     -1.320868
  H      -7.048989      1.103216      6.839583
  H      -6.655178      1.865550      5.271919
  H      -6.403381      4.089477      6.673877
  H      -7.332552      3.244011      7.924923
  H      -8.964759      4.407277      6.593155
  H      -9.058744      2.708725      6.039010
  H     -10.070400      5.650320      4.198677
  H     -11.777932      5.217831      2.426482
  H     -10.575653      1.338492      0.275050
  H      -8.631737     -0.261782      0.523828
  H      -6.964911      0.136383      2.353286
  N      -4.628986      1.961344      3.878581
99
Coordinates from ORCA-job orca E -6428.939361182548
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  Mo     -3.681817      1.910889      5.262394
  N      -5.086532      1.788513      6.644319
  C      -4.743634      1.743856      8.061890
  C      -3.359106      1.135588      8.287688
  N      -2.379203      1.726446      7.373073
  C      -1.253824      0.855388      7.026207
  C      -1.691876     -0.250229      6.071555
  C      -1.989062      3.111051      7.668820
  C      -1.696165      3.837105      6.355002
  N      -2.817568      3.727973      5.412030
  H      -0.784474     -0.664529      5.591018
  H      -2.141893     -1.094094      6.634148
  H      -0.499194      1.479746      6.528167
  H      -0.776044      0.416405      7.924545
  H      -1.477410      4.895760      6.573203
  H      -0.776334      3.428859      5.899873
  H      -2.838587      3.604118      8.162137
  H      -1.124482      3.157712      8.361518
  H      -5.484229      1.131286      8.610391
  H      -4.792109      2.755189      8.512103
  H      -3.408317      0.060657      8.061285
  H      -3.059019      1.243347      9.349014
  C      -2.929881     -0.836501      4.087460
  C      -2.046898     -0.782029      2.830230
  C      -2.525256      0.253126      1.829348
  O      -3.812897     -0.229890      1.355586
  C      -4.400749      0.206140      0.230144
  C      -5.389169     -0.624625     -0.291894
  C      -6.073930     -0.260413     -1.458427
  N      -5.858601      0.854677     -2.145957
  C      -4.910846      1.695947     -1.644167
  C      -4.666784      2.916726     -2.319504
  C      -3.751310      3.806858     -1.809811
  C      -3.068531      3.469967     -0.619619
  N      -3.241713      2.335655      0.035616
  C      -4.145942      1.443779     -0.452248
  C      -3.422972      5.036880      5.163053
  C      -4.613056      5.074538      4.209328
  C      -4.198463      4.977476      2.745109
  O      -5.254096      4.554422      1.856060
  C      -6.285974      5.367881      1.602414
  C      -6.498594      6.630773      2.142935
  C      -7.665644      7.342368      1.797494
  N      -8.597243      6.929795      0.951826
  C      -8.377045      5.714947      0.362756
  C      -9.300774      5.238859     -0.598986
  C      -9.068608      4.031707     -1.218971
  C      -7.918571      3.292011     -0.864368
  N      -7.039123      3.684399      0.044282
  C      -7.250612      4.880993      0.650851
  C      -6.514045      1.919780      6.380014
  C      -7.114611      3.255595      6.859097
  C      -8.396915      3.591282      6.119994
  O      -8.035885      4.010526      4.779233
  C      -9.000428      3.833118      3.829084
  C     -10.000659      4.761148      3.621577
  C     -10.949585      4.533924      2.600230
  N     -10.948479      3.487236      1.789665
  C      -9.940519      2.582090      1.953702
  C      -9.842140      1.478479      1.070867
  C      -8.795556      0.595491      1.211003
  C      -7.858657      0.800747      2.251551
  N      -7.931407      1.793535      3.121081
  C      -8.937806      2.692536      2.970015
  H      -2.807375     -1.818466      4.579067
  H      -3.981012     -0.762967      3.779327
  H      -1.006543     -0.548710      3.109523
  H      -2.039214     -1.769797      2.341729
  H      -1.839479      0.353799      0.978232
  H      -2.662615      1.238390      2.290672
  H      -5.612666     -1.564028      0.214557
  H      -6.841064     -0.933751     -1.855624
  H      -5.237119      3.121633     -3.226781
  H      -3.552892      4.761220     -2.298637
  H      -2.345270      4.170479     -0.189461
  H      -2.649750      5.745492      4.800231
  H      -3.767143      5.446804      6.135347
  H      -5.138489      6.019650      4.401211
  H      -5.318809      4.264815      4.434324
  H      -3.437929      4.196721      2.620906
  H      -3.788499      5.936405      2.381657
  H      -5.793847      7.080842      2.838132
  H      -7.832415      8.322272      2.259221
  H     -10.175036      5.851897     -0.821253
  H      -9.760574      3.632300     -1.961413
  H      -7.707620      2.337795     -1.357152
  H      -7.062424      1.088883      6.868723
  H      -6.668007      1.836903      5.294548
  H      -6.390239      4.067016      6.680201
  H      -7.322691      3.239583      7.940758
  H      -8.950387      4.408860      6.613369
  H      -9.060185      2.711543      6.058032
  H     -10.043282      5.668696      4.223937
  H     -11.745582      5.268392      2.442633
  H     -10.587202      1.381783      0.279626
  H      -8.667164     -0.244022      0.526494
  H      -7.001682      0.127202      2.361426
  N      -4.637716      1.918886      3.892853
99
Coordinates from ORCA-job orca E -6428.940171614589
  N      -2.635408      0.204332      5.068822
  Mo     -3.698608      1.884281      5.275046
  N      -5.099209      1.764827      6.663057
  C      -4.753744      1.728780      8.079933
  C      -3.367950      1.124205      8.306597
  N      -2.391787      1.710161      7.384595
  C      -1.265564      0.838891      7.041061
  C      -1.705219     -0.269284      6.091074
  C      -2.004164      3.097052      7.671724
  C      -1.714476      3.819301      6.354994
  N      -2.835685      3.701795      5.412267
  H      -0.797956     -0.694036      5.619648
  H      -2.167549     -1.105504      6.655377
  H      -0.513247      1.461896      6.537400
  H      -0.785538      0.405392      7.940874
  H      -1.502983      4.880090      6.571306
  H      -0.790869      3.415683      5.901951
  H      -2.853932      3.590719      8.164429
  H      -1.138216      3.148907      8.362451
  H      -5.492979      1.117664      8.632303
  H      -4.803388      2.742426      8.525124
  H      -3.415840      0.047286      8.089213
  H      -3.064730      1.241131      9.366095
  C      -2.893012     -0.839964      4.071439
  C      -1.999964     -0.738389      2.824194
  C      -2.495622      0.295700      1.830966
  O      -3.771239     -0.208986      1.347343
  C      -4.374544      0.236000      0.233822
  C      -5.369964     -0.592264     -0.279386
  C      -6.069734     -0.223455     -1.435403
  N      -5.863248      0.894397     -2.121530
  C      -4.910362      1.734240     -1.627461
  C      -4.675247      2.957719     -2.301720
  C      -3.754015      3.846492     -1.800397
  C      -3.057463      3.506005     -0.618858
  N      -3.222160      2.369303      0.035328
  C      -4.130507      1.477552     -0.445421
  C      -3.421434      5.012537      5.126268
  C      -4.615151      5.039842      4.176754
  C      -4.204251      4.926885      2.712827
  O      -5.269395      4.515159      1.829529
  C      -6.284915      5.345648      1.566171
  C      -6.472753      6.618680      2.090491
  C      -7.629385      7.345650      1.741443
  N      -8.573355      6.938282      0.907396
  C      -8.376042      5.713640      0.331880
  C      -9.313166      5.241507     -0.619065
  C      -9.101628      4.025950     -1.229132
  C      -7.958778      3.273927     -0.874868
  N      -7.069179      3.661449      0.025950
  C      -7.260600      4.865594      0.622730
  C      -6.526731      1.910183      6.403229
  C      -7.108752      3.259408      6.868107
  C      -8.390500      3.604610      6.131609
  O      -8.031227      4.015120      4.787669
  C      -8.998127      3.839340      3.839136
  C      -9.992644      4.773310      3.626090
  C     -10.944402      4.546489      2.606116
  N     -10.951929      3.494202      1.802388
  C      -9.949709      2.582730      1.971972
  C      -9.861131      1.471043      1.098156
  C      -8.818823      0.582334      1.243140
  C      -7.877721      0.789332      2.280236
  N      -7.942351      1.789148      3.142413
  C      -8.944029      2.693537      2.986238
  H      -2.745033     -1.827714      4.544199
  H      -3.943336     -0.791963      3.756269
  H      -0.970888     -0.476696      3.119955
  H      -1.955357     -1.718808      2.322880
  H      -1.807987      0.418743      0.984037
  H      -2.656248      1.273689      2.301665
  H      -5.586482     -1.534056      0.225838
  H      -6.842032     -0.895037     -1.825216
  H      -5.257040      3.165832     -3.201320
  H      -3.561983      4.802690     -2.289091
  H      -2.330021      4.205932     -0.195227
  H      -2.638627      5.698557      4.739646
  H      -3.753667      5.456656      6.087969
  H      -5.142243      5.986133      4.358588
  H      -5.319831      4.231576      4.411641
  H      -3.457663      4.132481      2.591743
  H      -3.778908      5.876537      2.342619
  H      -5.756995      7.065034      2.776358
  H      -7.776626      8.333836      2.190703
  H     -10.180048      5.865489     -0.842145
  H      -9.803463      3.630502     -1.965143
  H      -7.761529      2.314087     -1.361299
  H      -7.082845      1.092229      6.905107
  H      -6.686765      1.815297      5.319895
  H      -6.374811      4.059124      6.675885
  H      -7.311682      3.259166      7.950925
  H      -8.933355      4.430027      6.623485
  H      -9.063385      2.731629      6.076502
  H     -10.029296      5.684657      4.224088
  H     -11.735316      5.285751      2.444122
  H     -10.610105      1.372213      0.310528
  H      -8.698289     -0.263981      0.565969
  H      -7.025433      0.110457      2.394718
  N      -4.655928      1.883748      3.905733
99
Coordinates from ORCA-job orca E -6428.940858780667
  N      -2.622106      0.192812      5.078162
  Mo     -3.706639      1.859038      5.282909
  N      -5.104562      1.734114      6.675162
  C      -4.758555      1.708128      8.091896
  C      -3.368272      1.115691      8.321253
  N      -2.398076      1.702347      7.393278
  C      -1.266099      0.836830      7.054261
  C      -1.700916     -0.277321      6.110460
  C      -2.019997      3.093186      7.672718
  C      -1.737417      3.813962      6.354003
  N      -2.857142      3.680873      5.412059
  H      -0.792147     -0.707851      5.648054
  H      -2.170577     -1.107280      6.677596
  H      -0.518734      1.461580      6.545373
  H      -0.782567      0.411623      7.956088
  H      -1.540297      4.877588      6.569405
  H      -0.808234      3.421279      5.903029
  H      -2.872274      3.582799      8.164822
  H      -1.152966      3.154363      8.361250
  H      -5.493749      1.094667      8.647043
  H      -4.815390      2.723655      8.532049
  H      -3.407941      0.036744      8.112640
  H      -3.064128      1.243603      9.379177
  C      -2.846198     -0.845076      4.067773
  C      -1.947329     -0.710384      2.829001
  C      -2.457734      0.319194      1.838670
  O      -3.725264     -0.200795      1.354392
  C      -4.349188      0.249300      0.254112
  C      -5.351587     -0.580601     -0.243262
  C      -6.068655     -0.214498     -1.389051
  N      -5.873203      0.902355     -2.080308
  C      -4.915308      1.744631     -1.600757
  C      -4.690971      2.966501     -2.281752
  C      -3.763398      3.857642     -1.796120
  C      -3.050706      3.521436     -0.623078
  N      -3.205031      2.386622      0.036796
  C      -4.118259      1.491268     -0.429241
  C      -3.430630      4.988843      5.092767
  C      -4.628746      5.002927      4.148555
  C      -4.223485      4.885468      2.683898
  O      -5.297666      4.488775      1.804177
  C      -6.298229      5.336713      1.537251
  C      -6.462591      6.616215      2.055486
  C      -7.606446      7.362217      1.704586
  N      -8.559413      6.967059      0.874787
  C      -8.383796      5.736669      0.303460
  C      -9.329358      5.277587     -0.645307
  C      -9.136539      4.058436     -1.255400
  C      -8.004384      3.289392     -0.902809
  N      -7.109295      3.663428     -0.002050
  C      -7.282094      4.870759      0.595002
  C      -6.532309      1.884827      6.418237
  C      -7.104281      3.240878      6.875803
  C      -8.385012      3.594213      6.140953
  O      -8.024486      4.007395      4.798397
  C      -8.991369      3.842739      3.848357
  C      -9.976030      4.786942      3.634813
  C     -10.925528      4.573049      2.610652
  N     -10.941099      3.522912      1.804402
  C      -9.950201      2.600085      1.975882
  C      -9.873103      1.487481      1.102135
  C      -8.843033      0.586000      1.250238
  C      -7.902601      0.782001      2.289741
  N      -7.956372      1.782843      3.151574
  C      -8.946708      2.698569      2.993099
  H      -2.676139     -1.833439      4.530639
  H      -3.895163     -0.820306      3.745814
  H      -0.928153     -0.426111      3.136403
  H      -1.874652     -1.684796      2.321174
  H      -1.772557      0.453956      0.992833
  H      -2.631378      1.292719      2.311206
  H      -5.558690     -1.522446      0.265872
  H      -6.845942     -0.887621     -1.766461
  H      -5.285949      3.171387     -3.173392
  H      -3.579350      4.812451     -2.290614
  H      -2.319199      4.224295     -0.210864
  H      -2.642689      5.656330      4.685199
  H      -3.751287      5.460618      6.044315
  H      -5.163064      5.945550      4.325730
  H      -5.326403      4.190777      4.389210
  H      -3.488252      4.081258      2.559181
  H      -3.786969      5.829380      2.313219
  H      -5.737962      7.053495      2.738055
  H      -7.735100      8.355576      2.149102
  H     -10.186353      5.915384     -0.868130
  H      -9.844053      3.674370     -1.991517
  H      -7.818134      2.327766     -1.391194
  H      -7.091591      1.074265      6.928483
  H      -6.696912      1.782128      5.336632
  H      -6.364737      4.033852      6.677252
  H      -7.304699      3.248110      7.958924
  H      -8.922722      4.421295      6.635762
  H      -9.062990      2.725338      6.084181
  H     -10.007240      5.695792      4.236494
  H     -11.707706      5.321015      2.447492
  H     -10.621668      1.396570      0.313271
  H      -8.732171     -0.262594      0.574081
  H      -7.060337      0.092047      2.407056
  N      -4.660811      1.846846      3.910808
99
Coordinates from ORCA-job orca E -6428.941444512306
  N      -2.614864      0.184888      5.080286
  Mo     -3.720061      1.837719      5.288654
  N      -5.112727      1.703179      6.687254
  C      -4.763184      1.683661      8.102999
  C      -3.367928      1.103809      8.331642
  N      -2.405301      1.695442      7.399207
  C      -1.267428      0.838340      7.059145
  C      -1.696261     -0.280421      6.117949
  C      -2.038547      3.089740      7.674212
  C      -1.766291      3.811678      6.354109
  N      -2.885310      3.664293      5.412762
  H      -0.785090     -0.710756      5.660340
  H      -2.167521     -1.108543      6.686405
  H      -0.526747      1.467915      6.546098
  H      -0.777771      0.419034      7.960604
  H      -1.583869      4.877869      6.569545
  H      -0.831524      3.430960      5.903932
  H      -2.892662      3.573062      8.169267
  H      -1.168568      3.159726      8.358533
  H      -5.493035      1.066535      8.661032
  H      -4.826497      2.699958      8.540696
  H      -3.398157      0.023596      8.128321
  H      -3.062411      1.239658      9.388321
  C      -2.812731     -0.847203      4.056772
  C      -1.905006     -0.682092      2.826803
  C      -2.428460      0.346823      1.842069
  O      -3.686681     -0.191382      1.350484
  C      -4.326022      0.269882      0.263991
  C      -5.335706     -0.554802     -0.227222
  C      -6.065476     -0.179560     -1.362035
  N      -5.875498      0.941295     -2.048457
  C      -4.910830      1.778464     -1.573714
  C      -4.689964      3.003135     -2.250632
  C      -3.752535      3.887530     -1.771631
  C      -3.027312      3.542181     -0.608698
  N      -3.178808      2.405345      0.047328
  C      -4.101156      1.515748     -0.413071
  C      -3.446301      4.969346      5.056540
  C      -4.645466      4.967704      4.113845
  C      -4.238876      4.833582      2.650524
  O      -5.319207      4.445010      1.775106
  C      -6.303047      5.307931      1.497584
  C      -6.443145      6.595130      2.002738
  C      -7.571955      7.359077      1.643035
  N      -8.532458      6.973320      0.817168
  C      -8.379953      5.734252      0.258445
  C      -9.333611      5.283041     -0.686137
  C      -9.162869      4.055410     -1.285272
  C      -8.044428      3.270503     -0.926256
  N      -7.143381      3.636719     -0.028063
  C      -7.294624      4.851422      0.558714
  C      -6.541058      1.860914      6.435739
  C      -7.101777      3.222165      6.892788
  C      -8.381377      3.586498      6.161734
  O      -8.019818      4.007663      4.822153
  C      -8.987279      3.855540      3.871543
  C      -9.960874      4.811063      3.656878
  C     -10.911324      4.608173      2.631171
  N     -10.938598      3.557459      1.825700
  C      -9.959092      2.622763      1.999511
  C      -9.895989      1.506699      1.129274
  C      -8.876705      0.592987      1.279909
  C      -7.933911      0.780388      2.318877
  N      -7.975304      1.783974      3.177974
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  H      -3.859791     -0.839504      3.726643
  H      -0.894057     -0.378944      3.145863
  H      -1.806641     -1.651509      2.310290
  H      -1.741286      0.497795      0.998239
  H      -2.618406      1.316838      2.320664
  H      -5.538316     -1.499650      0.278085
  H      -6.848613     -0.848496     -1.734704
  H      -5.294980      3.214637     -3.133871
  H      -3.570296      4.843530     -2.263820
  H      -2.287604      4.239689     -0.201909
  H      -2.651774      5.616433      4.628934
  H      -3.758644      5.470690      5.996013
  H      -5.186855      5.909114      4.278177
  H      -5.338543      4.153670      4.364324
  H      -3.514937      4.017885      2.531203
  H      -3.788737      5.768889      2.272193
  H      -5.710640      7.025294      2.682015
  H      -7.681069      8.359206      2.076980
  H     -10.178594      5.933828     -0.915139
  H      -9.876833      3.677717     -2.018812
  H      -7.872980      2.302554     -1.406886
  H      -7.102975      1.055520      6.951665
  H      -6.711869      1.755159      5.355291
  H      -6.356408      4.009209      6.692004
  H      -7.299653      3.232002      7.976384
  H      -8.914819      4.412776      6.663027
  H      -9.063640      2.721545      6.099480
  H      -9.983436      5.719571      4.259547
  H     -11.684554      5.365582      2.466713
  H     -10.646518      1.421638      0.341782
  H      -8.776973     -0.259611      0.606919
  H      -7.100207      0.079622      2.437979
  N      -4.673622      1.818400      3.917654
99
Coordinates from ORCA-job orca E -6428.941969989784
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  Mo     -3.724985      1.818140      5.294681
  N      -5.115999      1.671378      6.696235
  C      -4.766620      1.659923      8.111759
  C      -3.365611      1.095322      8.342715
  N      -2.409044      1.693058      7.407446
  C      -1.263800      0.844859      7.069594
  C      -1.684881     -0.280002      6.132641
  C      -2.055623      3.091000      7.678896
  C      -1.791981      3.814984      6.358425
  N      -2.908356      3.650700      5.416645
  H      -0.770819     -0.710988      5.681779
  H      -2.158195     -1.105325      6.703373
  H      -0.528939      1.478678      6.553200
  H      -0.769726      0.432693      7.971976
  H      -1.627399      4.884007      6.574564
  H      -0.850333      3.448790      5.910020
  H      -2.913584      3.566847      8.174717
  H      -1.184671      3.170825      8.360940
  H      -5.490920      1.037841      8.671755
  H      -4.839736      2.677063      8.546334
  H      -3.383918      0.013835      8.145012
  H      -3.061366      1.239767      9.398653
  C      -2.773718     -0.849221      4.056783
  C      -1.861188     -0.665619      2.833521
  C      -2.392818      0.358333      1.847700
  O      -3.644447     -0.192266      1.355127
  C      -4.303756      0.273258      0.282169
  C      -5.324890     -0.549607     -0.188676
  C      -6.072882     -0.175632     -1.311719
  N      -5.890827      0.942121     -2.005358
  C      -4.916199      1.777855     -1.549631
  C      -4.703104      2.999435     -2.235086
  C      -3.754536      3.882615     -1.776310
  C      -3.010589      3.539070     -0.624834
  N      -3.153976      2.405106      0.038028
  C      -4.087228      1.516389     -0.402463
  C      -3.458883      4.951141      5.028401
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  C      -4.255337      4.811540      2.625712
  O      -5.340009      4.439125      1.748453
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  C      -6.428223      6.608917      1.969541
  C      -7.545586      7.390202      1.610116
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  C      -8.384524      5.772938      0.235578
  C      -9.349515      5.333310     -0.702848
  C      -9.199591      4.101771     -1.299549
  C      -8.090582      3.301568     -0.944049
  N      -7.180603      3.656320     -0.050312
  C      -7.311257      4.874221      0.534118
  C      -6.544575      1.831433      6.446027
  C      -7.101976      3.195329      6.899496
  C      -8.379866      3.563759      6.167079
  O      -8.016252      3.997629      4.832065
  C      -8.981986      3.853627      3.877653
  C      -9.946248      4.818127      3.660129
  C     -10.893672      4.625576      2.629356
  N     -10.927447      3.576094      1.822517
  C      -9.958212      2.631538      1.999971
  C      -9.904148      1.514318      1.130211
  C      -8.895616      0.589442      1.285586
  C      -7.954788      0.767122      2.328204
  N      -7.987768      1.772075      3.186565
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  H      -2.577917     -1.839461      4.506157
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  H      -0.857107     -0.349013      3.159905
  H      -1.745419     -1.631119      2.314549
  H      -1.705844      0.513953      1.005193
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  H      -5.521548     -1.492230      0.323075
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  H      -3.578354      4.836380     -2.275289
  H      -2.263148      4.236676     -0.232424
  H      -2.659518      5.581310      4.585189
  H      -3.763172      5.474704      5.957345
  H      -5.215851      5.868548      4.253897
  H      -5.340853      4.112724      4.338213
  H      -3.537681      3.992256      2.498763
  H      -3.799287      5.745976      2.254593
  H      -5.686896      7.029946      2.644655
  H      -7.636746      8.393950      2.039878
  H     -10.186048      5.996173     -0.930111
  H      -9.922269      3.733760     -2.029545
  H      -7.932688      2.330934     -1.423332
  H      -7.107672      1.029565      6.966088
  H      -6.717727      1.721688      5.366649
  H      -6.353964      3.980010      6.698895
  H      -7.300870      3.206804      7.982857
  H      -8.915669      4.385246      6.673522
  H      -9.061191      2.698573      6.095749
  H      -9.964461      5.725289      4.265461
  H     -11.658624      5.390508      2.462290
  H     -10.653582      1.435762      0.340840
  H      -8.804294     -0.265755      0.614694
  H      -7.131982      0.055202      2.452493
  N      -4.674699      1.791335      3.920239
99
Coordinates from ORCA-job orca E -6428.942415269862
  N      -2.584017      0.172632      5.093098
  Mo     -3.731680      1.797905      5.299054
  N      -5.118537      1.637283      6.705245
  C      -4.765687      1.634511      8.119713
  C      -3.357447      1.088294      8.349611
  N      -2.410180      1.694556      7.410033
  C      -1.256358      0.858025      7.071502
  C      -1.668237     -0.275064      6.140628
  C      -2.072493      3.096804      7.677478
  C      -1.821330      3.822989      6.356297
  N      -2.935436      3.638039      5.415725
  H      -0.751589     -0.702888      5.693066
  H      -2.137246     -1.099709      6.715795
  H      -0.530475      1.497884      6.549840
  H      -0.754507      0.454782      7.973712
  H      -1.676672      4.895097      6.571887
  H      -0.873227      3.473491      5.908249
  H      -2.934591      3.562979      8.175128
  H      -1.200083      3.188591      8.355974
  H      -5.481239      1.005888      8.683842
  H      -4.849846      2.652228      8.551441
  H      -3.361742      0.005753      8.157130
  H      -3.052910      1.241636      9.404082
  C      -2.742823     -0.854874      4.060874
  C      -1.828253     -0.657724      2.841863
  C      -2.363016      0.365275      1.856749
  O      -3.610467     -0.188889      1.361109
  C      -4.288059      0.291775      0.306325
  C      -5.323438     -0.521093     -0.150077
  C      -6.089304     -0.134887     -1.256626
  N      -5.913371      0.986747     -1.946234
  C      -4.925608      1.813174     -1.503351
  C      -4.717957      3.038675     -2.185050
  C      -3.753825      3.912182     -1.740854
  C      -2.989096      3.555011     -0.607214
  N      -3.127679      2.417466      0.051557
  C      -4.076061      1.537967     -0.374767
  C      -3.475551      4.931488      4.988727
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  C      -4.272644      4.764649      2.588815
  O      -5.363461      4.403782      1.713876
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  C      -7.508901      7.398005      1.557703
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  C      -9.356623      5.363342     -0.740949
  C      -9.232046      4.125462     -1.331084
  C      -8.138660      3.305616     -0.972966
  N      -7.221150      3.647377     -0.081823
  C      -7.326927      4.870605      0.496766
  C      -6.547863      1.797332      6.458667
  C      -7.103378      3.162861      6.910954
  C      -8.378988      3.536257      6.176961
  O      -8.011128      3.989061      4.849412
  C      -8.973319      3.856188      3.889835
  C      -9.923259      4.833217      3.666415
  C     -10.865163      4.653774      2.628358
  N     -10.907540      3.604724      1.821270
  C      -9.953816      2.646505      2.006154
  C      -9.910933      1.527391      1.137887
  C      -8.918537      0.587756      1.301902
  C      -7.982883      0.752742      2.351438
  N      -8.005215      1.759848      3.207861
  C      -8.958734      2.711288      3.034671
  H      -2.538255     -1.843944      4.508198
  H      -3.785557     -0.870297      3.719175
  H      -0.828560     -0.333917      3.173185
  H      -1.702013     -1.619107      2.319572
  H      -1.675816      0.524157      1.016278
  H      -2.563652      1.332950      2.332316
  H      -5.517065     -1.465606      0.359728
  H      -6.891792     -0.795125     -1.602525
  H      -5.355144      3.258573     -3.043061
  H      -3.580698      4.868220     -2.237700
  H      -2.227853      4.244102     -0.226096
  H      -2.670304      5.541146      4.527499
  H      -3.773092      5.482594      5.903615
  H      -5.245173      5.826739      4.206299
  H      -5.350473      4.069877      4.308163
  H      -3.564633      3.936172      2.463729
  H      -3.804754      5.692509      2.214522
  H      -5.658375      7.005360      2.595254
  H      -7.578856      8.406268      1.981187
  H     -10.179887      6.041309     -0.971429
  H      -9.962597      3.768411     -2.058457
  H      -7.999406      2.329152     -1.446910
  H      -7.110373      0.997377      6.982201
  H      -6.724278      1.684765      5.380063
  H      -6.353046      3.946208      6.712750
  H      -7.304166      3.173504      7.994004
  H      -8.920011      4.349853      6.690673
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  H      -9.935075      5.739579      4.273240
  H     -11.617894      5.429244      2.455903
  H     -10.656287      1.458207      0.343547
  H      -8.836474     -0.270501      0.632976
  H      -7.173622      0.027286      2.482587
  N      -4.681667      1.761194      3.923295
99
Coordinates from ORCA-job orca E -6428.942815006137
  N      -2.564691      0.174724      5.097342
  Mo     -3.733928      1.784314      5.305726
  N      -5.120629      1.603898      6.710866
  C      -4.769352      1.604694      8.125502
  C      -3.354520      1.076181      8.357544
  N      -2.413377      1.695447      7.419638
  C      -1.249228      0.873778      7.079470
  C      -1.646901     -0.263595      6.147272
  C      -2.094128      3.101109      7.689138
  C      -1.851018      3.833339      6.370093
  N      -2.959084      3.631072      5.425392
  H      -0.724560     -0.682470      5.702395
  H      -2.109213     -1.092688      6.721724
  H      -0.531519      1.523416      6.558153
  H      -0.741699      0.475473      7.980837
  H      -1.727524      4.907416      6.588698
  H      -0.894812      3.502382      5.924662
  H      -2.962552      3.555206      8.186985
  H      -1.222943      3.203778      8.367870
  H      -5.478001      0.967485      8.688920
  H      -4.866539      2.621196      8.557524
  H      -3.344102     -0.006264      8.164854
  H      -3.053569      1.232921      9.412793
  C      -2.707085     -0.850211      4.058293
  C      -1.788511     -0.634099      2.844675
  C      -2.337496      0.383439      1.861446
  O      -3.572688     -0.193167      1.359309
  C      -4.270035      0.289435      0.318630
  C      -5.311951     -0.523839     -0.122755
  C      -6.092400     -0.138921     -1.219772
  N      -5.924956      0.981145     -1.913717
  C      -4.931436      1.807833     -1.484682
  C      -4.729836      3.030899     -2.171671
  C      -3.755717      3.902050     -1.744511
  C      -2.974315      3.545003     -0.622144
  N      -3.107977      2.410833      0.041772
  C      -4.066792      1.534067     -0.367277
  C      -3.490223      4.918027      4.965649
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  C      -4.289997      4.731893      2.568828
  O      -5.387818      4.386462      1.696166
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  N      -8.453202      7.081376      0.703414
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  C      -9.265272      4.167054     -1.341198
  C      -8.189109      3.327745     -0.977603
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  C      -7.342398      4.886875      0.478105
  C      -6.549937      1.763488      6.462439
  C      -7.107491      3.127983      6.916469
  C      -8.380276      3.504626      6.179205
  O      -8.008229      3.984413      4.861845
  C      -8.966967      3.862398      3.897170
  C      -9.905336      4.849880      3.670979
  C     -10.846632      4.680860      2.629716
  N     -10.899650      3.631484      1.823811
  C      -9.957161      2.662364      2.012492
  C      -9.926658      1.540714      1.147995
  C      -8.944425      0.590219      1.315871
  C      -8.007948      0.746087      2.366284
  N      -8.019570      1.755045      3.219587
  C      -8.962656      2.717168      3.042648
  H      -2.494341     -1.839738      4.501431
  H      -3.747908     -0.875514      3.710730
  H      -0.794755     -0.295509      3.180931
  H      -1.643730     -1.591755      2.318272
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  H      -5.498729     -1.467680      0.390679
  H      -6.899354     -0.800004     -1.554422
  H      -5.379445      3.250148     -3.020498
  H      -3.586448      4.855566     -2.246201
  H      -2.204230      4.231442     -0.254029
  H      -2.680345      5.509899      4.489538
  H      -3.781518      5.492201      5.868256
  H      -5.271817      5.793968      4.180703
  H      -5.359101      4.036837      4.294297
  H      -3.592103      3.894448      2.441194
  H      -3.810024      5.654070      2.194592
  H      -5.624711      6.999953      2.557795
  H      -7.512982      8.438061      1.931547
  H     -10.170487      6.105478     -0.997900
  H     -10.004010      3.819754     -2.065178
  H      -8.069650      2.344958     -1.443548
  H      -7.112630      0.962357      6.984186
  H      -6.725145      1.652351      5.383445
  H      -6.356542      3.912528      6.724804
  H      -7.312348      3.134021      7.998771
  H      -8.931326      4.305517      6.702293
  H      -9.051187      2.634753      6.074101
  H      -9.909907      5.755145      4.279489
  H     -11.591012      5.464460      2.455272
  H     -10.672597      1.477890      0.353904
  H      -8.871776     -0.270727      0.650305
  H      -7.206986      0.010563      2.500331
  N      -4.677909      1.742673      3.927837
99
Coordinates from ORCA-job orca E -6428.943186201119
  N      -2.549628      0.179141      5.101079
  Mo     -3.739177      1.772937      5.313233
  N      -5.122855      1.570866      6.719405
  C      -4.770088      1.573914      8.133410
  C      -3.347870      1.064886      8.363179
  N      -2.416300      1.699158      7.425891
  C      -1.241569      0.894674      7.081132
  C      -1.624914     -0.247441      6.148990
  C      -2.116298      3.108059      7.698184
  C      -1.883396      3.847548      6.381636
  N      -2.985553      3.626904      5.434381
  H      -0.697594     -0.653933      5.703038
  H      -2.074963     -1.082778      6.724140
  H      -0.534987      1.555269      6.558480
  H      -0.725584      0.502366      7.980252
  H      -1.782435      4.923376      6.603723
  H      -0.919571      3.536964      5.937434
  H      -2.990706      3.548740      8.197480
  H      -1.246130      3.221795      8.376241
  H      -5.469036      0.926069      8.696864
  H      -4.881099      2.588210      8.567298
  H      -3.322049     -0.016898      8.168486
  H      -3.048248      1.223692      9.418301
  C      -2.680948     -0.845815      4.059799
  C      -1.760018     -0.619189      2.849267
  C      -2.315344      0.393706      1.864652
  O      -3.539590     -0.198928      1.354286
  C      -4.256855      0.289100      0.329714
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  C      -4.761872      3.037580     -2.145530
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  O      -5.398865      4.369501      1.669083
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  C      -9.280121      4.204021     -1.367555
  C      -8.218969      3.347169     -0.999891
  N      -7.286654      3.666479     -0.116298
  C      -7.342100      4.900101      0.444470
  C      -6.552737      1.725945      6.472786
  C      -7.116890      3.086044      6.932310
  C      -8.387965      3.462447      6.191609
  O      -8.011439      3.978357      4.888791
  C      -8.962944      3.866375      3.915433
  C      -9.883766      4.867626      3.678759
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  N     -10.878889      3.660386      1.824784
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  H      -2.461375     -1.834340      4.502103
  H      -3.720679     -0.878673      3.709055
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  H      -5.482459     -1.469022      0.416773
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  H      -5.427756      3.259384     -2.981097
  H      -3.619673      4.862616     -2.237341
  H      -2.198216      4.230401     -0.274943
  H      -2.690437      5.478860      4.450830
  H      -3.793205      5.504368      5.828021
  H      -5.297880      5.759563      4.148509
  H      -5.364801      4.003778      4.271348
  H      -3.610438      3.857986      2.418642
  H      -3.809295      5.618769      2.173821
  H      -5.588840      6.991897      2.516203
  H      -7.448402      8.461883      1.879164
  H     -10.148510      6.161733     -1.037139
  H     -10.026725      3.865640     -2.087628
  H      -8.118908      2.358672     -1.458065
  H      -7.111590      0.920491      6.991794
  H      -6.728448      1.618082      5.394078
  H      -6.368330      3.874747      6.748916
  H      -7.326005      3.084309      8.013695
  H      -8.954972      4.244326      6.726375
  H      -9.045674      2.586179      6.060643
  H      -9.880738      5.773511      4.286559
  H     -11.547949      5.505062      2.445783
  H     -10.668758      1.501245      0.358604
  H      -8.894372     -0.271593      0.671755
  H      -7.245161     -0.012314      2.537760
  N      -4.682152      1.723807      3.934721
99
Coordinates from ORCA-job orca E -6428.943555016644
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  Mo     -3.746317      1.763585      5.324870
  N      -5.125817      1.543219      6.732463
  C      -4.769410      1.548587      8.145493
  C      -3.340420      1.056499      8.370237
  N      -2.418275      1.703790      7.432152
  C      -1.235242      0.913640      7.081520
  C      -1.607735     -0.232561      6.149878
  C      -2.134013      3.115517      7.705797
  C      -1.909187      3.860489      6.391041
  N      -3.005991      3.623588      5.441143
  H      -0.676613     -0.627399      5.701117
  H      -2.044685     -1.074546      6.725899
  H      -0.539498      1.583849      6.556382
  H      -0.710121      0.526911      7.977855
  H      -1.827615      4.937874      6.615503
  H      -0.938495      3.568008      5.948352
  H      -3.013879      3.545001      8.205369
  H      -1.265494      3.238831      8.384134
  H      -5.458073      0.890721      8.710372
  H      -4.892488      2.560741      8.581562
  H      -3.301986     -0.024482      8.172779
  H      -3.040075      1.215975      9.424935
  C      -2.663385     -0.839689      4.062468
  C      -1.742535     -0.602913      2.854474
  C      -2.302190      0.406522      1.869034
  O      -3.514298     -0.197738      1.346233
  C      -4.247211      0.300332      0.338224
  C      -5.305406     -0.505987     -0.075915
  C      -6.117488     -0.111686     -1.146362
  N      -5.969476      1.012791     -1.837286
  C      -4.961704      1.833801     -1.433295
  C      -4.779014      3.062502     -2.116196
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  C      -2.964317      3.554825     -0.630699
  N      -3.082698      2.416975      0.031468
  C      -4.061405      1.549184     -0.346700
  C      -3.508761      4.894900      4.907138
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  C      -9.351439      5.492291     -0.823498
  C      -9.311414      4.232025     -1.376831
  C      -8.271873      3.353805     -0.998451
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  C      -7.354621      4.903519      0.423733
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  C      -7.132250      3.044733      6.945987
  C      -8.399892      3.416608      6.196754
  O      -8.017224      3.973151      4.911878
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  C     -10.778126      4.735347      2.609771
  N     -10.848047      3.680709      1.812128
  C      -9.941748      2.683646      2.028375
  C      -9.925235      1.556568      1.169131
  C      -8.974001      0.580382      1.360699
  C      -8.055997      0.714761      2.430393
  N      -8.056886      1.728046      3.280040
  C      -8.968976      2.715543      3.079613
  H      -2.437201     -1.827412      4.503156
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  H      -1.575859     -1.554946      2.324437
  H      -1.606502      0.602113      1.042793
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  H      -5.479660     -1.452704      0.436720
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  H      -3.628955      4.882864     -2.219302
  H      -2.175299      4.232417     -0.287416
  H      -2.684533      5.439128      4.398690
  H      -3.783901      5.525646      5.776213
  H      -5.302729      5.742666      4.107767
  H      -5.372866      3.988203      4.257711
  H      -3.640998      3.797946      2.396284
  H      -3.802415      5.559846      2.135815
  H      -5.549115      6.975030      2.470680
  H      -7.372698      8.482468      1.817009
  H     -10.129808      6.214982     -1.072668
  H     -10.066995      3.903030     -2.091848
  H      -8.197814      2.356994     -1.443249
  H      -7.110287      0.879613      7.003722
  H      -6.730833      1.581313      5.407200
  H      -6.387514      3.839066      6.771132
  H      -7.348736      3.037230      8.025925
  H      -8.987951      4.175985      6.740915
  H      -9.039771      2.532249      6.035735
  H      -9.845042      5.791618      4.273925
  H     -11.492256      5.540886      2.412549
  H     -10.655844      1.510967      0.359613
  H      -8.911153     -0.285734      0.699703
  H      -7.281188     -0.043306      2.584212
  N      -4.692710      1.705198      3.948291
99
Coordinates from ORCA-job orca E -6428.943955619748
  N      -2.532167      0.200043      5.104953
  Mo     -3.752552      1.765461      5.336088
  N      -5.127024      1.517446      6.742727
  C      -4.766503      1.517295      8.154763
  C      -3.330161      1.043430      8.370275
  N      -2.420162      1.711033      7.434831
  C      -1.226737      0.941255      7.074650
  C      -1.584943     -0.205763      6.138925
  C      -2.154739      3.124307      7.718801
  C      -1.939687      3.882703      6.410607
  N      -3.029613      3.632511      5.457275
  H      -0.649223     -0.580220      5.681532
  H      -2.000514     -1.060044      6.712682
  H      -0.544685      1.625505      6.549844
  H      -0.691422      0.558161      7.966283
  H      -1.880062      4.959696      6.643993
  H      -0.962105      3.613603      5.967825
  H      -3.040856      3.537793      8.220583
  H      -1.288886      3.254525      8.398979
  H      -5.443125      0.844693      8.716854
  H      -4.903285      2.524169      8.598778
  H      -3.278263     -0.034963      8.162086
  H      -3.028077      1.196890      9.425204
  C      -2.654405     -0.825592      4.063636
  C      -1.735144     -0.588718      2.854624
  C      -2.298643      0.412166      1.862785
  O      -3.497117     -0.207884      1.328720
  C      -4.243444      0.292772      0.331840
  C      -5.304491     -0.513560     -0.074426
  C      -6.127330     -0.117786     -1.136347
  N      -5.989039      1.009146     -1.824810
  C      -4.978554      1.830599     -1.428461
  C      -4.805263      3.062310     -2.108057
  C      -3.807187      3.924601     -1.720390
  C      -2.972007      3.550028     -0.644281
  N      -3.082208      2.409431      0.015892
  C      -4.065773      1.543630     -0.352329
  C      -3.520805      4.896021      4.896622
  C      -4.729292      4.816181      3.966581
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  C      -8.416618      3.358998      6.211578
  O      -8.028044      3.971121      4.953037
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  C     -10.734892      4.765680      2.600759
  N     -10.815099      3.705456      1.811763
  C      -9.930074      2.693635      2.047292
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  C      -8.987218      0.572568      1.402461
  C      -8.079787      0.698891      2.481802
  N      -8.075611      1.715982      3.326423
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  H      -2.423397     -1.810934      4.506880
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  H      -1.562192     -1.541519      2.328451
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  H      -5.472831     -1.461884      0.437071
  H      -6.947365     -0.775903     -1.443625
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  H      -3.658103      4.884616     -2.217536
  H      -2.178580      4.226197     -0.308959
  H      -2.691298      5.419301      4.375250
  H      -3.787504      5.550237      5.750047
  H      -5.314296      5.738280      4.088660
  H      -5.387650      3.985420      4.255735
  H      -3.665020      3.766235      2.397020
  H      -3.799983      5.527202      2.124442
  H      -5.515029      6.973509      2.436443
  H      -7.301718      8.510573      1.752580
  H     -10.085905      6.268329     -1.131925
  H     -10.068303      3.941241     -2.118867
  H      -8.239323      2.362950     -1.438565
  H      -7.102664      0.827345      7.008438
  H      -6.732209      1.550050      5.419958
  H      -6.416075      3.797021      6.812767
  H      -7.379321      2.969625      8.048480
  H      -9.032816      4.085579      6.768747
  H      -9.030995      2.465426      6.009502
  H      -9.806145      5.815202      4.271588
  H     -11.431906      5.582423      2.387922
  H     -10.642651      1.523449      0.377012
  H      -8.928660     -0.297126      0.746696
  H      -7.317229     -0.068647      2.647906
  N      -4.701137      1.700925      3.960829
99
Coordinates from ORCA-job orca E -6428.944378261410
  N      -2.527462      0.220188      5.102761
  Mo     -3.760666      1.770255      5.350186
  N      -5.129916      1.490628      6.754408
  C      -4.766113      1.480510      8.165786
  C      -3.322770      1.024128      8.370736
  N      -2.425420      1.714957      7.440014
  C      -1.220982      0.967875      7.069324
  C      -1.563733     -0.177027      6.125431
  C      -2.180839      3.129649      7.737853
  C      -1.973897      3.904814      6.438114
  N      -3.053793      3.644601      5.476955
  H      -0.622952     -0.527123      5.657931
  H      -1.955833     -1.046498      6.692821
  H      -0.553201      1.668076      6.547208
  H      -0.675685      0.586959      7.955650
  H      -1.937202      4.980349      6.684027
  H      -0.987978      3.661567      5.997663
  H      -3.074239      3.525667      8.241036
  H      -1.319289      3.265553      8.422473
  H      -5.430852      0.791260      8.722032
  H      -4.916835      2.480436      8.620912
  H      -3.257995     -0.050574      8.147384
  H      -3.018643      1.167416      9.426625
  C      -2.645358     -0.804642      4.059186
  C      -1.727095     -0.560815      2.850530
  C      -2.301669      0.429920      1.854701
  O      -3.479714     -0.216070      1.305984
  C      -4.240846      0.281430      0.318098
  C      -5.294201     -0.535350     -0.086010
  C      -6.126469     -0.145927     -1.143225
  N      -6.005257      0.984808     -1.828445
  C      -5.002371      1.816840     -1.434178
  C      -4.846248      3.052365     -2.110320
  C      -3.854622      3.923772     -1.725719
  C      -3.008220      3.554217     -0.657355
  N      -3.102393      2.409946     -0.000106
  C      -4.080291      1.536441     -0.363737
  C      -3.531327      4.899368      4.889857
  C      -4.741633      4.812183      3.961854
  C      -4.338599      4.611246      2.508465
  O      -5.451883      4.311486      1.639423
  C      -6.302051      5.287465      1.296562
  C      -6.256932      6.609382      1.722512
  C      -7.260053      7.504853      1.297807
  N      -8.261332      7.212803      0.482684
  C      -8.290782      5.931498      0.005783
  C      -9.298512      5.560968     -0.917163
  C      -9.310552      4.282195     -1.428527
  C      -8.317124      3.369223     -1.007731
  N      -7.373311      3.663065     -0.128098
  C      -7.346543      4.922176      0.375509
  C      -6.563585      1.604243      6.514773
  C      -7.180382      2.929065      7.007503
  C      -8.437679      3.293570      6.236666
  O      -8.042367      3.973586      5.014437
  C      -8.939324      3.885492      3.988143
  C      -9.773287      4.940900      3.677909
  C     -10.661483      4.818413      2.585982
  N     -10.755534      3.752145      1.806788
  C      -9.903452      2.719640      2.070224
  C      -9.899738      1.584516      1.221867
  C      -8.987710      0.579514      1.448712
  C      -8.100526      0.692311      2.545695
  N      -8.097388      1.709727      3.390253
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  H      -2.407235     -1.788649      4.502359
  H      -3.685462     -0.852526      3.712224
  H      -0.749323     -0.185617      3.194413
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  H      -1.596423      0.654708      1.045102
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  H      -3.719023      4.887206     -2.219712
  H      -2.219321      4.237320     -0.325471
  H      -2.697406      5.400099      4.354193
  H      -3.787157      5.578184      5.726245
  H      -5.320036      5.738516      4.072912
  H      -5.404233      3.989332      4.260727
  H      -3.692313      3.731676      2.405824
  H      -3.799423      5.490158      2.114282
  H      -5.477425      6.971248      2.389160
  H      -7.225049      8.535401      1.667501
  H     -10.039180      6.310690     -1.200264
  H     -10.072800      3.964016     -2.141410
  H      -8.287025      2.355569     -1.419874
  H      -7.094081      0.764396      7.009079
  H      -6.735855      1.521113      5.434214
  H      -6.452953      3.746582      6.874757
  H      -7.418896      2.882503      8.081612
  H      -9.085236      3.979258      6.809197
  H      -9.022383      2.393773      5.983213
  H      -9.741051      5.856987      4.268533
  H     -11.329754      5.652327      2.349225
  H     -10.602478      1.559413      0.387509
  H      -8.928759     -0.291335      0.793927
  H      -7.351004     -0.085560      2.725624
  N      -4.709491      1.696148      3.975356
99
Coordinates from ORCA-job orca E -6428.944813676336
  N      -2.525660      0.239361      5.099801
  Mo     -3.769913      1.776059      5.363665
  N      -5.130504      1.466352      6.768470
  C      -4.760870      1.446745      8.178560
  C      -3.310791      1.006920      8.370848
  N      -2.428242      1.718673      7.441244
  C      -1.214448      0.992381      7.060391
  C      -1.545961     -0.150828      6.110600
  C      -2.201762      3.133763      7.752457
  C      -2.007231      3.926301      6.461468
  N      -3.080826      3.657860      5.496579
  H      -0.603316     -0.480701      5.632515
  H      -1.918749     -1.031861      6.672847
  H      -0.560590      1.706126      6.538869
  H      -0.659198      0.614655      7.941799
  H      -1.991271      4.999328      6.721301
  H      -1.015434      3.708242      6.020293
  H      -3.099724      3.513293      8.260113
  H      -1.341736      3.273306      8.438095
  H      -5.413869      0.742508      8.729843
  H      -4.922743      2.439933      8.644464
  H      -3.234470     -0.064300      8.134942
  H      -3.001719      1.142964      9.426272
  C      -2.639671     -0.783284      4.054310
  C      -1.724748     -0.531400      2.845039
  C      -2.310035      0.453420      1.849651
  O      -3.474565     -0.209657      1.293470
  C      -4.245818      0.285373      0.311669
  C      -5.296735     -0.537620     -0.086476
  C      -6.137488     -0.153421     -1.139034
  N      -6.026438      0.977769     -1.824930
  C      -5.025504      1.815816     -1.436429
  C      -4.880270      3.050791     -2.114603
  C      -3.890395      3.927562     -1.736059
  C      -3.035412      3.563911     -0.672788
  N      -3.119441      2.420400     -0.014094
  C      -4.095748      1.541324     -0.371017
  C      -3.546000      4.904578      4.886097
  C      -4.756825      4.810994      3.958235
  C      -4.353363      4.586186      2.508312
  O      -5.468753      4.293591      1.639508
  C      -6.294488      5.282252      1.273712
  C      -6.221641      6.610069      1.678138
  C      -7.198292      7.522010      1.227833
  N      -8.196878      7.240681      0.405310
  C      -8.253152      5.952066     -0.049718
  C      -9.259180      5.591180     -0.978254
  C      -9.299649      4.303590     -1.465235
  C      -8.337040      3.372664     -1.013823
  N      -7.395275      3.657634     -0.128998
  C      -7.339600      4.925794      0.349607
  C      -6.566114      1.558568      6.534694
  C      -7.206058      2.865806      7.044695
  C      -8.456923      3.228149      6.261510
  O      -8.058510      3.966915      5.073607
  C      -8.928618      3.888161      4.023845
  C      -9.719970      4.965922      3.679182
  C     -10.585508      4.857781      2.567730
  N     -10.696775      3.784645      1.800289
  C      -9.880520      2.731633      2.093497
  C      -9.887280      1.590658      1.253977
  C      -8.999747      0.568749      1.502342
  C      -8.128578      0.671086      2.612813
  N      -8.122761      1.691372      3.453453
  C      -8.969656      2.722288      3.197791
  H      -2.394557     -1.766863      4.495267
  H      -3.680372     -0.835800      3.710278
  H      -0.751231     -0.145561      3.188458
  H      -1.528970     -1.482536      2.323001
  H      -1.604030      0.693338      1.044803
  H      -2.628279      1.388311      2.328335
  H      -5.443808     -1.490679      0.422981
  H      -6.948970     -0.825352     -1.439729
  H      -5.581913      3.276009     -2.918849
  H      -3.763158      4.890648     -2.231537
  H      -2.247440      4.251403     -0.346572
  H      -2.707682      5.385626      4.339030
  H      -3.793292      5.603922      5.707485
  H      -5.328137      5.743223      4.054529
  H      -5.425131      3.996751      4.267452
  H      -3.720708      3.694978      2.419963
  H      -3.799168      5.451275      2.104162
  H      -5.440387      6.964168      2.347218
  H      -7.141929      8.557742      1.580775
  H      -9.975473      6.355238     -1.284767
  H     -10.061594      3.991605     -2.181105
  H      -8.331285      2.351187     -1.406093
  H      -7.081313      0.702793      7.017859
  H      -6.739511      1.487495      5.453281
  H      -6.488290      3.695481      6.936823
  H      -7.457325      2.797402      8.114632
  H      -9.131814      3.877172      6.844686
  H      -9.014207      2.325073      5.963326
  H      -9.673530      5.886859      4.261540
  H     -11.222072      5.708676      2.305955
  H     -10.574751      1.575675      0.406768
  H      -8.946469     -0.306051      0.853614
  H      -7.393843     -0.117564      2.807938
  N      -4.718356      1.694972      3.988961
99
Coordinates from ORCA-job orca E -6428.945257155715
  N      -2.527859      0.256705      5.095111
  Mo     -3.784407      1.779714      5.376630
  N      -5.129742      1.439329      6.788585
  C      -4.751074      1.411341      8.196561
  C      -3.293937      0.988845      8.373744
  N      -2.430408      1.720420      7.441078
  C      -1.208274      1.015599      7.048287
  C      -1.531657     -0.126757      6.094289
  C      -2.223408      3.136380      7.763353
  C      -2.049083      3.946659      6.480352
  N      -3.118809      3.670601      5.514587
  H      -0.589904     -0.439446      5.604852
  H      -1.888765     -1.016476      6.652245
  H      -0.569460      1.741797      6.525204
  H      -0.641430      0.642667      7.924359
  H      -2.053972      5.016485      6.755791
  H      -1.053245      3.755367      6.035447
  H      -3.123210      3.498514      8.280125
  H      -1.361278      3.281363      8.444990
  H      -5.392101      0.693646      8.744087
  H      -4.921888      2.398104      8.672738
  H      -3.205543     -0.079154      8.128132
  H      -2.976879      1.121266      9.427205
  C      -2.634572     -0.761399      4.045548
  C      -1.722133     -0.501013      2.836214
  C      -2.317778      0.479609      1.842974
  O      -3.474630     -0.196650      1.285133
  C      -4.252346      0.295809      0.306279
  C      -5.300173     -0.533989     -0.086453
  C      -6.148465     -0.155516     -1.134790
  N      -6.046317      0.975513     -1.821696
  C      -5.048279      1.819870     -1.437661
  C      -4.915440      3.054437     -2.118388
  C      -3.930819      3.938607     -1.742917
  C      -3.068760      3.581815     -0.682338
  N      -3.140355      2.439045     -0.023549
  C      -4.112506      1.551957     -0.376536
  C      -3.574248      4.909357      4.883099
  C      -4.785166      4.807927      3.955826
  C      -4.379711      4.561909      2.509684
  O      -5.496386      4.272381      1.641594
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  C      -7.144012      7.531850      1.142232
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  C      -8.217769      5.960772     -0.119057
  C      -9.216986      5.606844     -1.057458
  C      -9.284432      4.310133     -1.516241
  C      -8.356720      3.364236     -1.025859
  N      -7.422715      3.641941     -0.130597
  C      -7.339282      4.919508      0.318837
  C      -6.568052      1.506130      6.564757
  C      -7.231992      2.793555      7.095604
  C      -8.476168      3.157289      6.301539
  O      -8.074418      3.953697      5.151361
  C      -8.906794      3.892248      4.072010
  C      -9.640107      4.998798      3.688527
  C     -10.471011      4.915771      2.549014
  N     -10.603918      3.839626      1.788899
  C      -9.837883      2.758919      2.116069
  C      -9.858706      1.614491      1.282060
  C      -9.008427      0.567559      1.555595
  C      -8.161128      0.650094      2.685529
  N      -8.150795      1.670414      3.525294
  C      -8.961306      2.724245      3.247497
  H      -2.384738     -1.745721      4.482626
  H      -3.675118     -0.817904      3.701644
  H      -0.751945     -0.106467      3.178462
  H      -1.519090     -1.450819      2.315109
  H      -1.613265      0.729099      1.038838
  H      -2.645853      1.410735      2.323255
  H      -5.439017     -1.487504      0.423895
  H      -6.957609     -0.832086     -1.431649
  H      -5.621975      3.273740     -2.920473
  H      -3.814140      4.901940     -2.239759
  H      -2.285711      4.276237     -0.358813
  H      -2.733095      5.376015      4.326753
  H      -3.816008      5.624366      5.692736
  H      -5.352013      5.744724      4.037166
  H      -5.456911      4.000028      4.274572
  H      -3.756739      3.662279      2.436079
  H      -3.815850      5.415850      2.094995
  H      -5.417199      6.953099      2.299478
  H      -7.065972      8.573288      1.474249
  H      -9.905498      6.383717     -1.393818
  H     -10.042037      4.002063     -2.238208
  H      -8.372754      2.334878     -1.395414
  H      -7.064007      0.633084      7.036797
  H      -6.746167      1.448078      5.482761
  H      -6.524175      3.635582      7.017091
  H      -7.496632      2.699553      8.160338
  H      -9.175497      3.770281      6.895121
  H      -9.006916      2.255337      5.957576
  H      -9.576391      5.922069      4.265558
  H     -11.061739      5.790349      2.258553
  H     -10.523313      1.616865      0.416661
  H      -8.965638     -0.310002      0.911051
  H      -7.450397     -0.155118      2.898486
  N      -4.735221      1.687524      4.004105
99
Coordinates from ORCA-job orca E -6428.945658323544
  N      -2.521197      0.268725      5.095044
  Mo     -3.793744      1.777845      5.387934
  N      -5.127255      1.414369      6.805844
  C      -4.742368      1.384520      8.211916
  C      -3.279127      0.978559      8.380902
  N      -2.430072      1.724335      7.445192
  C      -1.200875      1.036907      7.044020
  C      -1.515384     -0.106428      6.087820
  C      -2.239815      3.140666      7.773476
  C      -2.083900      3.962511      6.495697
  N      -3.151388      3.675514      5.530441
  H      -0.573722     -0.407789      5.592001
  H      -1.862133     -1.000911      6.644716
  H      -0.574181      1.772874      6.519505
  H      -0.624929      0.668854      7.916361
  H      -2.108124      5.029695      6.780683
  H      -1.085458      3.793763      6.046884
  H      -3.140938      3.487900      8.297915
  H      -1.375040      3.293288      8.449989
  H      -5.373473      0.657612      8.758603
  H      -4.921785      2.367251      8.693239
  H      -3.178287     -0.087586      8.132598
  H      -2.957733      1.113192      9.432794
  C      -2.619335     -0.744555      4.041407
  C      -1.709195     -0.473024      2.832848
  C      -2.313538      0.504999      1.842408
  O      -3.467925     -0.178300      1.287529
  C      -4.255289      0.310933      0.314662
  C      -5.306270     -0.521947     -0.063555
  C      -6.164538     -0.149481     -1.105606
  N      -6.069103      0.978193     -1.799290
  C      -5.068465      1.825075     -1.428550
  C      -4.943715      3.056514     -2.117446
  C      -3.957102      3.943940     -1.755728
  C      -3.084343      3.592970     -0.701369
  N      -3.147625      2.453667     -0.036658
  C      -4.122732      1.563237     -0.375456
  C      -3.595108      4.907389      4.875593
  C      -4.803734      4.798308      3.946120
  C      -4.393234      4.538160      2.504055
  O      -5.513225      4.258538      1.637005
  C      -6.290425      5.269150      1.226858
  C      -6.163648      6.605665      1.589640
  C      -7.082546      7.548420      1.084642
  N      -8.073094      7.286541      0.245356
  C      -8.182894      5.985681     -0.163817
  C      -9.182668      5.643064     -1.105829
  C      -9.277132      4.342166     -1.547585
  C      -8.376873      3.381469     -1.035726
  N      -7.444346      3.648315     -0.135524
  C      -7.333479      4.929595      0.295913
  C      -6.567181      1.464294      6.586548
  C      -7.245132      2.744249      7.119726
  C      -8.486228      3.106527      6.319394
  O      -8.085134      3.928652      5.186334
  C      -8.897477      3.877393      4.092419
  C      -9.588714      5.002797      3.686360
  C     -10.400609      4.937359      2.531880
  N     -10.555706      3.860105      1.777791
  C      -9.828339      2.759711      2.126117
  C      -9.868362      1.611743      1.298327
  C      -9.047731      0.545301      1.586854
  C      -8.212354      0.612531      2.726476
  N      -8.189295      1.635019      3.562741
  C      -8.970526      2.707100      3.271564
  H      -2.364778     -1.729951      4.473275
  H      -3.659062     -0.805600      3.695834
  H      -0.741322     -0.072143      3.174362
  H      -1.499568     -1.419841      2.309384
  H      -1.612700      0.758274      1.036512
  H      -2.643652      1.435091      2.323540
  H      -5.439552     -1.472645      0.453494
  H      -6.976450     -0.827738     -1.391132
  H      -5.658197      3.269820     -2.913899
  H      -3.846621      4.904618     -2.259339
  H      -2.298584      4.289640     -0.389316
  H      -2.748063      5.359547      4.315290
  H      -3.835131      5.635973      5.674108
  H      -5.372804      5.736029      4.014922
  H      -5.475430      3.991800      4.271735
  H      -3.781255      3.630038      2.438051
  H      -3.817646      5.382700      2.085163
  H      -5.380211      6.943138      2.265119
  H      -6.982441      8.591961      1.403544
  H      -9.848895      6.431753     -1.459368
  H     -10.034512      4.042584     -2.273334
  H      -8.413371      2.347811     -1.391302
  H      -7.051315      0.585120      7.058988
  H      -6.748100      1.405309      5.504655
  H      -6.542239      3.591542      7.053222
  H      -7.517313      2.641673      8.181855
  H      -9.196417      3.703374      6.916112
  H      -9.003741      2.205392      5.955214
  H      -9.508339      5.927380      4.259464
  H     -10.956339      5.828456      2.224064
  H     -10.521400      1.626628      0.424417
  H      -9.018407     -0.335701      0.945277
  H      -7.522066     -0.207407      2.949972
  N      -4.746229      1.681945      4.016878
99
Coordinates from ORCA-job orca E -6428.946034716093
  N      -2.523152      0.274706      5.091890
  Mo     -3.811260      1.770863      5.397032
  N      -5.127538      1.390973      6.829021
  C      -4.732239      1.362884      8.231735
  C      -3.263880      0.970502      8.390235
  N      -2.430901      1.725629      7.447712
  C      -1.197912      1.052745      7.034163
  C      -1.507873     -0.092105      6.077842
  C      -2.254235      3.143263      7.776568
  C      -2.121832      3.972011      6.500598
  N      -3.190856      3.673888      5.540052
  H      -0.567997     -0.385653      5.574715
  H      -1.845587     -0.989048      6.636517
  H      -0.583229      1.796485      6.506430
  H      -0.610950      0.688793      7.900914
  H      -2.161967      5.037494      6.791144
  H      -1.124346      3.821894      6.043195
  H      -3.152856      3.477968      8.313089
  H      -1.383016      3.306286      8.442170
  H      -5.354135      0.630970      8.782001
  H      -4.915895      2.343679      8.715533
  H      -3.153222     -0.094818      8.143014
  H      -2.935204      1.110477      9.438965
  C      -2.616247     -0.733016      4.033579
  C      -1.703971     -0.456169      2.827133
  C      -2.306612      0.524558      1.838479
  O      -3.467198     -0.153098      1.288973
  C      -4.255306      0.336541      0.317029
  C      -5.315109     -0.490791     -0.049715
  C      -6.178163     -0.116536     -1.086916
  N      -6.079681      1.007657     -1.786108
  C      -5.071084      1.848636     -1.425804
  C      -4.944110      3.077978     -2.120030
  C      -3.950686      3.960890     -1.768496
  C      -3.071547      3.606875     -0.719284
  N      -3.136076      2.469863     -0.050815
  C      -4.119431      1.584167     -0.379170
  C      -3.628104      4.900938      4.868626
  C      -4.833400      4.784764      3.936111
  C      -4.416554      4.517992      2.497330
  O      -5.537252      4.243781      1.629620
  C      -6.294326      5.262525      1.201871
  C      -6.148229      6.600586      1.551286
  C      -7.043125      7.554347      1.024222
  N      -8.029444      7.299767      0.177805
  C      -8.160172      5.995625     -0.214268
  C      -9.157630      5.658923     -1.161067
  C      -9.271842      4.354258     -1.586966
  C      -8.394731      3.384320     -1.054051
  N      -7.466423      3.645755     -0.148108
  C      -7.335265      4.929942      0.267144
  C      -6.570035      1.428424      6.621184
  C      -7.250439      2.708179      7.153486
  C      -8.490738      3.076031      6.355089
  O      -8.086871      3.903436      5.227013
  C      -8.878565      3.860567      4.119873
  C      -9.530842      5.002858      3.694637
  C     -10.322262      4.955988      2.525214
  N     -10.495191      3.880127      1.773121
  C      -9.805348      2.760813      2.140164
  C      -9.864474      1.610104      1.316332
  C      -9.079961      0.521582      1.621620
  C      -8.260808      0.570305      2.773892
  N      -8.222032      1.595581      3.606739
  C      -8.969090      2.688493      3.301089
  H      -2.364472     -1.721187      4.460392
  H      -3.654549     -0.792177      3.682860
  H      -0.734813     -0.058146      3.168952
  H      -1.495563     -1.401116      2.299770
  H      -1.607866      0.771990      1.028976
  H      -2.626668      1.458392      2.319876
  H      -5.451339     -1.437307      0.473992
  H      -6.997466     -0.789298     -1.363212
  H      -5.663916      3.291713     -2.911663
  H      -3.838674      4.919469     -2.276741
  H      -2.278894      4.299301     -0.416450
  H      -2.776761      5.346103      4.309449
  H      -3.870965      5.635067      5.661527
  H      -5.408572      5.720131      3.996044
  H      -5.501268      3.976492      4.265582
  H      -3.809906      3.606549      2.435180
  H      -3.834965      5.358036      2.078356
  H      -5.366281      6.931198      2.231877
  H      -6.927043      8.599794      1.331097
  H      -9.805421      6.455003     -1.531649
  H     -10.026031      4.059453     -2.317924
  H      -8.445443      2.346570     -1.395813
  H      -7.042937      0.548292      7.102580
  H      -6.760361      1.362497      5.542064
  H      -6.545806      3.554040      7.089701
  H      -7.524466      2.604305      8.215042
  H      -9.197479      3.673146      6.955271
  H      -9.010038      2.179587      5.985229
  H      -9.437327      5.926924      4.266337
  H     -10.844933      5.862481      2.202952
  H     -10.504607      1.639033      0.433226
  H      -9.069113     -0.363255      0.984303
  H      -7.600513     -0.268395      3.012091
  N      -4.774539      1.671567      4.033084
99
Coordinates from ORCA-job orca E -6428.946334042356
  N      -2.516587      0.287137      5.091556
  Mo     -3.820639      1.767814      5.406633
  N      -5.127903      1.369379      6.842098
  C      -4.727634      1.342097      8.242796
  C      -3.254074      0.966389      8.395311
  N      -2.432415      1.733814      7.452909
  C      -1.193796      1.077126      7.029611
  C      -1.493265     -0.068576      6.071554
  C      -2.270150      3.152100      7.785331
  C      -2.151977      3.987014      6.512135
  N      -3.217317      3.674954      5.551207
  H      -0.550796     -0.349127      5.563712
  H      -1.814754     -0.971532      6.630999
  H      -0.591330      1.830853      6.502067
  H      -0.597354      0.716489      7.891099
  H      -2.210450      5.051031      6.805340
  H      -1.153117      3.855804      6.050947
  H      -3.170486      3.473685      8.327310
  H      -1.398162      3.324630      8.447526
  H      -5.338234      0.601298      8.794148
  H      -4.921926      2.319144      8.730232
  H      -3.131829     -0.096939      8.144750
  H      -2.923527      1.106758      9.443453
  C      -2.607488     -0.719347      4.031528
  C      -1.694470     -0.437158      2.826669
  C      -2.301123      0.539159      1.836075
  O      -3.456142     -0.145116      1.285021
  C      -4.255727      0.341145      0.321253
  C      -5.316737     -0.487957     -0.036319
  C      -6.186875     -0.116973     -1.068850
  N      -6.096097      1.006404     -1.770910
  C      -5.087546      1.849582     -1.419287
  C      -4.966324      3.079841     -2.114328
  C      -3.970098      3.963474     -1.773676
  C      -3.080375      3.609231     -0.734083
  N      -3.140062      2.471616     -0.063229
  C      -4.126808      1.587429     -0.379867
  C      -3.644504      4.895263      4.859646
  C      -4.846788      4.773533      3.923521
  C      -4.426840      4.495846      2.488181
  O      -5.548927      4.235975      1.617835
  C      -6.283076      5.267102      1.178907
  C      -6.114382      6.603348      1.522601
  C      -6.989101      7.570223      0.985206
  N      -7.975823      7.329513      0.135813
  C      -8.130486      6.025988     -0.248546
  C      -9.131980      5.700576     -1.195138
  C      -9.270431      4.394735     -1.610737
  C      -8.412826      3.411950     -1.068679
  N      -7.481036      3.664431     -0.163988
  C      -7.326593      4.948709      0.242005
  C      -6.570747      1.395037      6.636561
  C      -7.259634      2.670510      7.167586
  C      -8.496762      3.038056      6.365010
  O      -8.090524      3.882878      5.250535
  C      -8.869662      3.845764      4.135309
  C      -9.492039      4.999036      3.696265
  C     -10.270060      4.962611      2.518186
  N     -10.456095      3.886570      1.769798
  C      -9.795258      2.755176      2.151492
  C      -9.867662      1.602037      1.331488
  C      -9.111372      0.498688      1.651549
  C      -8.309825      0.534352      2.816604
  N      -8.258964      1.563209      3.645323
  C      -8.976475      2.670886      3.323516
  H      -2.353484     -1.707521      4.457007
  H      -3.645185     -0.780083      3.679394
  H      -0.727055     -0.035032      3.169576
  H      -1.479780     -1.379970      2.297079
  H      -1.603530      0.791398      1.028266
  H      -2.629054      1.470116      2.317423
  H      -5.447840     -1.433421      0.491008
  H      -7.006434     -0.791786     -1.337763
  H      -5.693345      3.293107     -2.898947
  H      -3.861998      4.922615     -2.282980
  H      -2.283218      4.300574     -0.441328
  H      -2.786629      5.325437      4.299955
  H      -3.886461      5.641704      5.640617
  H      -5.422709      5.708862      3.974832
  H      -5.515447      3.967914      4.258456
  H      -3.833406      3.576038      2.429038
  H      -3.829891      5.325606      2.071182
  H      -5.332019      6.923766      2.207305
  H      -6.856012      8.615058      1.286347
  H      -9.764156      6.505416     -1.573769
  H     -10.027763      4.109128     -2.342248
  H      -8.483025      2.371992     -1.401794
  H      -7.034660      0.512235      7.121624
  H      -6.762736      1.324247      5.558879
  H      -6.557342      3.518228      7.109692
  H      -7.538463      2.561857      8.227221
  H      -9.211838      3.623977      6.966138
  H      -9.006173      2.142181      5.980676
  H      -9.386872      5.923488      4.265109
  H     -10.770569      5.877663      2.185439
  H     -10.494826      1.641255      0.439566
  H      -9.110093     -0.389276      1.017221
  H      -7.672723     -0.318399      3.067893
  N      -4.791249      1.666650      4.048075
99
Coordinates from ORCA-job orca E -6428.946603424170
  N      -2.520827      0.293746      5.086570
  Mo     -3.834816      1.765128      5.412172
  N      -5.126389      1.355627      6.860858
  C      -4.715120      1.330342      8.258026
  C      -3.238084      0.965049      8.399096
  N      -2.430357      1.737342      7.449540
  C      -1.190542      1.089962      7.015563
  C      -1.490407     -0.057100      6.060043
  C      -2.275307      3.156680      7.782285
  C      -2.177939      3.996014      6.510577
  N      -3.246100      3.675833      5.555572
  H      -0.550005     -0.334513      5.546426
  H      -1.804340     -0.960443      6.623277
  H      -0.597238      1.848659      6.485068
  H      -0.585193      0.731740      7.871711
  H      -2.246278      5.058707      6.806681
  H      -1.182480      3.877430      6.038835
  H      -3.171402      3.469498      8.336450
  H      -1.397052      3.335828      8.434336
  H      -5.316221      0.585241      8.813923
  H      -4.912418      2.305651      8.747918
  H      -3.110424     -0.097815      8.149414
  H      -2.899649      1.109855      9.444160
  C      -2.612216     -0.709167      4.025547
  C      -1.701368     -0.421856      2.820614
  C      -2.310792      0.559733      1.836298
  O      -3.476195     -0.113335      1.295154
  C      -4.268842      0.373890      0.326018
  C      -5.333334     -0.449346     -0.034335
  C      -6.195842     -0.075178     -1.071701
  N      -6.093750      1.045430     -1.776630
  C      -5.082157      1.883121     -1.422441
  C      -4.948770      3.111504     -2.118544
  C      -3.948543      3.989215     -1.774502
  C      -3.065836      3.631048     -0.730568
  N      -3.137385      2.495281     -0.057901
  C      -4.128531      1.617566     -0.377598
  C      -3.676492      4.893873      4.861524
  C      -4.870991      4.765363      3.916851
  C      -4.442132      4.477354      2.486001
  O      -5.559892      4.223767      1.607721
  C      -6.273628      5.261546      1.149558
  C      -6.088569      6.597909      1.482754
  C      -6.943187      7.572879      0.927099
  N      -7.926562      7.338905      0.071830
  C      -8.099734      6.034022     -0.299392
  C      -9.103051      5.713799     -1.246430
  C      -9.262597      4.405391     -1.645540
  C      -8.423366      3.415030     -1.087444
  N      -7.489478      3.663377     -0.183603
  C      -7.315029      4.949498      0.207447
  C      -6.572220      1.368465      6.672839
  C      -7.258782      2.646783      7.200463
  C      -8.497854      3.019473      6.403173
  O      -8.087240      3.845804      5.276517
  C      -8.854733      3.811831      4.154659
  C      -9.440322      4.978305      3.698302
  C     -10.204641      4.955968      2.511771
  N     -10.411684      3.880597      1.768627
  C      -9.787788      2.734448      2.167620
  C      -9.883578      1.579112      1.353928
  C      -9.164575      0.454844      1.689767
  C      -8.376693      0.473956      2.864146
  N      -8.304304      1.506690      3.686302
  C      -8.985202      2.633761      3.349951
  H      -2.357761     -1.699284      4.446289
  H      -3.649918     -0.767789      3.673672
  H      -0.732869     -0.021688      3.162334
  H      -1.488587     -1.361902      2.285522
  H      -1.619246      0.809585      1.022556
  H      -2.627455      1.491887      2.323801
  H      -5.472910     -1.391887      0.495899
  H      -7.018542     -0.744949     -1.342772
  H      -5.670373      3.327562     -2.907345
  H      -3.830782      4.946249     -2.284825
  H      -2.264415      4.317179     -0.436875
  H      -2.816458      5.327501      4.309393
  H      -3.929146      5.637590      5.641453
  H      -5.446455      5.700985      3.956455
  H      -5.540648      3.962915      4.254815
  H      -3.856352      3.552036      2.435528
  H      -3.834666      5.300548      2.071246
  H      -5.308954      6.912747      2.173230
  H      -6.797127      8.618809      1.218456
  H      -9.720978      6.524038     -1.637880
  H     -10.022262      4.123704     -2.377230
  H      -8.511220      2.372276     -1.405516
  H      -7.022169      0.487658      7.174185
  H      -6.778191      1.284316      5.599344
  H      -6.552320      3.490648      7.136692
  H      -7.534681      2.542477      8.261416
  H      -9.197565      3.623476      7.004128
  H      -9.022805      2.127016      6.032456
  H      -9.316957      5.903591      4.261884
  H     -10.675513      5.882187      2.166905
  H     -10.497602      1.632582      0.453825
  H      -9.183126     -0.437085      1.061219
  H      -7.767695     -0.397029      3.128617
  N      -4.815225      1.662631      4.061529
99
Coordinates from ORCA-job orca E -6428.946860032991
  N      -2.529673      0.306156      5.080176
  Mo     -3.854454      1.763375      5.421989
  N      -5.131002      1.336193      6.879341
  C      -4.709339      1.308793      8.273325
  C      -3.228449      0.956729      8.401790
  N      -2.435516      1.740574      7.450192
  C      -1.193130      1.107254      7.003099
  C      -1.489804     -0.038877      6.045342
  C      -2.293045      3.160151      7.787439
  C      -2.212025      4.006102      6.519287
  N      -3.278038      3.677835      5.564099
  H      -0.549855     -0.305444      5.525597
  H      -1.790149     -0.947497      6.607486
  H      -0.611619      1.874510      6.471901
  H      -0.577166      0.750763      7.852521
  H      -2.293774      5.066378      6.820569
  H      -1.216658      3.903886      6.043495
  H      -3.188327      3.460913      8.349483
  H      -1.412775      3.345798      8.434949
  H      -5.299150      0.555415      8.830241
  H      -4.912478      2.279959      8.769186
  H      -3.093603     -0.103746      8.145658
  H      -2.883679      1.099067      9.445133
  C      -2.619854     -0.694918      4.016616
  C      -1.707525     -0.405523      2.813069
  C      -2.315497      0.579032      1.830670
  O      -3.479408     -0.093373      1.285632
  C      -4.269888      0.392047      0.313732
  C      -5.336216     -0.430073     -0.043773
  C      -6.198818     -0.058143     -1.082162
  N      -6.096199      1.059855     -1.790265
  C      -5.083939      1.898071     -1.438471
  C      -4.952852      3.126144     -2.134380
  C      -3.952064      4.004327     -1.792175
  C      -3.066324      3.647066     -0.750542
  N      -3.136957      2.512130     -0.076226
  C      -4.128485      1.634281     -0.393623
  C      -3.707755      4.891676      4.862809
  C      -4.899758      4.758770      3.915894
  C      -4.467731      4.460668      2.488563
  O      -5.581751      4.214354      1.604261
  C      -6.276724      5.257990      1.130251
  C      -6.073496      6.594835      1.451128
  C      -6.905982      7.576890      0.875196
  N      -7.883649      7.349161      0.012154
  C      -8.075586      6.042719     -0.345488
  C      -9.074447      5.727093     -1.298307
  C      -9.253397      4.416233     -1.681505
  C      -8.437861      3.418518     -1.102399
  N      -7.507508      3.663246     -0.194635
  C      -7.314546      4.951688      0.181964
  C      -6.578563      1.339270      6.704435
  C      -7.265712      2.615135      7.237574
  C      -8.499180      2.995670      6.436429
  O      -8.076714      3.826252      5.317435
  C      -8.823726      3.798385      4.182753
  C      -9.368366      4.977013      3.704544
  C     -10.112040      4.965545      2.505144
  N     -10.334772      3.889251      1.767239
  C      -9.749127      2.730162      2.187406
  C      -9.861164      1.571366      1.380654
  C      -9.183909      0.428987      1.740944
  C      -8.420443      0.435102      2.931377
  N      -8.332954      1.472607      3.745896
  C      -8.972621      2.616685      3.386134
  H      -2.364494     -1.685422      4.436593
  H      -3.657439     -0.753194      3.664468
  H      -0.740105     -0.005722      3.157299
  H      -1.493187     -1.343868      2.275653
  H      -1.622471      0.833692      1.019024
  H      -2.634619      1.508313      2.322461
  H      -5.477447     -1.370283      0.489866
  H      -7.022416     -0.728208     -1.351075
  H      -5.676805      3.342722     -2.921703
  H      -3.836331      4.961841     -2.301723
  H      -2.264454      4.333731     -0.459411
  H      -2.845765      5.320690      4.310114
  H      -3.961473      5.640934      5.636674
  H      -5.471112      5.696747      3.947363
  H      -5.572830      3.961496      4.257734
  H      -3.891159      3.530014      2.445617
  H      -3.849602      5.275497      2.074334
  H      -5.296486      6.904957      2.146615
  H      -6.745549      8.623789      1.155630
  H      -9.673565      6.542523     -1.706847
  H     -10.010493      4.138405     -2.416325
  H      -8.543017      2.373254     -1.407131
  H      -7.017863      0.455519      7.210616
  H      -6.793644      1.252451      5.632579
  H      -6.557069      3.457769      7.180446
  H      -7.545707      2.506013      8.296923
  H      -9.198644      3.600920      7.036362
  H      -9.025616      2.107915      6.058113
  H      -9.229706      5.903390      4.262989
  H     -10.552630      5.900997      2.144652
  H     -10.455374      1.635784      0.467991
  H      -9.218649     -0.467818      1.121787
  H      -7.848173     -0.452286      3.218556
  N      -4.846339      1.656658      4.080265
99
Coordinates from ORCA-job orca E -6428.947115809919
  N      -2.535640      0.318023      5.075415
  Mo     -3.867641      1.765272      5.428079
  N      -5.131696      1.324644      6.892349
  C      -4.700456      1.297130      8.283704
  C      -3.216059      0.957227      8.401589
  N      -2.435425      1.749509      7.446948
  C      -1.191450      1.125883      6.990708
  C      -1.487127     -0.020956      6.033187
  C      -2.302588      3.169221      7.786720
  C      -2.234506      4.018901      6.520414
  N      -3.299851      3.683306      5.566859
  H      -0.548121     -0.279715      5.508233
  H      -1.776002     -0.932842      6.595859
  H      -0.618613      1.898336      6.457505
  H      -0.567407      0.771992      7.835420
  H      -2.326007      5.077706      6.824448
  H      -1.239206      3.928040      6.041450
  H      -3.197111      3.461232      8.354882
  H      -1.420561      3.359128      8.430654
  H      -5.279517      0.536603      8.842325
  H      -4.909428      2.264905      8.783763
  H      -3.074931     -0.101447      8.141339
  H      -2.866309      1.098693      9.443474
  C      -2.626375     -0.684420      4.011994
  C      -1.715100     -0.395025      2.807613
  C      -2.323194      0.592717      1.828550
  O      -3.487795     -0.077757      1.281963
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  C      -5.335470     -0.415218     -0.059367
  C      -6.192018     -0.043914     -1.103262
  N      -6.088424      1.075638     -1.807983
  C      -5.082072      1.917211     -1.446798
  C      -4.954235      3.149392     -2.134983
  C      -3.959175      4.030558     -1.782679
  C      -3.075824      3.671553     -0.739858
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  C      -4.917023      4.754705      3.907351
  C      -4.474972      4.441081      2.486517
  O      -5.584277      4.203730      1.594753
  C      -6.259450      5.254055      1.107249
  C      -6.033066      6.590064      1.414241
  C      -6.844538      7.580327      0.822512
  N      -7.823156      7.360798     -0.041693
  C      -8.039183      6.054058     -0.383370
  C      -9.041897      5.745196     -1.334380
  C      -9.245813      4.432881     -1.699708
  C      -8.451452      3.427504     -1.104357
  N      -7.517162      3.666442     -0.199479
  C      -7.299998      4.955799      0.159656
  C      -6.580878      1.317032      6.729903
  C      -7.272926      2.589706      7.265271
  C      -8.503103      2.971153      6.459340
  O      -8.072438      3.798176      5.340701
  C      -8.809416      3.774650      4.199593
  C      -9.323471      4.961621      3.706568
  C     -10.058506      4.957554      2.501808
  N     -10.297975      3.880553      1.769689
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  C      -9.870399      1.550453      1.403862
  C      -9.230372      0.393174      1.784052
  C      -8.484120      0.389196      2.985204
  N      -8.377393      1.431471      3.790865
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  H      -2.368994     -1.674158      4.433019
  H      -3.664683     -0.743868      3.662204
  H      -0.747821      0.004382      3.152255
  H      -1.501086     -1.332481      2.269021
  H      -1.630292      0.850385      1.017949
  H      -2.641862      1.520023      2.324347
  H      -5.478026     -1.356767      0.471440
  H      -7.011232     -0.716446     -1.379314
  H      -5.675605      3.368289     -2.924210
  H      -3.846430      4.992293     -2.285112
  H      -2.278351      4.360088     -0.442009
  H      -2.867919      5.324177      4.311399
  H      -3.993028      5.646397      5.630354
  H      -5.483064      5.696880      3.925012
  H      -5.596724      3.964152      4.253133
  H      -3.910231      3.502458      2.455775
  H      -3.842117      5.245003      2.072219
  H      -5.253756      6.893377      2.110191
  H      -6.665656      8.627254      1.091036
  H      -9.623660      6.566245     -1.756455
  H     -10.006426      4.159960     -2.432495
  H      -8.577761      2.380563     -1.395140
  H      -7.008392      0.431707      7.242954
  H      -6.804169      1.223675      5.659673
  H      -6.565777      3.434185      7.213367
  H      -7.556868      2.476744      8.323020
  H      -9.201827      3.581987      7.055026
  H      -9.031942      2.084478      6.082162
  H      -9.167997      5.888744      4.259106
  H     -10.477311      5.899254      2.131244
  H     -10.451654      1.623395      0.483568
  H      -9.282273     -0.508563      1.174209
  H      -7.945869     -0.511886      3.291233
  N      -4.868285      1.654570      4.093151
99
Coordinates from ORCA-job orca E -6428.947373982081
  N      -2.545764      0.329088      5.070425
  Mo     -3.883822      1.766256      5.435868
  N      -5.134025      1.313826      6.908182
  C      -4.690322      1.287225      8.296344
  C      -3.202456      0.959558      8.401537
  N      -2.435387      1.759340      7.442175
  C      -1.191066      1.143461      6.975776
  C      -1.488689     -0.004730      6.019968
  C      -2.310757      3.179209      7.782990
  C      -2.254736      4.030491      6.517835
  N      -3.320998      3.686878      5.568534
  H      -0.551842     -0.258162      5.489343
  H      -1.768340     -0.918600      6.583930
  H      -0.626783      1.919196      6.438121
  H      -0.558190      0.792891      7.815442
  H      -2.353756      5.087924      6.823429
  H      -1.260247      3.948325      6.036320
  H      -3.204538      3.463800      8.355748
  H      -1.427308      3.372849      8.423739
  H      -5.257984      0.520117      8.857674
  H      -4.903989      2.252022      8.800069
  H      -3.055782     -0.097479      8.137646
  H      -2.846176      1.100853      9.441081
  C      -2.637736     -0.675726      4.007899
  C      -1.728624     -0.387055      2.801819
  C      -2.334070      0.605226      1.825775
  O      -3.500506     -0.058728      1.275104
  C      -4.274034      0.430205      0.291129
  C      -5.335743     -0.389081     -0.083701
  C      -6.181823     -0.014653     -1.135390
  N      -6.069433      1.105515     -1.837331
  C      -5.063934      1.944676     -1.465743
  C      -4.931046      3.178784     -2.147968
  C      -3.936285      4.056853     -1.785630
  C      -3.058910      3.692385     -0.739999
  N      -3.133850      2.552014     -0.075335
  C      -4.120641      1.675446     -0.410218
  C      -3.761479      4.894698      4.863700
  C      -4.939378      4.747027      3.902683
  C      -4.484953      4.420428      2.488866
  O      -5.586235      4.191271      1.585989
  C      -6.245366      5.245328      1.086526
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  C      -6.799246      7.576339      0.779299
  N      -7.778834      7.361608     -0.084621
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  C      -9.019174      5.749850     -1.360925
  C      -9.240921      4.436760     -1.712772
  C      -8.458941      3.426610     -1.108278
  N      -7.520528      3.661632     -0.207237
  C      -7.287047      4.951731      0.139458
  C      -6.584858      1.299742      6.760512
  C      -7.277889      2.572736      7.295197
  C      -8.501840      2.957660      6.481775
  O      -8.056706      3.770030      5.358535
  C      -8.790951      3.751899      4.215616
  C      -9.274764      4.945678      3.710268
  C     -10.007044      4.947626      2.504363
  N     -10.268317      3.870512      1.779999
  C      -9.739853      2.694336      2.225428
  C      -9.891856      1.530175      1.433474
  C      -9.287604      0.358773      1.830461
  C      -8.555081      0.345150      3.039790
  N      -8.423905      1.392663      3.835371
  C      -8.990042      2.563854      3.440087
  H      -2.376831     -1.663805      4.430765
  H      -3.677398     -0.737305      3.662529
  H      -0.761085      0.011274      3.147515
  H      -1.515918     -1.324223      2.262809
  H      -1.639438      0.863880      1.017581
  H      -2.649407      1.531530      2.324521
  H      -5.487105     -1.330624      0.444990
  H      -7.000346     -0.685161     -1.419329
  H      -5.646929      3.403180     -2.940234
  H      -3.819972      5.020861     -2.282571
  H      -2.260878      4.377681     -0.435753
  H      -2.898543      5.332007      4.316871
  H      -4.031004      5.645444      5.630954
  H      -5.502472      5.691537      3.906930
  H      -5.623853      3.961363      4.250296
  H      -3.931424      3.475047      2.470332
  H      -3.837495      5.214248      2.077463
  H      -5.222089      6.880487      2.078788
  H      -6.606855      8.623170      1.038273
  H      -9.590417      6.574591     -1.791163
  H     -10.006501      4.167079     -2.441284
  H      -8.601793      2.378676     -1.388016
  H      -7.003204      0.415749      7.282816
  H      -6.817590      1.197543      5.692830
  H      -6.569967      3.416939      7.247640
  H      -7.567794      2.458890      8.351040
  H      -9.196751      3.581588      7.068798
  H      -9.038223      2.072913      6.111252
  H      -9.096770      5.873932      4.254192
  H     -10.404096      5.894541      2.125186
  H     -10.462193      1.611172      0.506997
  H      -9.355516     -0.548219      1.227943
  H      -8.046005     -0.569935      3.360217
  N      -4.894858      1.653736      4.108589
99
Coordinates from ORCA-job orca E -6428.947611284435
  N      -2.555150      0.338034      5.065121
  Mo     -3.897855      1.767203      5.440775
  N      -5.133551      1.305431      6.922645
  C      -4.678593      1.280906      8.307650
  C      -3.187484      0.963512      8.401449
  N      -2.433111      1.768907      7.436217
  C      -1.189013      1.160099      6.959850
  C      -1.488696      0.009894      6.006585
  C      -2.316248      3.189525      7.776103
  C      -2.272695      4.041523      6.510866
  N      -3.340686      3.690576      5.566639
  H      -0.554629     -0.239284      5.468722
  H      -1.760165     -0.905094      6.572866
  H      -0.632856      1.938147      6.417017
  H      -0.547526      0.813421      7.794512
  H      -2.378241      5.098160      6.817826
  H      -1.279302      3.967028      6.025529
  H      -3.208949      3.467662      8.353980
  H      -1.430499      3.388766      8.412101
  H      -5.236611      0.509206      8.872494
  H      -4.895726      2.243875      8.813420
  H      -3.035397     -0.092495      8.136465
  H      -2.824707      1.106703      9.438544
  C      -2.650353     -0.668460      4.004171
  C      -1.741948     -0.383153      2.797189
  C      -2.343553      0.613695      1.824008
  O      -3.513986     -0.042941      1.271769
  C      -4.276482      0.450023      0.280453
  C      -5.331410     -0.369474     -0.111431
  C      -6.165466      0.009141     -1.171441
  N      -6.048206      1.134680     -1.864239
  C      -5.050483      1.974762     -1.474139
  C      -4.916593      3.215713     -2.144242
  C      -3.929201      4.094539     -1.764097
  C      -3.059684      3.722922     -0.714544
  N      -3.136529      2.576342     -0.060595
  C      -4.117843      1.699739     -0.411287
  C      -3.791060      4.895982      4.863661
  C      -4.960827      4.739774      3.894729
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  O      -5.589972      4.177034      1.576642
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  C      -8.470106      3.424849     -1.111746
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  C      -7.282277      2.553659      7.324777
  C      -8.500650      2.942722      6.505363
  O      -8.043012      3.741686      5.377583
  C      -8.773364      3.728909      4.232125
  C      -9.224699      4.929551      3.713217
  C      -9.950359      4.938850      2.503430
  N     -10.233220      3.862518      1.786041
  C      -9.736062      2.677897      2.244258
  C      -9.911541      1.511544      1.460415
  C      -9.345863      0.326787      1.874991
  C      -8.626592      0.303384      3.092328
  N      -8.470073      1.355214      3.877773
  C      -8.999166      2.538872      3.466450
  H      -2.391026     -1.656029      4.428947
  H      -3.690656     -0.728485      3.660741
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  H      -1.534392     -1.321143      2.257851
  H      -1.648013      0.870245      1.016006
  H      -2.652358      1.541330      2.324835
  H      -5.486734     -1.314931      0.409315
  H      -6.977590     -0.662253     -1.469969
  H      -5.625321      3.444948     -2.941094
  H      -3.812672      5.063823     -2.250999
  H      -2.265972      4.407506     -0.397765
  H      -2.930455      5.345108      4.322605
  H      -4.072460      5.641126      5.632264
  H      -5.522733      5.685303      3.885134
  H      -5.648777      3.957990      4.244256
  H      -3.950855      3.448406      2.480829
  H      -3.834506      5.183961      2.078412
  H      -5.188178      6.865148      2.043265
  H      -6.539886      8.617508      0.975299
  H      -9.549259      6.581031     -1.836877
  H     -10.004456      4.172295     -2.456103
  H      -8.630799      2.376204     -1.378660
  H      -6.994150      0.398382      7.317278
  H      -6.827270      1.174838      5.723204
  H      -6.574867      3.398682      7.285756
  H      -7.579259      2.434899      8.378056
  H      -9.191063      3.578318      7.085298
  H      -9.044098      2.060325      6.140261
  H      -9.025592      5.857992      4.249568
  H     -10.323268      5.891709      2.114800
  H     -10.471135      1.600070      0.527985
  H      -9.435112     -0.584195      1.281802
  H      -8.152112     -0.624426      3.428833
  N      -4.918540      1.649294      4.120979
99
Coordinates from ORCA-job orca E -6428.947842667644
  N      -2.563698      0.349057      5.058700
  Mo     -3.912677      1.769013      5.445420
  N      -5.133646      1.296917      6.936161
  C      -4.667910      1.272489      8.317659
  C      -3.173751      0.966371      8.400358
  N      -2.432380      1.778970      7.431125
  C      -1.188310      1.179434      6.944054
  C      -1.487634      0.027701      5.992162
  C      -2.325067      3.199900      7.771134
  C      -2.292726      4.052492      6.506020
  N      -3.361825      3.694549      5.566280
  H      -0.556414     -0.215718      5.446213
  H      -1.750561     -0.888976      6.559848
  H      -0.641651      1.960618      6.396258
  H      -0.537698      0.837070      7.773203
  H      -2.404115      5.108040      6.814419
  H      -1.300579      3.985026      6.017591
  H      -3.218197      3.470320      8.351877
  H      -1.438465      3.406474      8.403808
  H      -5.216264      0.495600      8.884557
  H      -4.888772      2.232774      8.826589
  H      -3.014685     -0.088018      8.133437
  H      -2.805132      1.111336      9.435164
  C      -2.661931     -0.659414      4.000155
  C      -1.752654     -0.380092      2.792448
  C      -2.344380      0.621635      1.818903
  O      -3.520555     -0.023309      1.264944
  C      -4.267158      0.470247      0.260990
  C      -5.318081     -0.347947     -0.145151
  C      -6.137643      0.032152     -1.216149
  N      -6.010738      1.159143     -1.905443
  C      -5.017281      1.997546     -1.500815
  C      -4.876324      3.240483     -2.166668
  C      -3.892505      4.117816     -1.774354
  C      -3.033187      3.741861     -0.717774
  N      -3.117908      2.594292     -0.066919
  C      -4.097628      1.719328     -0.428324
  C      -3.827329      4.898433      4.870017
  C      -4.983999      4.731578      3.887830
  C      -4.498143      4.383949      2.489788
  O      -5.583484      4.158951      1.567227
  C      -6.216596      5.216166      1.043714
  C      -5.944922      6.552029      1.315386
  C      -6.712639      7.553535      0.686086
  N      -7.693215      7.343506     -0.178592
  C      -7.957405      6.035213     -0.478662
  C      -8.972857      5.735831     -1.419710
  C      -9.227873      4.421645     -1.742770
  C      -8.470429      3.406615     -1.116296
  N      -7.526179      3.636255     -0.219665
  C      -7.260910      4.927185      0.099184
  C      -6.586503      1.265258      6.812694
  C      -7.288090      2.529811      7.358021
  C      -8.501332      2.925948      6.534997
  O      -8.031552      3.716698      5.406173
  C      -8.764561      3.717894      4.262693
  C      -9.192043      4.926894      3.742899
  C      -9.917820      4.949415      2.533772
  N     -10.222515      3.878487      1.817655
  C      -9.750416      2.684056      2.276990
  C      -9.953202      1.519957      1.495824
  C      -9.420216      0.322201      1.915683
  C      -8.703966      0.284357      3.134508
  N      -8.518145      1.335615      3.915007
  C      -9.017084      2.531334      3.499616
  H      -2.406193     -1.646659      4.427649
  H      -3.702687     -0.716828      3.657470
  H      -0.778480      0.004619      3.136428
  H      -1.553857     -1.320502      2.253724
  H      -1.645585      0.870505      1.011274
  H      -2.643121      1.553417      2.318254
  H      -5.481844     -1.293582      0.372564
  H      -6.945868     -0.638622     -1.526552
  H      -5.577066      3.471717     -2.970062
  H      -3.770994      5.088041     -2.257938
  H      -2.240299      4.423791     -0.392715
  H      -2.970695      5.367952      4.340698
  H      -4.127946      5.631040      5.643790
  H      -5.550519      5.674045      3.864466
  H      -5.672370      3.948575      4.233568
  H      -3.956564      3.432158      2.494648
  H      -3.831469      5.164615      2.085108
  H      -5.162079      6.845712      2.011769
  H      -6.494853      8.600477      0.924005
  H      -9.522729      6.565111     -1.868186
  H     -10.000548      4.154921     -2.465912
  H      -8.642426      2.357624     -1.373527
  H      -6.985309      0.376939      7.342327
  H      -6.835040      1.157896      5.749777
  H      -6.582627      3.376798      7.333807
  H      -7.593171      2.399103      8.407556
  H      -9.188785      3.568685      7.110875
  H      -9.049804      2.046626      6.170544
  H      -8.973373      5.851952      4.276746
  H     -10.271841      5.909658      2.144948
  H     -10.510205      1.618746      0.562982
  H      -9.533647     -0.588845      1.326734
  H      -8.258932     -0.655581      3.476323
  N      -4.942970      1.645599      4.133673
99
Coordinates from ORCA-job orca E -6428.948076427291
  N      -2.577933      0.355165      5.052229
  Mo     -3.931156      1.767059      5.450879
  N      -5.134257      1.288261      6.954414
  C      -4.656600      1.265630      8.331752
  C      -3.159892      0.968290      8.400931
  N      -2.433017      1.784809      7.424201
  C      -1.190059      1.193776      6.924449
  C      -1.491021      0.040059      5.975957
  C      -2.332865      3.206812      7.761838
  C      -2.313728      4.059388      6.496216
  N      -3.385420      3.694781      5.562725
  H      -0.564588     -0.198187      5.419806
  H      -1.744446     -0.877767      6.546100
  H      -0.654428      1.977895      6.370123
  H      -0.528501      0.856354      7.746832
  H      -2.430539      5.114082      6.806596
  H      -1.324245      3.999465      6.001475
  H      -3.224820      3.471335      8.347115
  H      -1.444056      3.421699      8.388579
  H      -5.195780      0.485368      8.902812
  H      -4.878700      2.224482      8.842919
  H      -2.996081     -0.085394      8.134216
  H      -2.782249      1.117176      9.431856
  C      -2.678457     -0.651953      3.993481
  C      -1.765388     -0.374820      2.788064
  C      -2.347672      0.634006      1.816700
  O      -3.527172      0.000101      1.257972
  C      -4.257985      0.496240      0.243390
  C      -5.301228     -0.321632     -0.183233
  C      -6.105849      0.063821     -1.263586
  N      -5.972084      1.196581     -1.942709
  C      -4.986661      2.033801     -1.517630
  C      -4.840280      3.283256     -2.171556
  C      -3.863789      4.159689     -1.760184
  C      -3.016209      3.775656     -0.696671
  N      -3.107158      2.622870     -0.056218
  C      -4.081000      1.748966     -0.435815
  C      -3.862058      4.896893      4.870299
  C      -5.008976      4.721882      3.879062
  C      -4.512981      4.360379      2.488066
  O      -5.594297      4.134066      1.560267
  C      -6.215937      5.191015      1.022074
  C      -5.932953      6.527671      1.279356
  C      -6.686330      7.529471      0.633592
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  C      -7.940669      6.009017     -0.518547
  C      -8.954452      5.708972     -1.461212
  C      -9.221693      4.393716     -1.770058
  C      -8.478454      3.378408     -1.127595
  N      -7.536381      3.608362     -0.228545
  C      -7.258828      4.900636      0.076209
  C      -6.587579      1.245657      6.843502
  C      -7.293303      2.504879      7.396997
  C      -8.498379      2.910896      6.568018
  O      -8.013675      3.694506      5.440239
  C      -8.742470      3.708701      4.294699
  C      -9.129988      4.926796      3.764477
  C      -9.847303      4.963601      2.550605
  N     -10.181268      3.898173      1.839833
  C      -9.750199      2.692791      2.310546
  C      -9.986641      1.530286      1.536773
  C      -9.493042      0.319303      1.966505
  C      -8.782104      0.267422      3.188023
  N      -8.565562      1.317939      3.961401
  C      -9.027115      2.525576      3.537234
  H      -2.428342     -1.641083      4.420478
  H      -3.718510     -0.704471      3.647876
  H      -0.787856      0.000105      3.133202
  H      -1.573912     -1.315419      2.246259
  H      -1.645585      0.880244      1.010364
  H      -2.639123      1.567080      2.318485
  H      -5.470783     -1.270618      0.326200
  H      -6.907275     -0.606773     -1.591044
  H      -5.532164      3.518593     -2.981711
  H      -3.739098      5.134277     -2.234520
  H      -2.228242      4.456073     -0.356664
  H      -3.008497      5.381706      4.350019
  H      -4.177832      5.619391      5.648009
  H      -5.575767      5.663757      3.841466
  H      -5.699740      3.941615      4.225965
  H      -3.977109      3.405678      2.503669
  H      -3.838329      5.133708      2.083236
  H      -5.151150      6.821572      1.976789
  H      -6.458332      8.577043      0.859136
  H      -9.492633      6.539014     -1.921866
  H      -9.992304      4.126346     -2.494914
  H      -8.661002      2.328393     -1.373882
  H      -6.975486      0.353264      7.374433
  H      -6.844410      1.139118      5.782801
  H      -6.587232      3.351516      7.389317
  H      -7.609077      2.362783      8.442092
  H      -9.181967      3.560847      7.139527
  H      -9.051871      2.036234      6.200543
  H      -8.886615      5.848684      4.293135
  H     -10.167934      5.932128      2.153333
  H     -10.535837      1.639159      0.600634
  H      -9.632598     -0.591725      1.382624
  H      -8.365899     -0.684020      3.536524
  N      -4.972870      1.632927      4.149531
99
Coordinates from ORCA-job orca E -6428.948307625888
  N      -2.594613      0.362926      5.042854
  Mo     -3.952229      1.766485      5.456397
  N      -5.136893      1.280615      6.972856
  C      -4.646820      1.255997      8.345360
  C      -3.148174      0.966884      8.399627
  N      -2.436070      1.788692      7.416989
  C      -1.194594      1.206863      6.903501
  C      -1.497392      0.052614      5.956720
  C      -2.343032      3.211037      7.754882
  C      -2.336859      4.065058      6.490157
  N      -3.411086      3.695763      5.561320
  H      -0.575506     -0.179463      5.390764
  H      -1.740675     -0.867377      6.527767
  H      -0.670470      1.995284      6.344228
  H      -0.521780      0.873009      7.718287
  H      -2.458382      5.118300      6.803384
  H      -1.350219      4.012766      5.988880
  H      -3.233893      3.468928      8.344688
  H      -1.452421      3.432959      8.376651
  H      -5.176710      0.471182      8.918815
  H      -4.869261      2.211948      8.861743
  H      -2.980430     -0.085581      8.130612
  H      -2.760970      1.117670      9.426820
  C      -2.697085     -0.641509      3.982576
  C      -1.779449     -0.367242      2.779939
  C      -2.350574      0.649873      1.810620
  O      -3.533461      0.028666      1.245957
  C      -4.244753      0.524160      0.217468
  C      -5.277715     -0.294949     -0.231553
  C      -6.064169      0.092984     -1.324171
  N      -5.923018      1.230005     -1.994823
  C      -4.948138      2.067840     -1.548429
  C      -4.795323      3.322383     -2.191719
  C      -3.828140      4.199292     -1.760217
  C      -2.995623      3.810538     -0.686207
  N      -3.093986      2.653888     -0.054201
  C      -4.059240      1.779570     -0.453822
  C      -3.900862      4.897138      4.876263
  C      -5.034690      4.712952      3.873196
  C      -4.524738      4.339669      2.490494
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  C      -8.935736      5.661169     -1.503104
  C      -9.211175      4.343860     -1.795119
  C      -8.477881      3.332081     -1.135535
  N      -7.537577      3.567629     -0.235896
  C      -7.252038      4.862186      0.052272
  C      -6.590620      1.226691      6.875375
  C      -7.299970      2.478584      7.442838
  C      -8.498256      2.898244      6.611623
  O      -7.999244      3.677080      5.486225
  C      -8.723233      3.707710      4.338450
  C      -9.072742      4.935482      3.803000
  C      -9.780096      4.990525      2.583927
  N     -10.141193      3.933631      1.873788
  C      -9.750412      2.716827      2.351536
  C     -10.021026      1.559002      1.581590
  C      -9.566726      0.334875      2.016967
  C      -8.858584      0.265993      3.239349
  N      -8.611953      1.312308      4.009589
  C      -9.037589      2.531530      3.581412
  H      -2.452962     -1.633193      4.407926
  H      -3.736220     -0.688170      3.633550
  H      -0.798459     -0.003432      3.126733
  H      -1.595993     -1.307524      2.234375
  H      -1.644234      0.893465      1.006905
  H      -2.634829      1.583710      2.315277
  H      -5.453663     -1.246404      0.270985
  H      -6.856709     -0.579035     -1.669974
  H      -5.475764      3.559294     -3.011301
  H      -3.699172      5.177102     -2.226648
  H      -2.214714      4.490910     -0.330246
  H      -3.050267      5.400559      4.369139
  H      -4.236594      5.606116      5.658439
  H      -5.602315      5.653462      3.820700
  H      -5.727889      3.934522      4.218957
  H      -3.990225      3.384774      2.518412
  H      -3.844978      5.108627      2.086297
  H      -5.145098      6.795713      1.941201
  H      -6.433938      8.544387      0.791514
  H      -9.466260      6.489073     -1.976445
  H      -9.980122      4.072369     -2.520307
  H      -8.668280      2.280255     -1.367657
  H      -6.966402      0.328134      7.404743
  H      -6.856303      1.124238      5.816359
  H      -6.592709      3.324184      7.453812
  H      -7.624904      2.321290      8.483128
  H      -9.175919      3.555093      7.181874
  H      -9.058463      2.029818      6.239850
  H      -8.807622      5.851793      4.330962
  H     -10.067968      5.967617      2.182036
  H     -10.563871      1.680207      0.643318
  H      -9.734806     -0.573349      1.436279
  H      -8.470902     -0.696171      3.590887
  N      -5.007581      1.623774      4.167286
99
Coordinates from ORCA-job orca E -6428.948516037629
  N      -2.609076      0.372681      5.032648
  Mo     -3.973235      1.766005      5.462878
  N      -5.138999      1.270715      6.991598
  C      -4.636221      1.242544      8.358969
  C      -3.135348      0.964323      8.397226
  N      -2.439851      1.793381      7.409280
  C      -1.198777      1.222930      6.882277
  C      -1.501717      0.068196      5.936528
  C      -2.355530      3.215685      7.749638
  C      -2.363986      4.072849      6.487322
  N      -3.440309      3.697627      5.562795
  H      -0.583275     -0.155901      5.362142
  H      -1.732672     -0.854819      6.507710
  H      -0.687587      2.017273      6.319288
  H      -0.514487      0.893218      7.689346
  H      -2.492629      5.123935      6.804439
  H      -1.380332      4.030892      5.978996
  H      -3.245318      3.465386      8.344577
  H      -1.463461      3.443605      8.367140
  H      -5.154800      0.450966      8.933483
  H      -4.860633      2.193903      8.882974
  H      -2.962646     -0.086258      8.123976
  H      -2.738379      1.116255      9.420625
  C      -2.712182     -0.629163      3.970767
  C      -1.791202     -0.357147      2.770129
  C      -2.354152      0.666954      1.802772
  O      -3.538612      0.055495      1.231577
  C      -4.231584      0.548611      0.190099
  C      -5.254964     -0.271817     -0.278056
  C      -6.025833      0.117802     -1.381074
  N      -5.878195      1.257492     -2.045396
  C      -4.912499      2.096355     -1.581842
  C      -4.754374      3.354698     -2.215794
  C      -3.796598      4.232907     -1.766180
  C      -2.978312      3.841909     -0.682032
  N      -3.082723      2.681965     -0.057101
  C      -4.038750      1.806607     -0.475010
  C      -3.943995      4.897605      4.885942
  C      -5.064471      4.702260      3.871815
  C      -4.541335      4.319403      2.497026
  O      -5.606453      4.076150      1.553833
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  C      -8.474604      3.279207     -1.144988
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  C      -8.498147      2.881131      6.656542
  O      -7.984171      3.660523      5.537674
  C      -8.699068      3.711015      4.385344
  C      -9.005085      4.949402      3.847111
  C      -9.699287      5.027645      2.621737
  N     -10.089050      3.982922      1.908651
  C      -9.743120      2.753927      2.390884
  C     -10.049045      1.604717      1.620937
  C      -9.637707      0.366418      2.058859
  C      -8.935642      0.275911      3.283072
  N      -8.658962      1.313888      4.054323
  C      -9.044332      2.545564      3.624871
  H      -2.471434     -1.622880      4.393959
  H      -3.750693     -0.671553      3.619441
  H      -0.807868     -0.001280      3.118257
  H      -1.613365     -1.296510      2.221138
  H      -1.643563      0.910946      1.002971
  H      -2.635084      1.599891      2.311096
  H      -5.436436     -1.225000      0.219247
  H      -6.810812     -0.555461     -1.741922
  H      -5.424339      3.592493     -3.043809
  H      -3.664343      5.213654     -2.225262
  H      -2.205398      4.523470     -0.311337
  H      -3.096551      5.419246      4.392538
  H      -4.300714      5.593002      5.670858
  H      -5.634000      5.640584      3.805485
  H      -5.758227      3.924745      4.216930
  H      -4.005746      3.365754      2.536610
  H      -3.858656      5.085751      2.093063
  H      -5.147891      6.768107      1.911685
  H      -6.418158      8.507366      0.727221
  H      -9.436338      6.430569     -2.038049
  H      -9.961979      4.010269     -2.551506
  H      -8.672712      2.225214     -1.360963
  H      -6.954647      0.298176      7.435635
  H      -6.867941      1.105322      5.851234
  H      -6.599255      3.290934      7.522812
  H      -7.642620      2.272591      8.525607
  H      -9.171458      3.542651      7.226476
  H      -9.063687      2.019761      6.276811
  H      -8.716527      5.857148      4.377710
  H      -9.950618      6.013830      2.217180
  H     -10.583693      1.742139      0.680379
  H      -9.835971     -0.535834      1.478558
  H      -8.580240     -0.697228      3.635976
  N      -5.042615      1.615340      4.186616
99
Coordinates from ORCA-job orca E -6428.948701851480
  N      -2.621921      0.382751      5.022139
  Mo     -3.992448      1.764929      5.469094
  N      -5.142123      1.261263      7.007911
  C      -4.628339      1.228618      8.370932
  C      -3.125204      0.960728      8.395437
  N      -2.444322      1.797183      7.403442
  C      -1.203682      1.236621      6.864616
  C      -1.506938      0.082269      5.918230
  C      -2.368340      3.219362      7.745671
  C      -2.387423      4.078488      6.484805
  N      -3.465087      3.697876      5.563069
  H      -0.590303     -0.134978      5.338390
  H      -1.728357     -0.843761      6.488336
  H      -0.703102      2.036087      6.299220
  H      -0.509897      0.909883      7.664820
  H      -2.522394      5.128022      6.804215
  H      -1.405544      4.044509      5.972325
  H      -3.257771      3.462290      8.344014
  H      -1.475740      3.451814      8.360798
  H      -5.136725      0.430094      8.945072
  H      -4.855408      2.175034      8.902714
  H      -2.947899     -0.087819      8.117252
  H      -2.720272      1.112265      9.415840
  C      -2.724202     -0.616207      3.957105
  C      -1.799712     -0.343651      2.759183
  C      -2.356791      0.686639      1.794751
  O      -3.539861      0.080291      1.215102
  C      -4.215390      0.569123      0.160529
  C      -5.225021     -0.256763     -0.326947
  C      -5.980035      0.130730     -1.441724
  N      -5.829553      1.273259     -2.100296
  C      -4.877346      2.117556     -1.618909
  C      -4.719516      3.379946     -2.244134
  C      -3.776007      4.263867     -1.775501
  C      -2.971397      3.874460     -0.680707
  N      -3.076816      2.710799     -0.062305
  C      -4.019143      1.830239     -0.498849
  C      -3.981977      4.897186      4.894397
  C      -5.088175      4.692453      3.867784
  C      -4.549793      4.298922      2.502276
  O      -5.606345      4.048209      1.551521
  C      -6.206178      5.090968      0.962459
  C      -5.914579      6.432742      1.179156
  C      -6.639849      7.418547      0.479660
  N      -7.601200      7.187053     -0.400486
  C      -7.890952      5.871319     -0.640274
  C      -8.893573      5.549294     -1.586514
  C      -9.180210      4.227257     -1.844526
  C      -8.465512      3.226320     -1.148168
  N      -7.530308      3.477855     -0.247898
  C      -7.235237      4.777206      0.007995
  C      -6.597228      1.184308      6.937908
  C      -7.316086      2.418637      7.535582
  C      -8.499092      2.868902      6.699056
  O      -7.971687      3.647989      5.586066
  C      -8.680416      3.717471      4.430849
  C      -8.950500      4.964859      3.893799
  C      -9.633178      5.065046      2.663690
  N     -10.047205      4.032923      1.945691
  C      -9.740058      2.793806      2.428648
  C     -10.077834      1.654657      1.656803
  C      -9.707302      0.403884      2.096207
  C      -9.012018      0.291638      3.322451
  N      -8.705716      1.320226      4.095222
  C      -9.053404      2.563364      3.665877
  H      -2.485370     -1.611379      4.378132
  H      -3.762127     -0.655873      3.603770
  H      -0.815585      0.007290      3.110236
  H      -1.624059     -1.281340      2.206938
  H      -1.641980      0.933873      0.999963
  H      -2.638013      1.617317      2.306929
  H      -5.408641     -1.212354      0.165176
  H      -6.754080     -0.546957     -1.817656
  H      -5.378843      3.616412     -3.080951
  H      -3.644822      5.248313     -2.227101
  H      -2.209735      4.560255     -0.294971
  H      -3.137436      5.437147      4.415634
  H      -4.359750      5.578964      5.681550
  H      -5.657419      5.630344      3.786593
  H      -5.785290      3.917124      4.211877
  H      -4.014798      3.345583      2.554692
  H      -3.862429      5.061481      2.098847
  H      -5.145804      6.743232      1.883791
  H      -6.403653      8.471443      0.670022
  H      -9.410182      6.369312     -2.088118
  H      -9.943549      3.945399     -2.571285
  H      -8.669030      2.170160     -1.349289
  H      -6.945974      0.272938      7.463329
  H      -6.880326      1.088989      5.882497
  H      -6.607204      3.261445      7.588238
  H      -7.660465      2.226960      8.563650
  H      -9.166695      3.536093      7.269433
  H      -9.072119      2.015420      6.313575
  H      -8.641085      5.863268      4.428606
  H      -9.854239      6.058557      2.259432
  H     -10.604953      1.808432      0.714376
  H      -9.932758     -0.491735      1.515063
  H      -8.688246     -0.692127      3.676507
  N      -5.075145      1.608863      4.204403
99
Coordinates from ORCA-job orca E -6428.948868880988
  N      -2.634587      0.393390      5.011035
  Mo     -4.010313      1.764890      5.476205
  N      -5.144778      1.252629      7.023973
  C      -4.619576      1.214619      8.382545
  C      -3.114304      0.956663      8.392417
  N      -2.448418      1.800582      7.396465
  C      -1.208233      1.249272      6.846381
  C      -1.512326      0.095863      5.898833
  C      -2.379112      3.222289      7.742245
  C      -2.409302      4.084835      6.484034
  N      -3.488790      3.699351      5.565785
  H      -0.597217     -0.114841      5.314125
  H      -1.724698     -0.833244      6.467408
  H      -0.717581      2.053604      6.279195
  H      -0.505948      0.925061      7.640063
  H      -2.550762      5.132395      6.807037
  H      -1.429556      4.059473      5.966919
  H      -3.267314      3.458680      8.345107
  H      -1.485281      3.457065      8.354696
  H      -5.117411      0.408553      8.955545
  H      -4.849226      2.155593      8.922907
  H      -2.933142     -0.089671      8.108379
  H      -2.700762      1.107130      9.409427
  C      -2.738258     -0.602241      3.942950
  C      -1.811341     -0.330270      2.746545
  C      -2.361822      0.705101      1.783438
  O      -3.542370      0.103784      1.193420
  C      -4.199853      0.591316      0.126731
  C      -5.197397     -0.237073     -0.380268
  C      -5.936302      0.151464     -1.505482
  N      -5.780894      1.297190     -2.156732
  C      -4.839581      2.143875     -1.657775
  C      -4.679290      3.409871     -2.273812
  C      -3.748131      4.296606     -1.785663
  C      -2.958186      3.906425     -0.680893
  N      -3.066997      2.738961     -0.069712
  C      -3.997491      1.855898     -0.525283
  C      -4.018284      4.897670      4.905421
  C      -5.111913      4.684384      3.868023
  C      -4.560797      4.280300      2.511175
  O      -5.609814      4.018184      1.555619
  C      -6.204768      5.053489      0.949390
  C      -5.912769      6.397148      1.150990
  C      -6.631136      7.374437      0.432531
  N      -7.585583      7.132594     -0.452433
  C      -7.876344      5.814346     -0.676160
  C      -8.872269      5.480840     -1.625306
  C      -9.161044      4.155720     -1.865155
  C      -8.455032      3.163543     -1.147776
  N      -7.524408      3.426145     -0.246012
  C      -7.227639      4.728405     -0.007597
  C      -6.600564      1.165216      6.968236
  C      -7.324743      2.390426      7.579685
  C      -8.500271      2.855727      6.740601
  O      -7.962701      3.640174      5.636012
  C      -8.664667      3.727316      4.477669
  C      -8.897286      4.982529      3.941278
  C      -9.565896      5.104267      2.705666
  N     -10.003730      4.085369      1.982581
  C      -9.737707      2.837755      2.467122
  C     -10.107143      1.710098      1.693284
  C      -9.777129      0.448237      2.133476
  C      -9.089104      0.314013      3.361407
  N      -8.755025      1.331981      4.136754
  C      -9.064880      2.585494      3.708148
  H      -2.501873     -1.599009      4.361684
  H      -3.776161     -0.637763      3.589238
  H      -0.826789      0.016591      3.100286
  H      -1.637905     -1.266926      2.192522
  H      -1.641630      0.955704      0.994928
  H      -2.645227      1.633171      2.298755
  H      -5.385172     -1.195020      0.105617
  H      -6.701265     -0.528035     -1.896164
  H      -5.327157      3.647852     -3.119037
  H      -3.615777      5.284498     -2.229033
  H      -2.206469      4.594329     -0.279767
  H      -3.177446      5.454153      4.439685
  H      -4.414747      5.566937      5.694157
  H      -5.680372      5.621588      3.773765
  H      -5.811668      3.911383      4.211532
  H      -4.024233      3.328877      2.577204
  H      -3.871718      5.039972      2.105423
  H      -5.148813      6.715916      1.857287
  H      -6.394848      8.429431      0.610288
  H      -9.382280      6.294381     -2.143960
  H      -9.919064      3.865673     -2.594199
  H      -8.662202      2.104972     -1.332708
  H      -6.935386      0.248429      7.492869
  H      -6.892370      1.071667      5.915230
  H      -6.616471      3.232087      7.654517
  H      -7.679221      2.180842      8.600751
  H      -9.164275      3.524936      7.312935
  H      -9.078783      2.009794      6.347149
  H      -8.566974      5.870515      4.481059
  H      -9.754217      6.103852      2.300345
  H     -10.626647      1.880799      0.749564
  H     -10.029030     -0.439372      1.551238
  H      -8.797044     -0.679004      3.716435
  N      -5.105020      1.605591      4.222345
99
Coordinates from ORCA-job orca E -6428.949018107733
  N      -2.649750      0.400251      4.998354
  Mo     -4.030017      1.760337      5.483581
  N      -5.151557      1.243338      7.040116
  C      -4.616057      1.198948      8.394504
  C      -3.109447      0.947028      8.391589
  N      -2.455489      1.796656      7.392468
  C      -1.217122      1.251701      6.831290
  C      -1.523707      0.101273      5.880553
  C      -2.390274      3.217948      7.740301
  C      -2.428155      4.082472      6.483565
  N      -3.509381      3.694226      5.567397
  H      -0.609514     -0.105563      5.293087
  H      -1.732125     -0.830538      6.446370
  H      -0.733441      2.059914      6.263591
  H      -0.507977      0.927177      7.618647
  H      -2.573735      5.128665      6.808783
  H      -1.450042      4.062437      5.963371
  H      -3.276966      3.450069      8.346978
  H      -1.495036      3.454591      8.350071
  H      -5.106525      0.387225      8.965988
  H      -4.845881      2.135320      8.942692
  H      -2.926499     -0.097591      8.102310
  H      -2.688010      1.095539      9.405608
  C      -2.752782     -0.587858      3.922713
  C      -1.820045     -0.311040      2.731591
  C      -2.362887      0.730432      1.770802
  O      -3.537262      0.131763      1.165512
  C      -4.176669      0.618592      0.087331
  C      -5.158141     -0.214617     -0.441821
  C      -5.879448      0.174070     -1.578317
  N      -5.721578      1.324453     -2.220497
  C      -4.795627      2.175629     -1.700813
  C      -4.635429      3.446495     -2.306484
  C      -3.720021      4.337793     -1.797004
  C      -2.945747      3.947326     -0.681652
  N      -3.055873      2.775236     -0.078794
  C      -3.971135      1.887750     -0.555254
  C      -4.047725      4.892593      4.912897
  C      -5.129530      4.674060      3.864802
  C      -4.566187      4.259412      2.516529
  O      -5.608721      3.983297      1.558298
  C      -6.204973      5.008254      0.936386
  C      -5.920422      6.355752      1.122432
  C      -6.639250      7.320128      0.386860
  N      -7.587201      7.062103     -0.500537
  C      -7.871211      5.739680     -0.707846
  C      -8.860204      5.388556     -1.657880
  C      -9.142827      4.058873     -1.879655
  C      -8.437238      3.080083     -1.143984
  N      -7.511776      3.359330     -0.241985
  C      -7.221438      4.665996     -0.020898
  C      -6.608429      1.152561      6.997624
  C      -7.330499      2.372688      7.622862
  C      -8.499625      2.858420      6.786862
  O      -7.952971      3.644017      5.687781
  C      -8.650126      3.748263      4.527958
  C      -8.853856      5.011159      3.996837
  C      -9.509545      5.154389      2.756842
  N      -9.965894      4.148941      2.026026
  C      -9.735696      2.893619      2.508873
  C     -10.134746      1.778696      1.731407
  C      -9.842615      0.507050      2.170083
  C      -9.160717      0.350208      3.398802
  N      -8.799011      1.356241      4.177398
  C      -9.074128      2.619402      3.752143
  H      -2.520428     -1.587846      4.336114
  H      -3.789739     -0.617920      3.565647
  H      -0.836692      0.032240      3.092131
  H      -1.645159     -1.245003      2.173642
  H      -1.635829      0.987116      0.990639
  H      -2.651883      1.654684      2.289830
  H      -5.347645     -1.176223      0.036206
  H      -6.631870     -0.509266     -1.985956
  H      -5.270521      3.685194     -3.161010
  H      -3.588307      5.329845     -2.231410
  H      -2.206501      4.638562     -0.263474
  H      -3.209249      5.462619      4.459525
  H      -4.460126      5.550846      5.703117
  H      -5.696491      5.611111      3.758490
  H      -5.833304      3.903607      4.206702
  H      -4.026686      3.310836      2.596496
  H      -3.876828      5.016838      2.107224
  H      -5.161935      6.687592      1.828537
  H      -6.408990      8.378526      0.551895
  H      -9.370051      6.192151     -2.192041
  H      -9.894827      3.755694     -2.609572
  H      -8.640153      2.018082     -1.313828
  H      -6.934538      0.232444      7.521918
  H      -6.909262      1.061845      5.946890
  H      -6.619282      3.209809      7.717786
  H      -7.693127      2.147098      8.637644
  H      -9.154071      3.532607      7.364476
  H      -9.089694      2.022962      6.388903
  H      -8.507193      5.888292      4.544212
  H      -9.669804      6.159577      2.353102
  H     -10.647273      1.966914      0.787033
  H     -10.118989     -0.371679      1.585392
  H      -8.897866     -0.651679      3.752542
  N      -5.137222      1.601009      4.240516
99
Coordinates from ORCA-job orca E -6428.949147318274
  N      -2.664687      0.407414      4.985677
  Mo     -4.046563      1.758928      5.489675
  N      -5.158559      1.236731      7.051851
  C      -4.613256      1.186028      8.402492
  C      -3.105911      0.938124      8.387747
  N      -2.461366      1.792730      7.386713
  C      -1.225240      1.251553      6.816369
  C      -1.535782      0.104756      5.862352
  C      -2.396750      3.213107      7.738610
  C      -2.442128      4.081570      6.484822
  N      -3.525257      3.692552      5.571429
  H      -0.622793     -0.099956      5.272231
  H      -1.742220     -0.829225      6.425447
  H      -0.745548      2.062400      6.249177
  H      -0.511742      0.924925      7.598688
  H      -2.590677      5.126238      6.813917
  H      -1.465723      4.066555      5.961260
  H      -3.280562      3.441657      8.350900
  H      -1.498760      3.448685      8.344709
  H      -5.097295      0.369244      8.972278
  H      -4.842544      2.118339      8.957696
  H      -2.922563     -0.104911      8.092999
  H      -2.677363      1.083581      9.399123
  C      -2.770323     -0.573392      3.903273
  C      -1.831186     -0.295390      2.717057
  C      -2.363681      0.750176      1.755311
  O      -3.531729      0.154917      1.134355
  C      -4.156608      0.647364      0.049404
  C      -5.128010     -0.184737     -0.499238
  C      -5.835027      0.210183     -1.642769
  N      -5.672280      1.365927     -2.273577
  C      -4.755946      2.215977     -1.734870
  C      -4.593192      3.492146     -2.328409
  C      -3.687265      4.382210     -1.799778
  C      -2.925305      3.985216     -0.678504
  N      -3.039041      2.807987     -0.086064
  C      -3.945528      1.921633     -0.580921
  C      -4.066225      4.890623      4.918528
  C      -5.141706      4.669769      3.864649
  C      -4.570481      4.243890      2.523341
  O      -5.607849      3.951188      1.565369
  C      -6.203469      4.964427      0.924817
  C      -5.922240      6.315073      1.089836
  C      -6.639010      7.265236      0.333887
  N      -7.581956      6.990388     -0.554077
  C      -7.863473      5.664481     -0.739356
  C      -8.847435      5.295266     -1.688160
  C      -9.128144      3.961525     -1.886427
  C      -8.425549      2.997550     -1.128944
  N      -7.504220      3.293737     -0.227806
  C      -7.215598      4.604236     -0.030107
  C      -6.615973      1.143096      7.022096
  C      -7.336663      2.357860      7.659421
  C      -8.503144      2.858354      6.828311
  O      -7.955222      3.652124      5.735898
  C      -8.647897      3.767534      4.574621
  C      -8.826666      5.035474      4.045634
  C      -9.467301      5.194226      2.800300
  N      -9.935916      4.198825      2.063106
  C      -9.737161      2.938935      2.546927
  C     -10.155931      1.834246      1.765285
  C      -9.897316      0.555978      2.204855
  C      -9.227867      0.382188      3.437994
  N      -8.846777      1.378703      4.219662
  C      -9.090357      2.648690      3.794895
  H      -2.545160     -1.576819      4.312305
  H      -3.806634     -0.595180      3.543528
  H      -0.849224      0.044216      3.084651
  H      -1.655619     -1.228422      2.158019
  H      -1.628594      1.010006      0.983971
  H      -2.658066      1.671899      2.275333
  H      -5.321319     -1.150271     -0.030985
  H      -6.579871     -0.472408     -2.065143
  H      -5.217295      3.736815     -3.189352
  H      -3.553447      5.378223     -2.224183
  H      -2.193182      4.674964     -0.245651
  H      -3.228406      5.465047      4.469806
  H      -4.485012      5.545726      5.708170
  H      -5.705587      5.607677      3.749534
  H      -5.849398      3.902736      4.206385
  H      -4.027080      3.298991      2.617983
  H      -3.882980      4.999152      2.107344
  H      -5.167685      6.660169      1.793973
  H      -6.411640      8.326582      0.482344
  H      -9.355312      6.087755     -2.240709
  H      -9.875592      3.643912     -2.615446
  H      -8.627387      1.932846     -1.279843
  H      -6.933732      0.220291      7.546540
  H      -6.925881      1.054472      5.973950
  H      -6.624611      3.192195      7.770674
  H      -7.704322      2.118450      8.669325
  H      -9.152213      3.531301      7.413556
  H      -9.099826      2.030412      6.424842
  H      -8.468065      5.903562      4.599507
  H      -9.602954      6.202673      2.395653
  H     -10.656831      2.036564      0.817591
  H     -10.189735     -0.315885      1.617589
  H      -8.992368     -0.625826      3.793410
  N      -5.162466      1.603012      4.254103
99
Coordinates from ORCA-job orca E -6428.949246213997
  N      -2.683904      0.414009      4.971316
  Mo     -4.065225      1.757844      5.496338
  N      -5.168951      1.231686      7.063593
  C      -4.614483      1.173028      8.410541
  C      -3.107476      0.924447      8.385015
  N      -2.468852      1.782668      7.383465
  C      -1.236763      1.242534      6.803205
  C      -1.554434      0.101996      5.843977
  C      -2.401260      3.201589      7.740352
  C      -2.452326      4.074908      6.490234
  N      -3.538182      3.689774      5.578891
  H      -0.643421     -0.103751      5.251277
  H      -1.763975     -0.833793      6.403102
  H      -0.758095      2.055458      6.238126
  H      -0.520181      0.909879      7.580163
  H      -2.599977      5.118174      6.824297
  H      -1.477734      4.062270      5.963201
  H      -3.281193      3.427972      8.358999
  H      -1.499512      3.434602      8.341958
  H      -5.095451      0.353141      8.978378
  H      -4.839906      2.102199      8.972342
  H      -2.926387     -0.117487      8.084922
  H      -2.672120      1.065378      9.394208
  C      -2.792477     -0.556288      3.879397
  C      -1.843373     -0.278010      2.700820
  C      -2.362524      0.772473      1.737555
  O      -3.524412      0.181800      1.100309
  C      -4.135184      0.679454      0.009134
  C      -5.094869     -0.153202     -0.558717
  C      -5.786791      0.245880     -1.710057
  N      -5.619983      1.406550     -2.330813
  C      -4.715648      2.256960     -1.772889
  C      -4.550080      3.537598     -2.356686
  C      -3.655160      4.427958     -1.810083
  C      -2.907111      4.026836     -0.681163
  N      -3.024036      2.845449     -0.097511
  C      -3.920301      1.958365     -0.609839
  C      -4.077076      4.890196      4.928461
  C      -5.150636      4.674318      3.872127
  C      -4.576609      4.237933      2.535316
  O      -5.610695      3.925857      1.580445
  C      -6.210734      4.924968      0.922157
  C      -5.941078      6.280603      1.067565
  C      -6.659118      7.212842      0.290864
  N      -7.593312      6.916035     -0.599360
  C      -7.864686      5.585081     -0.763747
  C      -8.840186      5.193114     -1.712193
  C      -9.111351      3.854274     -1.888613
  C      -8.407186      2.908196     -1.110623
  N      -7.493245      3.225368     -0.209028
  C      -7.214449      4.541379     -0.032451
  C      -6.627011      1.140175      7.045001
  C      -7.340240      2.353572      7.693126
  C      -8.502476      2.871794      6.867715
  O      -7.950176      3.662680      5.776188
  C      -8.636174      3.785782      4.612627
  C      -8.785307      5.056333      4.080192
  C      -9.413182      5.227131      2.830218
  N      -9.898048      4.240731      2.091176
  C      -9.732663      2.978490      2.580393
  C     -10.172310      1.882695      1.798087
  C      -9.949307      0.599640      2.242472
  C      -9.294033      0.412211      3.481145
  N      -8.892282      1.400688      4.262154
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  H      -2.579334     -1.565077      4.281988
  H      -3.827142     -0.565687      3.514163
  H      -0.862748      0.055626      3.077305
  H      -1.667371     -1.210380      2.140442
  H      -1.618454      1.033505      0.975043
  H      -2.660619      1.693067      2.257391
  H      -5.290360     -1.122822     -0.099762
  H      -6.522106     -0.437600     -2.147411
  H      -5.161252      3.785368     -3.225810
  H      -3.519280      5.426972     -2.226946
  H      -2.183095      4.716535     -0.234485
  H      -3.238139      5.464788      4.481721
  H      -4.495573      5.543699      5.719706
  H      -5.708155      5.615552      3.752378
  H      -5.864119      3.912505      4.213557
  H      -4.027278      3.297858      2.642931
  H      -3.893530      4.992292      2.110956
  H      -5.193923      6.642953      1.770982
  H      -6.440056      8.278095      0.423198
  H      -9.349938      5.972153     -2.281828
  H      -9.851922      3.518613     -2.616499
  H      -8.601679      1.839885     -1.244463
  H      -6.941056      0.215809      7.568997
  H      -6.946071      1.055646      5.999053
  H      -6.622913      3.181367      7.818154
  H      -7.713317      2.104987      8.698989
  H      -9.140156      3.550047      7.459228
  H      -9.111230      2.053262      6.463677
  H      -8.410666      5.916434      4.636457
  H      -9.522073      6.237103      2.421255
  H     -10.659355      2.096821      0.845798
  H     -10.258789     -0.266169      1.655701
  H      -9.089448     -0.600208      3.842332
  N      -5.190075      1.608642      4.268204
99
Coordinates from ORCA-job orca E -6428.949317816714
  N      -2.696977      0.417973      4.958696
  Mo     -4.074767      1.759515      5.497693
  N      -5.178263      1.232823      7.064710
  C      -4.619048      1.168504      8.409777
  C      -3.113357      0.914518      8.379085
  N      -2.473091      1.772879      7.378662
  C      -1.245005      1.228106      6.794260
  C      -1.570603      0.093671      5.830643
  C      -2.397004      3.190118      7.739976
  C      -2.447378      4.067532      6.492696
  N      -3.535366      3.688505      5.582124
  H      -0.661207     -0.117173      5.237402
  H      -1.787620     -0.842295      6.386714
  H      -0.761987      2.040589      6.232237
  H      -0.529879      0.887414      7.569115
  H      -2.591032      5.110285      6.830198
  H      -1.473174      4.053328      5.964321
  H      -3.273591      3.418471      8.362798
  H      -1.491709      3.417116      8.338677
  H      -5.100506      0.348372      8.976839
  H      -4.839757      2.096867      8.974652
  H      -2.936683     -0.127307      8.075979
  H      -2.674849      1.050789      9.387681
  C      -2.809914     -0.543215      3.859499
  C      -1.851587     -0.265482      2.688481
  C      -2.358365      0.788551      1.723016
  O      -3.512774      0.201941      1.068640
  C      -4.118888      0.716552     -0.017440
  C      -5.077571     -0.106547     -0.601035
  C      -5.763829      0.309743     -1.749965
  N      -5.592640      1.479126     -2.353343
  C      -4.689504      2.319854     -1.778924
  C      -4.517796      3.607713     -2.345444
  C      -3.621453      4.487617     -1.784320
  C      -2.878557      4.068957     -0.658220
  N      -3.001617      2.880781     -0.090403
  C      -3.899400      2.003366     -0.617124
  C      -4.059158      4.889909      4.921955
  C      -5.136243      4.679219      3.868306
  C      -4.565673      4.226484      2.535208
  O      -5.600776      3.898301      1.587387
  C      -6.198520      4.885760      0.909608
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  C      -6.638508      7.160130      0.227466
  N      -7.574000      6.847019     -0.656005
  C      -7.851414      5.514362     -0.789642
  C      -8.829288      5.105267     -1.728660
  C      -9.105918      3.763997     -1.874951
  C      -8.405515      2.833199     -1.075592
  N      -7.490057      3.166425     -0.180806
  C      -7.205141      4.484845     -0.035034
  C      -6.636396      1.146768      7.051957
  C      -7.343272      2.360031      7.706773
  C      -8.508410      2.885182      6.890348
  O      -7.964717      3.678090      5.796609
  C      -8.654860      3.797457      4.635639
  C      -8.800116      5.067049      4.099105
  C      -9.428954      5.236672      2.849551
  N      -9.919261      4.249467      2.114658
  C      -9.760870      2.988340      2.609711
  C     -10.208636      1.892152      1.832685
  C      -9.996778      0.609697      2.284015
  C      -9.344547      0.422907      3.524590
  N      -8.932510      1.412058      4.298838
  C      -9.129603      2.686835      3.863760
  H      -2.609083     -1.557043      4.255792
  H      -3.842976     -0.540299      3.489708
  H      -0.872888      0.063392      3.073515
  H      -1.674176     -1.197274      2.127644
  H      -1.605226      1.051560      0.969777
  H      -2.661810      1.707675      2.242330
  H      -5.276290     -1.082437     -0.157107
  H      -6.498177     -0.366695     -2.199987
  H      -5.123143      3.869060     -3.214902
  H      -3.480224      5.491005     -2.188512
  H      -2.152744      4.749734     -0.200673
  H      -3.213450      5.448904      4.468031
  H      -4.466296      5.556094      5.708287
  H      -5.685128      5.624518      3.743847
  H      -5.856230      3.925568      4.214096
  H      -4.014571      3.288965      2.656158
  H      -3.884861      4.975690      2.098686
  H      -5.175942      6.617767      1.721014
  H      -6.415236      8.227013      0.336170
  H      -9.336673      5.872617     -2.315923
  H      -9.847719      3.414046     -2.595052
  H      -8.605158      1.763278     -1.185492
  H      -6.951185      0.222472      7.575584
  H      -6.961061      1.065524      6.006879
  H      -6.623253      3.184881      7.835708
  H      -7.714896      2.107324      8.712337
  H      -9.139343      3.563276      7.489197
  H      -9.122664      2.069449      6.488913
  H      -8.420915      5.926129      4.653844
  H      -9.534281      6.245672      2.436653
  H     -10.692910      2.107493      0.879355
  H     -10.312769     -0.256899      1.702723
  H      -9.153164     -0.589474      3.893675
  N      -5.202635      1.620570      4.271076
99
Coordinates from ORCA-job orca E -6428.949397200592
  N      -2.709371      0.429560      4.947590
  Mo     -4.089225      1.763449      5.500125
  N      -5.184707      1.226900      7.069041
  C      -4.619799      1.158211      8.411600
  C      -3.114234      0.907157      8.373874
  N      -2.479431      1.770666      7.374976
  C      -1.252862      1.231192      6.783300
  C      -1.580312      0.101332      5.815553
  C      -2.404810      3.186250      7.742838
  C      -2.461892      4.069673      6.500298
  N      -3.550160      3.692802      5.590858
  H      -0.673587     -0.107079      5.217796
  H      -1.796407     -0.836695      6.368111
  H      -0.772720      2.047127      6.224115
  H      -0.535014      0.886852      7.553993
  H      -2.606699      5.110307      6.844161
  H      -1.489330      4.060911      5.968761
  H      -3.279308      3.409671      8.370231
  H      -1.497535      3.413495      8.338329
  H      -5.097659      0.335316      8.977394
  H      -4.839525      2.084141      8.980632
  H      -2.936212     -0.133142      8.066414
  H      -2.671947      1.040744      9.381142
  C      -2.823959     -0.527141      3.844982
  C      -1.855246     -0.256240      2.680291
  C      -2.349526      0.798566      1.709025
  O      -3.497988      0.213823      1.042747
  C      -4.097336      0.733049     -0.044848
  C      -5.045272     -0.091698     -0.644051
  C      -5.723572      0.329197     -1.795914
  N      -5.555222      1.504804     -2.388145
  C      -4.662612      2.346118     -1.798774
  C      -4.492508      3.639287     -2.354646
  C      -3.605219      4.519525     -1.780400
  C      -2.869458      4.095992     -0.650828
  N      -2.991217      2.903404     -0.092732
  C      -3.880674      2.025262     -0.632745
  C      -4.067450      4.895144      4.927356
  C      -5.142583      4.688496      3.871362
  C      -4.571034      4.226893      2.541535
  O      -5.604764      3.881921      1.598264
  C      -6.202379      4.858059      0.903645
  C      -5.930663      6.217219      0.999050
  C      -6.640623      7.120608      0.181966
  N      -7.572224      6.792287     -0.700110
  C      -7.849953      5.457707     -0.811133
  C      -8.827477      5.033598     -1.743900
  C      -9.105710      3.690376     -1.867074
  C      -8.406174      2.772761     -1.051446
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  C      -6.641857      1.135766      7.061105
  C      -7.348752      2.340794      7.731014
  C      -8.511632      2.877083      6.918881
  O      -7.961898      3.672849      5.830338
  C      -8.642144      3.805003      4.665915
  C      -8.750066      5.076962      4.125857
  C      -9.366339      5.260852      2.872947
  N      -9.878391      4.285950      2.136745
  C      -9.756222      3.021990      2.634356
  C     -10.226567      1.937094      1.854573
  C     -10.051540      0.649883      2.307143
  C      -9.413326      0.447373      3.552364
  N      -8.980052      1.426252      4.328099
  C      -9.140995      2.705620      3.892154
  H      -2.636635     -1.544617      4.238912
  H      -3.854598     -0.512755      3.468507
  H      -0.876762      0.066880      3.070525
  H      -1.679483     -1.189999      2.121797
  H      -1.588100      1.059112      0.962786
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  H      -5.241318     -1.072397     -0.209981
  H      -6.448976     -0.348319     -2.258500
  H      -5.091487      3.903137     -3.228134
  H      -3.465845      5.526108     -2.177328
  H      -2.150408      4.776980     -0.183170
  H      -3.218371      5.449590      4.473957
  H      -4.472636      5.563850      5.712675
  H      -5.684894      5.636747      3.742202
  H      -5.867543      3.940110      4.217425
  H      -4.013388      3.294584      2.671600
  H      -3.895619      4.976338      2.097612
  H      -5.185643      6.603804      1.691818
  H      -6.417572      8.189236      0.273258
  H      -9.334632      5.791587     -2.343665
  H      -9.848912      3.328079     -2.579866
  H      -8.608207      1.701417     -1.142261
  H      -6.952129      0.204975      7.575569
  H      -6.971081      1.065094      6.017320
  H      -6.627332      3.162231      7.873026
  H      -7.723833      2.076500      8.732378
  H      -9.138541      3.554521      7.522757
  H      -9.128856      2.067007      6.511238
  H      -8.351857      5.926309      4.681787
  H      -9.442761      6.271710      2.458475
  H     -10.695810      2.164496      0.896538
  H     -10.384635     -0.209015      1.723495
  H      -9.251589     -0.570033      3.923086
  N      -5.221403      1.624782      4.277467
99
Coordinates from ORCA-job orca E -6428.949452025392
  N      -2.723379      0.437729      4.934146
  Mo     -4.099116      1.769508      5.502586
  N      -5.193750      1.229913      7.071086
  C      -4.627446      1.151336      8.412208
  C      -3.123563      0.891998      8.370518
  N      -2.485292      1.756707      7.374520
  C      -1.262442      1.213320      6.778056
  C      -1.598403      0.093024      5.802337
  C      -2.401425      3.170013      7.749646
  C      -2.454786      4.060358      6.511707
  N      -3.546467      3.694730      5.601588
  H      -0.693049     -0.119399      5.204178
  H      -1.823603     -0.846794      6.348285
  H      -0.777684      2.030852      6.224920
  H      -0.546196      0.858208      7.545644
  H      -2.592562      5.100297      6.861017
  H      -1.482971      4.048772      5.978004
  H      -3.273902      3.396216      8.379046
  H      -1.491953      3.389034      8.344877
  H      -5.109127      0.328389      8.975008
  H      -4.840646      2.075601      8.986546
  H      -2.951778     -0.147983      8.058127
  H      -2.678360      1.018714      9.377589
  C      -2.841703     -0.507270      3.821875
  C      -1.861316     -0.241119      2.665404
  C      -2.341018      0.818544      1.691315
  O      -3.480203      0.236796      1.006840
  C      -4.070210      0.761632     -0.082303
  C      -5.008859     -0.062539     -0.697312
  C      -5.679580      0.364865     -1.850747
  N      -5.512403      1.546273     -2.431913
  C      -4.626940      2.385838     -1.829743
  C      -4.455226      3.683435     -2.374826
  C      -3.574635      4.562149     -1.788371
  C      -2.847910      4.133486     -0.654496
  N      -2.971451      2.936842     -0.105360
  C      -3.853188      2.059337     -0.659081
  C      -4.050329      4.902201      4.936858
  C      -5.129015      4.703447      3.883542
  C      -4.565005      4.231042      2.554242
  O      -5.601614      3.862807      1.622447
  C      -6.210600      4.822565      0.913704
  C      -5.954910      6.186557      0.989254
  C      -6.670421      7.069354      0.154436
  N      -7.592983      6.716277     -0.727377
  C      -7.857163      5.376671     -0.817135
  C      -8.824907      4.926711     -1.747138
  C      -9.090378      3.578809     -1.848060
  C      -8.388513      2.681934     -1.012119
  N      -7.480877      3.053488     -0.125116
  C      -7.207727      4.379236     -0.023268
  C      -6.651350      1.142620      7.064470
  C      -7.353599      2.344096      7.747064
  C      -8.515027      2.892621      6.940843
  O      -7.962895      3.683080      5.849592
  C      -8.641970      3.821296      4.684935
  C      -8.727404      5.093640      4.141233
  C      -9.340941      5.285694      2.888084
  N      -9.872749      4.318890      2.155030
  C      -9.775016      3.054509      2.657040
  C     -10.269867      1.977405      1.881874
  C     -10.116647      0.688300      2.336113
  C      -9.476231      0.476237      3.578898
  N      -9.023049      1.448411      4.351357
  C      -9.162157      2.729401      3.913888
  H      -2.671352     -1.531523      4.206900
  H      -3.868918     -0.475407      3.437732
  H      -0.883527      0.074214      3.062813
  H      -1.686785     -1.174496      2.105983
  H      -1.568789      1.080977      0.956386
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  H      -5.204274     -1.047656     -0.272729
  H      -6.398398     -0.311710     -2.325228
  H      -5.048145      3.950539     -3.251586
  H      -3.434343      5.571500     -2.178159
  H      -2.134795      4.813800     -0.176612
  H      -3.194749      5.446131      4.482382
  H      -4.448313      5.576547      5.721036
  H      -5.662550      5.656336      3.752153
  H      -5.859753      3.963071      4.233922
  H      -3.996604      3.306224      2.691161
  H      -3.900385      4.981479      2.096155
  H      -5.216575      6.592800      1.677953
  H      -6.458093      8.141992      0.227741
  H      -9.335055      5.669664     -2.362185
  H      -9.825353      3.196988     -2.557877
  H      -8.582757      1.607016     -1.082803
  H      -6.963734      0.207445      7.569855
  H      -6.982000      1.083476      6.020253
  H      -6.627286      3.159832      7.897363
  H      -7.730199      2.071933      8.745952
  H      -9.131066      3.576182      7.548515
  H      -9.141452      2.088352      6.535384
  H      -8.312483      5.936942      4.695208
  H      -9.397341      6.296286      2.470657
  H     -10.739338      2.212251      0.925572
  H     -10.468688     -0.164672      1.755321
  H      -9.331428     -0.542807      3.950949
  N      -5.234660      1.641669      4.282369
99
Coordinates from ORCA-job orca E -6428.949515411438
  N      -2.730696      0.444142      4.926227
  Mo     -4.106530      1.772725      5.501841
  N      -5.200362      1.227637      7.068452
  C      -4.633758      1.147756      8.409480
  C      -3.130643      0.885285      8.367903
  N      -2.489789      1.751077      7.374512
  C      -1.268680      1.205530      6.776469
  C      -1.608785      0.090798      5.795610
  C      -2.402924      3.163267      7.753094
  C      -2.454439      4.056808      6.517302
  N      -3.546171      3.695809      5.605929
  H      -0.703758     -0.124139      5.197991
  H      -1.840007     -0.849837      6.337447
  H      -0.780023      2.023614      6.227721
  H      -0.554587      0.843854      7.542968
  H      -2.589917      5.096393      6.868713
  H      -1.482380      4.044597      5.984276
  H      -3.274684      3.389961      8.383136
  H      -1.492940      3.378475      8.348828
  H      -5.117368      0.326162      8.972559
  H      -4.844584      2.072567      8.983737
  H      -2.960977     -0.154360      8.053301
  H      -2.686059      1.008417      9.375619
  C      -2.849337     -0.496005      3.809192
  C      -1.861073     -0.230551      2.658709
  C      -2.332691      0.832988      1.684721
  O      -3.465769      0.253985      0.988297
  C      -4.055564      0.790141     -0.095080
  C      -4.995518     -0.026870     -0.718069
  C      -5.666581      0.412594     -1.866475
  N      -5.499749      1.599993     -2.435637
  C      -4.612254      2.432332     -1.826290
  C      -4.440226      3.735377     -2.358003
  C      -3.556391      4.606423     -1.765292
  C      -2.826816      4.164501     -0.637772
  N      -2.951296      2.962911     -0.100174
  C      -3.836671      2.092834     -0.660197
  C      -4.031259      4.903749      4.928076
  C      -5.113828      4.710462      3.876987
  C      -4.554223      4.221719      2.551721
  O      -5.593969      3.847315      1.626641
  C      -6.197691      4.800455      0.905299
  C      -5.933453      6.163747      0.960834
  C      -6.643044      7.038837      0.112739
  N      -7.569024      6.678920     -0.762245
  C      -7.844511      5.340101     -0.828999
  C      -8.821696      4.883694     -1.745835
  C      -9.100933      3.537250     -1.821870
  C      -8.402038      2.647852     -0.974926
  N      -7.485194      3.025566     -0.100252
  C      -7.200349      4.350256     -0.021780
  C      -6.658249      1.146857      7.062995
  C      -7.352523      2.351973      7.747437
  C      -8.513406      2.903061      6.942952
  O      -7.957594      3.676347      5.841608
  C      -8.639364      3.811263      4.678711
  C      -8.709771      5.078317      4.120935
  C      -9.333324      5.265365      2.872106
  N      -9.885268      4.298529      2.154234
  C      -9.799776      3.038462      2.668475
  C     -10.313615      1.959911      1.908009
  C     -10.178619      0.674060      2.377273
  C      -9.537206      0.467251      3.620443
  N      -9.063323      1.441243      4.377865
  C      -9.183245      2.718925      3.924779
  H      -2.688656     -1.523384      4.189942
  H      -3.874541     -0.454888      3.420034
  H      -0.884792      0.082153      3.062122
  H      -1.684623     -1.162879      2.098244
  H      -1.554392      1.098021      0.957213
  H      -2.646908      1.751056      2.198615
  H      -5.192181     -1.015853     -0.303180
  H      -6.386662     -0.258146     -2.347316
  H      -5.036461      4.012200     -3.229536
  H      -3.415911      5.619464     -2.145337
  H      -2.110394      4.838348     -0.155752
  H      -3.166682      5.428294      4.467812
  H      -4.417126      5.593488      5.704461
  H      -5.634888      5.669582      3.737546
  H      -5.854342      3.982105      4.234062
  H      -3.988039      3.296790      2.696330
  H      -3.888316      4.965330      2.084476
  H      -5.192135      6.575404      1.642943
  H      -6.422066      8.110776      0.168096
  H      -9.328461      5.621326     -2.370012
  H      -9.845548      3.150593     -2.518947
  H      -8.608436      1.573862     -1.025015
  H      -6.975534      0.212348      7.566685
  H      -6.989757      1.091244      6.018784
  H      -6.621151      3.164373      7.890675
  H      -7.725706      2.084757      8.748792
  H      -9.119606      3.598948      7.546481
  H      -9.148295      2.100359      6.548292
  H      -8.275882      5.921257      4.660698
  H      -9.380888      6.272442      2.445539
  H     -10.783638      2.190498      0.950995
  H     -10.546601     -0.180582      1.808790
  H      -9.409918     -0.549459      4.005397
  N      -5.242419      1.651196      4.281576
99
Coordinates from ORCA-job orca E -6428.949570124647
  N      -2.741417      0.453864      4.916748
  Mo     -4.110453      1.785637      5.499912
  N      -5.203347      1.235416      7.064698
  C      -4.636685      1.150169      8.405579
  C      -3.135073      0.880022      8.362014
  N      -2.490833      1.745808      7.370873
  C      -1.273104      1.194956      6.770571
  C      -1.621564      0.087960      5.783913
  C      -2.395053      3.155986      7.755154
  C      -2.441886      4.055072      6.523280
  N      -3.537350      3.705450      5.612735
  H      -0.718559     -0.130275      5.184735
  H      -1.859783     -0.853825      6.320348
  H      -0.778247      2.012403      6.226662
  H      -0.562331      0.824135      7.535545
  H      -2.569302      5.094337      6.879155
  H      -1.470625      4.038217      5.988885
  H      -3.265023      3.386077      8.386342
  H      -1.483587      3.362132      8.351506
  H      -5.124143      0.330069      8.967337
  H      -4.842426      2.074901      8.981702
  H      -2.971493     -0.159316      8.043319
  H      -2.689121      0.997032      9.369614
  C      -2.867329     -0.481777      3.796622
  C      -1.870099     -0.227427      2.651046
  C      -2.327460      0.837887      1.672037
  O      -3.455640      0.264045      0.963282
  C      -4.040143      0.811664     -0.117577
  C      -4.975185      0.000543     -0.755331
  C      -5.642746      0.453017     -1.900491
  N      -5.475863      1.647671     -2.454254
  C      -4.590951      2.473471     -1.832344
  C      -4.416848      3.781973     -2.349004
  C      -3.534704      4.645953     -1.743887
  C      -2.809338      4.191560     -0.618793
  N      -2.935954      2.984455     -0.094675
  C      -3.819580      2.120845     -0.667255
  C      -4.006194      4.917501      4.931334
  C      -5.092133      4.733220      3.881474
  C      -4.537415      4.229482      2.559655
  O      -5.580044      3.842495      1.643247
  C      -6.182332      4.783705      0.906160
  C      -5.912762      6.146278      0.935514
  C      -6.618315      7.007113      0.069843
  N      -7.547238      6.634347     -0.796725
  C      -7.830788      5.296438     -0.834483
  C      -8.813282      4.826882     -1.739156
  C      -9.100461      3.480881     -1.786253
  C      -8.404398      2.605569     -0.922083
  N      -7.482463      2.996049     -0.058601
  C      -7.189926      4.320236     -0.008575
  C      -6.661272      1.155158      7.060014
  C      -7.356098      2.357638      7.748307
  C      -8.518931      2.906017      6.944484
  O      -7.963648      3.668734      5.835214
  C      -8.652008      3.801949      4.675851
  C      -8.712709      5.065458      4.108758
  C      -9.343698      5.249857      2.863694
  N      -9.912878      4.284055      2.157962
  C      -9.837519      3.026793      2.680588
  C     -10.372270      1.948650      1.933579
  C     -10.250005      0.664745      2.412322
  C      -9.598778      0.459447      3.650644
  N      -9.104928      1.433598      4.395745
  C      -9.214030      2.709859      3.934137
  H      -2.722492     -1.512090      4.175224
  H      -3.890136     -0.424955      3.402779
  H      -0.893427      0.078870      3.059199
  H      -1.697926     -1.162360      2.093752
  H      -1.540347      1.099604      0.953052
  H      -2.642394      1.757378      2.182613
  H      -5.172419     -0.993564     -0.353134
  H      -6.360078     -0.212157     -2.392616
  H      -5.010948      4.067734     -3.218534
  H      -3.392676      5.662742     -2.112299
  H      -2.094203      4.859720     -0.127304
  H      -3.134677      5.428141      4.468628
  H      -4.382320      5.616347      5.704220
  H      -5.598801      5.699244      3.735069
  H      -5.842950      4.018088      4.243860
  H      -3.968652      3.307225      2.712414
  H      -3.874825      4.968632      2.080706
  H      -5.168997      6.568167      1.608820
  H      -6.392134      8.078767      0.102932
  H      -9.316695      5.555042     -2.377366
  H      -9.849028      3.083793     -2.473334
  H      -8.617734      1.531828     -0.948511
  H      -6.979005      0.218796      7.559297
  H      -6.991716      1.103956      6.015499
  H      -6.625638      3.171470      7.888032
  H      -7.725585      2.089281      8.750456
  H      -9.119732      3.610186      7.543898
  H      -9.158107      2.102142      6.559294
  H      -8.265382      5.907527      4.637732
  H      -9.384306      6.254663      2.430843
  H     -10.850035      2.176884      0.979823
  H     -10.635529     -0.189351      1.854328
  H      -9.480255     -0.556211      4.042257
  N      -5.248529      1.671898      4.280476
99
Coordinates from ORCA-job orca E -6428.949533885937
  N      -2.755403      0.455305      4.912061
  Mo     -4.109967      1.798786      5.500581
  N      -5.205927      1.250436      7.063414
  C      -4.642240      1.160532      8.405257
  C      -3.143355      0.873942      8.361550
  N      -2.490529      1.733880      7.370703
  C      -1.278792      1.169569      6.769755
  C      -1.640084      0.071725      5.776959
  C      -2.377567      3.142196      7.758143
  C      -2.414117      4.045234      6.528711
  N      -3.517510      3.712795      5.620992
  H      -0.738894     -0.153308      5.177599
  H      -1.889280     -0.870543      6.307468
  H      -0.772442      1.982972      6.230405
  H      -0.574222      0.786769      7.534294
  H      -2.526660      5.085326      6.887330
  H      -1.444352      4.016329      5.991936
  H      -3.244600      3.381974      8.389810
  H      -1.463894      3.334107      8.355621
  H      -5.138775      0.345911      8.966959
  H      -4.838746      2.087640      8.980770
  H      -2.992091     -0.166537      8.040546
  H      -2.695918      0.984105      9.369101
  C      -2.893883     -0.472668      3.787037
  C      -1.894909     -0.225477      2.641514
  C      -2.341102      0.849160      1.667284
  O      -3.476197      0.292478      0.955785
  C      -4.060282      0.859616     -0.115781
  C      -5.011346      0.068981     -0.754928
  C      -5.685971      0.545624     -1.885902
  N      -5.508549      1.744991     -2.425962
  C      -4.603960      2.550193     -1.805169
  C      -4.414726      3.860925     -2.309496
  C      -3.512207      4.703760     -1.704529
  C      -2.782328      4.225874     -0.593065
  N      -2.922845      3.015381     -0.080109
  C      -3.825884      2.172271     -0.652481
  C      -3.971410      4.930809      4.941315
  C      -5.064629      4.755668      3.896521
  C      -4.519054      4.239156      2.575891
  O      -5.567132      3.839568      1.670927
  C      -6.172709      4.768025      0.921441
  C      -5.899661      6.129949      0.924566
  C      -6.606628      6.975491      0.045508
  N      -7.540978      6.589121     -0.809546
  C      -7.829174      5.251995     -0.819950
  C      -8.815536      4.767547     -1.712765
  C      -9.105610      3.421441     -1.733352
  C      -8.409611      2.561506     -0.853865
  N      -7.483046      2.966417     -0.002165
  C      -7.186901      4.290486      0.021585
  C      -6.664593      1.178127      7.055741
  C      -7.356218      2.392603      7.724922
  C      -8.511732      2.932870      6.904685
  O      -7.943539      3.663042      5.779255
  C      -8.632827      3.777946      4.617604
  C      -8.680712      5.028527      4.020993
  C      -9.309177      5.190221      2.771381
  N      -9.892531      4.214923      2.090580
  C      -9.833948      2.969767      2.644038
  C     -10.394366      1.881804      1.929843
  C     -10.290995      0.608458      2.441646
  C      -9.629517      0.423430      3.677754
  N      -9.113687      1.408379      4.394686
  C      -9.208606      2.675073      3.902503
  H      -2.762098     -1.506449      4.160285
  H      -3.916052     -0.398962      3.394291
  H      -0.914770      0.069392      3.050088
  H      -1.733875     -1.160111      2.080892
  H      -1.550951      1.106271      0.950307
  H      -2.646263      1.769027      2.182815
  H      -5.218803     -0.927082     -0.362540
  H      -6.418631     -0.102341     -2.378143
  H      -5.014562      4.165138     -3.167958
  H      -3.357594      5.722111     -2.062502
  H      -2.051387      4.877034     -0.102039
  H      -3.094959      5.428636      4.474488
  H      -4.335914      5.637026      5.712886
  H      -5.558504      5.727644      3.745830
  H      -5.823379      4.053142      4.266588
  H      -3.946582      3.319650      2.733490
  H      -3.861913      4.974646      2.083848
  H      -5.151270      6.562896      1.585848
  H      -6.377871      8.046963      0.057082
  H      -9.317206      5.485125     -2.364400
  H      -9.854752      3.013025     -2.413096
  H      -8.624562      1.487590     -0.859144
  H      -6.989950      0.249152      7.563342
  H      -6.988913      1.117393      6.009980
  H      -6.622908      3.206106      7.851387
  H      -7.728820      2.140842      8.729853
  H      -9.107039      3.658998      7.483124
  H      -9.158688      2.126478      6.537887
  H      -8.224393      5.878462      4.528501
  H      -9.337094      6.184864      2.314157
  H     -10.881322      2.092516      0.976658
  H     -10.699724     -0.252096      1.909995
  H      -9.521862     -0.583939      4.093035
  N      -5.250755      1.697949      4.282019
99
Coordinates from ORCA-job orca E -6428.949643090230
  N      -2.737774      0.455793      4.914080
  Mo     -4.097168      1.796714      5.497950
  N      -5.197649      1.242896      7.056211
  C      -4.638512      1.155677      8.400195
  C      -3.138613      0.873213      8.362464
  N      -2.484783      1.735076      7.374405
  C      -1.270137      1.174041      6.776995
  C      -1.624197      0.075914      5.781710
  C      -2.377079      3.143445      7.762588
  C      -2.412342      4.046763      6.533397
  N      -3.512683      3.712722      5.622363
  H      -0.719612     -0.145137      5.185584
  H      -1.871572     -0.867957      6.310383
  H      -0.763118      1.988396      6.239875
  H      -0.567653      0.792554      7.543960
  H      -2.528609      5.086049      6.892287
  H      -1.441111      4.020177      5.999841
  H      -3.246513      3.379775      8.392146
  H      -1.465757      3.337764      8.363079
  H      -5.134972      0.340159      8.960365
  H      -4.839983      2.082759      8.973922
  H      -2.983328     -0.166670      8.041583
  H      -2.695393      0.984158      9.371871
  C      -2.869455     -0.471681      3.787647
  C      -1.868918     -0.215224      2.645527
  C      -2.317724      0.857506      1.670863
  O      -3.449487      0.296239      0.958274
  C      -4.027772      0.855901     -0.120765
  C      -4.982481      0.064623     -0.753365
  C      -5.649016      0.532368     -1.893143
  N      -5.460696      1.723988     -2.446527
  C      -4.553479      2.530346     -1.830948
  C      -4.354241      3.834154     -2.350100
  C      -3.447873      4.677512     -1.751316
  C      -2.723348      4.206365     -0.633660
  N      -2.873968      3.002825     -0.106923
  C      -3.782389      2.160256     -0.671483
  C      -3.968285      4.930713      4.944007
  C      -5.057623      4.755593      3.894885
  C      -4.505053      4.249935      2.573124
  O      -5.550505      3.852707      1.664736
  C      -6.161200      4.783565      0.922988
  C      -5.891054      6.146186      0.931472
  C      -6.610080      6.995196      0.065833
  N      -7.553753      6.612091     -0.780589
  C      -7.838164      5.274349     -0.796881
  C      -8.837587      4.793657     -1.677836
  C      -9.126896      3.447606     -1.700529
  C      -8.414869      2.583721     -0.837889
  N      -7.476601      2.984985      0.002790
  C      -7.182612      4.309155      0.030048
  C      -6.656471      1.171438      7.044025
  C      -7.346247      2.391881      7.702728
  C      -8.509828      2.920912      6.886859
  O      -7.952884      3.642935      5.750609
  C      -8.662025      3.761949      4.601802
  C      -8.711182      5.011905      4.004325
  C      -9.368514      5.178349      2.770231
  N      -9.978142      4.208210      2.105906
  C      -9.918635      2.963465      2.659799
  C     -10.508340      1.880461      1.961676
  C     -10.410243      0.607242      2.475296
  C      -9.722786      0.417715      3.696115
  N      -9.176127      1.397682      4.397229
  C      -9.266203      2.664043      3.903372
  H      -2.731644     -1.504551      4.161077
  H      -3.891594     -0.404099      3.393420
  H      -0.892601      0.085476      3.058441
  H      -1.700102     -1.148298      2.084546
  H      -1.527888      1.117150      0.954455
  H      -2.627354      1.776333      2.185729
  H      -5.198258     -0.925214     -0.350182
  H      -6.384749     -0.116434     -2.379794
  H      -4.949035      4.133573     -3.214310
  H      -3.285088      5.691101     -2.119796
  H      -1.988563      4.857344     -0.148000
  H      -3.092649      5.432662      4.480649
  H      -4.336507      5.633501      5.716816
  H      -5.556621      5.725343      3.748267
  H      -5.813464      4.046716      4.258957
  H      -3.930278      3.331359      2.726277
  H      -3.849173      4.990869      2.087929
  H      -5.137788      6.576929      1.588453
  H      -6.384647      8.067078      0.082880
  H      -9.351100      5.513863     -2.317576
  H      -9.887771      3.042301     -2.369987
  H      -8.627539      1.510115     -0.846446
  H      -6.983323      0.246939      7.559190
  H      -6.979109      1.102127      5.998526
  H      -6.614730      3.209118      7.814305
  H      -7.710263      2.150589      8.713236
  H      -9.103730      3.649355      7.464160
  H      -9.158000      2.110518      6.532174
  H      -8.235688      5.858707      4.499331
  H      -9.397161      6.172546      2.311625
  H     -11.013833      2.094142      1.018780
  H     -10.843181     -0.249979      1.956893
  H      -9.619139     -0.589700      4.111808
  N      -5.233563      1.695118      4.275461
99
Coordinates from ORCA-job orca E -6428.949445602567
  N      -2.726655      0.446931      4.909310
  Mo     -4.087259      1.786377      5.495970
  N      -5.193833      1.239374      7.053971
  C      -4.637519      1.148726      8.398233
  C      -3.138652      0.862647      8.362381
  N      -2.481439      1.721467      7.374383
  C      -1.266532      1.160107      6.778409
  C      -1.617121      0.063656      5.781224
  C      -2.370924      3.129702      7.762238
  C      -2.402089      4.032086      6.532487
  N      -3.500846      3.701316      5.618525
  H      -0.711139     -0.157504      5.187324
  H      -1.867260     -0.880391      6.308641
  H      -0.757948      1.974974      6.243168
  H      -0.565779      0.776705      7.546602
  H      -2.515610      5.071630      6.891579
  H      -1.430378      4.002354      5.999048
  H      -3.240868      3.367941      8.390729
  H      -1.459505      3.325737      8.362456
  H      -5.137039      0.333653      8.956445
  H      -4.837208      2.075784      8.972885
  H      -2.984259     -0.178349      8.044056
  H      -2.695042      0.975591      9.371946
  C      -2.848803     -0.468633      3.773218
  C      -1.839966     -0.201258      2.640607
  C      -2.287015      0.875127      1.668593
  O      -3.406998      0.306559      0.943560
  C      -3.992877      0.863088     -0.132322
  C      -4.907660      0.045081     -0.790113
  C      -5.575574      0.503505     -1.932821
  N      -5.429065      1.710899     -2.464053
  C      -4.564842      2.542461     -1.821902
  C      -4.411571      3.862652     -2.317722
  C      -3.548748      4.733020     -1.694004
  C      -2.822223      4.274402     -0.571876
  N      -2.930464      3.056718     -0.066473
  C      -3.794092      2.185336     -0.657824
  C      -3.953788      4.921697      4.941939
  C      -5.033041      4.751281      3.884178
  C      -4.477277      4.237365      2.566624
  O      -5.518707      3.818185      1.661996
  C      -6.140816      4.735521      0.909268
  C      -5.889014      6.102865      0.903823
  C      -6.619566      6.934230      0.030680
  N      -7.556295      6.529138     -0.813710
  C      -7.822538      5.186681     -0.818371
  C      -8.815652      4.684008     -1.693391
  C      -9.092528      3.334490     -1.697751
  C      -8.374056      2.488850     -0.823923
  N      -7.439809      2.909898      0.010820
  C      -7.156875      4.237859      0.019975
  C      -6.652405      1.167928      7.037239
  C      -7.340252      2.386183      7.703786
  C      -8.513538      2.922296      6.905818
  O      -7.973360      3.657019      5.769403
  C      -8.688111      3.798677      4.626871
  C      -8.715365      5.058694      4.048852
  C      -9.376195      5.259582      2.822234
  N     -10.010178      4.313827      2.146395
  C      -9.971598      3.059349      2.679508
  C     -10.582980      2.001231      1.962642
  C     -10.493865      0.715389      2.442560
  C      -9.794715      0.488738      3.650245
  N      -9.231809      1.445298      4.369903
  C      -9.313464      2.723354      3.910587
  H      -2.714376     -1.506319      4.136828
  H      -3.867013     -0.397684      3.370996
  H      -0.867195      0.097421      3.060946
  H      -1.664998     -1.130009      2.073478
  H      -1.493210      1.146376      0.959569
  H      -2.609988      1.788476      2.185985
  H      -5.087361     -0.959326     -0.405986
  H      -6.277083     -0.167381     -2.440258
  H      -5.002648      4.150702     -3.189814
  H      -3.420642      5.757774     -2.046844
  H      -2.119817      4.947152     -0.067659
  H      -3.075862      5.428665      4.487531
  H      -4.330451      5.617282      5.718113
  H      -5.529041      5.720940      3.734495
  H      -5.791176      4.044209      4.242149
  H      -3.895829      3.325693      2.732826
  H      -3.826737      4.977987      2.074826
  H      -5.141419      6.550348      1.556119
  H      -6.407729      8.009771      0.036931
  H      -9.338827      5.390380     -2.339785
  H      -9.850303      2.912686     -2.359111
  H      -8.580419      1.413860     -0.814240
  H      -6.978653      0.241439      7.549533
  H      -6.976780      1.102298      5.992743
  H      -6.607123      3.201040      7.824221
  H      -7.702305      2.136982      8.713881
  H      -9.100716      3.641273      7.501264
  H      -9.165224      2.115710      6.548940
  H      -8.222205      5.888391      4.557311
  H      -9.384058      6.260351      2.378472
  H     -11.089557      2.244179      1.026869
  H     -10.940005     -0.123757      1.906736
  H      -9.694224     -0.529710      4.037811
  N      -5.221877      1.683388      4.272807
99
Coordinates from ORCA-job orca E -6428.949711972445
  N      -2.723486      0.453424      4.910551
  Mo     -4.081809      1.796896      5.492501
  N      -5.196703      1.246030      7.042293
  C      -4.647988      1.155519      8.390004
  C      -3.149638      0.863826      8.362981
  N      -2.482898      1.721829      7.379867
  C      -1.267809      1.153697      6.789931
  C      -1.621465      0.061763      5.787999
  C      -2.367477      3.129141      7.769692
  C      -2.388863      4.033403      6.540887
  N      -3.487479      3.709221      5.623485
  H      -0.713003     -0.164925      5.199870
  H      -1.881247     -0.881689      6.311879
  H      -0.750344      1.966423      6.259896
  H      -0.574153      0.763993      7.561222
  H      -2.498614      5.073403      6.900099
  H      -1.415165      3.999471      6.011747
  H      -3.238966      3.371263      8.394396
  H      -1.458172      3.317512      8.375337
  H      -5.153574      0.343151      8.946971
  H      -4.847569      2.084123      8.962317
  H      -2.998331     -0.177201      8.043357
  H      -2.712512      0.972198      9.375587
  C      -2.849890     -0.467846      3.778115
  C      -1.841839     -0.208066      2.643113
  C      -2.289633      0.861740      1.664607
  O      -3.410871      0.290856      0.943274
  C      -3.998475      0.850677     -0.129762
  C      -4.936908      0.047408     -0.771897
  C      -5.612339      0.514224     -1.906640
  N      -5.449987      1.716336     -2.445469
  C      -4.559260      2.533650     -1.820528
  C      -4.387620      3.847946     -2.323634
  C      -3.498252      4.702877     -1.715829
  C      -2.764272      4.234159     -0.602808
  N      -2.889366      3.021249     -0.090563
  C      -3.779232      2.165905     -0.665735
  C      -3.930616      4.933080      4.946460
  C      -5.023831      4.772379      3.899629
  C      -4.481129      4.261209      2.575880
  O      -5.532639      3.856155      1.677965
  C      -6.150985      4.780759      0.933766
  C      -5.881282      6.144161      0.926032
  C      -6.605616      6.984075      0.055632
  N      -7.552907      6.591098     -0.781974
  C      -7.838661      5.252861     -0.780891
  C      -8.843567      4.762391     -1.649363
  C      -9.138069      3.417215     -1.650299
  C      -8.426304      2.563377     -0.777955
  N      -7.479977      2.973079      0.049311
  C      -7.180299      4.296813      0.054480
  C      -6.656144      1.184611      7.019411
  C      -7.340367      2.411998      7.672198
  C      -8.509577      2.937393      6.862712
  O      -7.962347      3.647917      5.714937
  C      -8.682759      3.766186      4.573353
  C      -8.727326      5.014122      3.971432
  C      -9.398868      5.182844      2.744951
  N     -10.023947      4.215864      2.090317
  C      -9.966862      2.972618      2.647431
  C     -10.567592      1.892022      1.956132
  C     -10.468965      0.619046      2.469496
  C      -9.770632      0.427800      3.683961
  N      -9.213095      1.405654      4.378332
  C      -9.303173      2.671256      3.884788
  H      -2.716934     -1.503480      4.146632
  H      -3.869064     -0.396258      3.377654
  H      -0.869691      0.096508      3.062253
  H      -1.664861     -1.140256      2.083013
  H      -1.495984      1.127716      0.954419
  H      -2.610721      1.778143      2.176874
  H      -5.132442     -0.951167     -0.379911
  H      -6.334485     -0.144291     -2.400909
  H      -4.988460      4.144936     -3.184928
  H      -3.356035      5.723864     -2.073047
  H      -2.042336      4.894523     -0.110314
  H      -3.049519      5.426061      4.482950
  H      -4.290018      5.638384      5.721291
  H      -5.513108      5.747690      3.756030
  H      -5.786024      4.070705      4.264661
  H      -3.903884      3.344619      2.730010
  H      -3.829924      5.000367      2.082196
  H      -5.122931      6.582123      1.572324
  H      -6.378489      8.056125      0.057726
  H      -9.358767      5.474727     -2.295605
  H      -9.904809      3.005439     -2.307839
  H      -8.646246      1.490816     -0.766256
  H      -6.992134      0.263894      7.535777
  H      -6.973284      1.113714      5.971623
  H      -6.605541      3.227535      7.775530
  H      -7.700162      2.178178      8.686394
  H      -9.095526      3.671626      7.440425
  H      -9.163359      2.126047      6.520251
  H      -8.238142      5.858717      4.458327
  H      -9.423453      6.175283      2.283220
  H     -11.079537      2.107335      1.016967
  H     -10.910398     -0.236163      1.956369
  H      -9.667633     -0.579079      4.100095
  N      -5.210803      1.703752      4.263322
99
Coordinates from ORCA-job orca E -6428.949343534033
  N      -2.745896      0.468413      4.894094
  Mo     -4.098319      1.809769      5.491459
  N      -5.196419      1.239247      7.045209
  C      -4.637139      1.145507      8.389002
  C      -3.138622      0.857205      8.347973
  N      -2.483393      1.722517      7.364544
  C      -1.272331      1.159553      6.762097
  C      -1.633594      0.073670      5.756331
  C      -2.367942      3.127335      7.763976
  C      -2.402833      4.042114      6.543711
  N      -3.508347      3.724325      5.634869
  H      -0.731609     -0.147059      5.156456
  H      -1.887093     -0.873366      6.275622
  H      -0.757841      1.974640      6.233940
  H      -0.574463      0.765048      7.526213
  H      -2.509945      5.078750      6.913581
  H      -1.434316      4.013491      6.005977
  H      -3.234075      3.362283      8.398282
  H      -1.454123      3.312191      8.363180
  H      -5.136537      0.330631      8.946831
  H      -4.834056      2.071978      8.965172
  H      -2.988012     -0.181179      8.020237
  H      -2.693706      0.960218      9.356968
  C      -2.889174     -0.453562      3.764720
  C      -1.880046     -0.214479      2.625773
  C      -2.307116      0.866675      1.650833
  O      -3.453639      0.331868      0.941300
  C      -4.034888      0.918116     -0.122922
  C      -5.021210      0.160025     -0.747421
  C      -5.701051      0.662409     -1.864497
  N      -5.492871      1.856642     -2.405016
  C      -4.548886      2.628135     -1.800240
  C      -4.320308      3.930500     -2.310981
  C      -3.374588      4.737834     -1.724122
  C      -2.640731      4.231528     -0.628264
  N      -2.816871      3.028000     -0.110846
  C      -3.764635      2.221213     -0.662693
  C      -3.951520      4.950238      4.963268
  C      -5.036167      4.788552      3.906368
  C      -4.472493      4.290003      2.586000
  O      -5.506584      3.852681      1.683727
  C      -6.140066      4.751805      0.923876
  C      -5.901949      6.119252      0.900454
  C      -6.633288      6.928152      0.007593
  N      -7.564249      6.502672     -0.833308
  C      -7.820841      5.160254     -0.813913
  C      -8.807139      4.635233     -1.685344
  C      -9.066722      3.283177     -1.673007
  C      -8.337367      2.458558     -0.786056
  N      -7.411237      2.901910      0.046764
  C      -7.147932      4.232380      0.040930
  C      -6.654845      1.173049      7.032874
  C      -7.338134      2.396228      7.690727
  C      -8.508244      2.918017      6.880107
  O      -7.952143      3.621260      5.731625
  C      -8.670117      3.748935      4.590077
  C      -8.683861      4.993268      3.979027
  C      -9.350629      5.169374      2.752746
  N     -10.002173      4.214094      2.107380
  C      -9.975151      2.972777      2.671063
  C     -10.608658      1.903291      1.989730
  C     -10.548234      0.631621      2.513976
  C      -9.851421      0.429962      3.727250
  N      -9.260636      1.397541      4.411317
  C      -9.317195      2.663450      3.909158
  H      -2.772870     -1.489251      4.136249
  H      -3.908753     -0.364864      3.367289
  H      -0.898771      0.068132      3.041254
  H      -1.728146     -1.150717      2.064866
  H      -1.513253      1.109196      0.932925
  H      -2.594643      1.792312      2.166266
  H      -5.255360     -0.828800     -0.352645
  H      -6.464237      0.041084     -2.343695
  H      -4.924475      4.257470     -3.157877
  H      -3.188730      5.749629     -2.085138
  H      -1.876412      4.853729     -0.151362
  H      -3.071005      5.449096      4.506053
  H      -4.317382      5.650658      5.739372
  H      -5.528679      5.762062      3.761324
  H      -5.796906      4.080624      4.261994
  H      -3.869373      3.390597      2.744552
  H      -3.839902      5.046514      2.094469
  H      -5.162173      6.583198      1.550546
  H      -6.432228      8.004630     -0.001814
  H      -9.334780      5.327690     -2.344978
  H      -9.818885      2.843289     -2.331596
  H      -8.527866      1.380890     -0.765142
  H      -6.986314      0.250192      7.546568
  H      -6.976189      1.105607      5.987979
  H      -6.605366      3.214261      7.787283
  H      -7.692211      2.162295      8.706252
  H      -9.093922      3.657524      7.452375
  H      -9.163514      2.106757      6.540916
  H      -8.176887      5.829074      4.458383
  H      -9.354176      6.160695      2.286473
  H     -11.117331      2.123694      1.049904
  H     -11.017219     -0.215335      2.009051
  H      -9.775914     -0.578340      4.150109
  N      -5.237951      1.716192      4.270795
99
Coordinates from ORCA-job orca E -6428.949770973139
  N      -2.726356      0.457179      4.904880
  Mo     -4.080234      1.802224      5.492755
  N      -5.196389      1.245301      7.039572
  C      -4.649006      1.152089      8.387684
  C      -3.151732      0.854921      8.360505
  N      -2.482121      1.713188      7.379828
  C      -1.269005      1.142442      6.788298
  C      -1.625818      0.057319      5.780091
  C      -2.361087      3.118725      7.774693
  C      -2.380062      4.027784      6.549572
  N      -3.482097      3.712963      5.633259
  H      -0.717899     -0.168766      5.190838
  H      -1.888865     -0.888219      6.298377
  H      -0.746554      1.955180      6.263401
  H      -0.578573      0.745509      7.558616
  H      -2.483366      5.066924      6.913151
  H      -1.407650      3.990231      6.018524
  H      -3.230984      3.361783      8.401203
  H      -1.450578      3.301311      8.380190
  H      -5.157783      0.341307      8.943825
  H      -4.845360      2.081215      8.960236
  H      -3.004167     -0.185741      8.038028
  H      -2.714460      0.959104      9.373350
  C      -2.855663     -0.457165      3.767405
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  C      -2.288792      0.879956      1.660498
  O      -3.412608      0.315991      0.937705
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  N      -5.462191      1.765019     -2.434903
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  C      -8.820991      4.725355     -1.649703
  C      -9.115351      3.380253     -1.636413
  C      -8.405679      2.536398     -0.752630
  N      -7.461712      2.955120      0.072828
  C      -7.162029      4.278742      0.063983
  C      -6.655895      1.191564      7.015485
  C      -7.332536      2.427802      7.657820
  C      -8.504952      2.945542      6.848187
  O      -7.959659      3.635526      5.686820
  C      -8.688872      3.747743      4.550398
  C      -8.720568      4.987177      3.930264
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  N     -10.049731      4.181641      2.075652
  C     -10.005122      2.945663      2.649907
  C     -10.631994      1.864768      1.982190
  C     -10.548265      0.597829      2.513333
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  H      -2.727715     -1.495077      4.130735
  H      -3.874084     -0.378516      3.366230
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  H      -1.670078     -1.125598      2.071526
  H      -1.494311      1.145314      0.951017
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  H      -5.150491     -0.909752     -0.378208
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  H      -4.983551      4.189655     -3.175541
  H      -3.325542      5.750665     -2.076568
  H      -2.003417      4.906297     -0.126475
  H      -3.033377      5.428696      4.495642
  H      -4.273455      5.646768      5.733403
  H      -5.491602      5.763922      3.762520
  H      -5.777147      4.089521      4.273634
  H      -3.885160      3.354318      2.748076
  H      -3.815808      5.006745      2.090902
  H      -5.107057      6.579690      1.561200
  H      -6.358734      8.036757      0.027005
  H      -9.334322      5.430536     -2.305588
  H      -9.880435      2.961033     -2.291663
  H      -8.625230      1.464105     -0.729693
  H      -6.998136      0.276596      7.537550
  H      -6.971581      1.115354      5.968097
  H      -6.594844      3.242663      7.744968
  H      -7.686055      2.207639      8.677182
  H      -9.084664      3.691069      7.417954
  H      -9.164631      2.132378      6.521686
  H      -8.215007      5.831683      4.399343
  H      -9.417190      6.134463      2.233126
  H     -11.152168      2.073964      1.046118
  H     -11.010470     -0.257567      2.018498
  H      -9.745398     -0.589679      4.150859
  N      -5.209966      1.715963      4.263650
99
Coordinates from ORCA-job orca E -6428.949799662964
  N      -2.719412      0.434672      4.905255
  Mo     -4.068552      1.790017      5.480206
  N      -5.195680      1.247528      7.024446
  C      -4.655107      1.161725      8.375722
  C      -3.159650      0.854666      8.358027
  N      -2.479583      1.702022      7.374923
  C      -1.267697      1.118930      6.792973
  C      -1.626520      0.031496      5.787936
  C      -2.350485      3.109497      7.760814
  C      -2.360565      4.011122      6.529923
  N      -3.463757      3.698755      5.613705
  H      -0.716757     -0.202742      5.204502
  H      -1.898234     -0.910095      6.308937
  H      -0.735763      1.924918      6.267217
  H      -0.584718      0.720533      7.569150
  H      -2.456727      5.053210      6.886842
  H      -1.387783      3.962724      6.000773
  H      -3.220263      3.361977      8.383703
  H      -1.440354      3.290239      8.367442
  H      -5.171876      0.359183      8.936429
  H      -4.847589      2.097110      8.939501
  H      -3.017251     -0.189146      8.043399
  H      -2.726725      0.962932      9.372252
  C      -2.843589     -0.477798      3.765631
  C      -1.826071     -0.212918      2.640320
  C      -2.260509      0.870634      1.670936
  O      -3.386746      0.319307      0.942378
  C      -3.975913      0.902661     -0.117541
  C      -4.933743      0.122944     -0.759934
  C      -5.613117      0.615199     -1.881641
  N      -5.435157      1.820618     -2.407800
  C      -4.523144      2.614371     -1.783149
  C      -4.332166      3.930369     -2.274725
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  C      -2.681719      4.266426     -0.569272
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  C      -3.896648      4.926014      4.937003
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  C      -4.462273      4.254956      2.570779
  O      -5.518379      3.834383      1.686067
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  C      -8.883195      4.678521     -1.602728
  C      -9.165784      3.331049     -1.585685
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  C      -6.655674      1.215042      6.994644
  C      -7.314756      2.468487      7.621135
  C      -8.492838      2.981780      6.817174
  O      -7.956596      3.657246      5.643127
  C      -8.700939      3.767736      4.516388
  C      -8.747816      5.007596      3.898285
  C      -9.454241      5.168173      2.690771
  N     -10.108056      4.199638      2.067434
  C     -10.042873      2.961921      2.635690
  C     -10.667541      1.877505      1.971934
  C     -10.562800      0.609122      2.496036
  C      -9.834050      0.426580      3.693683
  N      -9.251508      1.408414      4.362084
  C      -9.347673      2.669485      3.857816
  H      -2.718336     -1.516444      4.127473
  H      -3.859786     -0.397510      3.359129
  H      -0.855300      0.081433      3.070431
  H      -1.651122     -1.140435      2.071692
  H      -1.462847      1.135444      0.964978
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  H      -5.142543     -0.876632     -0.377750
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  H      -4.936667      4.248523     -3.125687
  H      -3.261371      5.782980     -2.016074
  H      -1.940630      4.906850     -0.079116
  H      -3.013484      5.409175      4.467200
  H      -4.244379      5.636442      5.712471
  H      -5.479241      5.751284      3.752702
  H      -5.762027      4.076870      4.266179
  H      -3.877337      3.343568      2.727350
  H      -3.820338      4.994799      2.066054
  H      -5.139679      6.563168      1.556017
  H      -6.429573      8.011094      0.044698
  H      -9.413793      5.379526     -2.249328
  H      -9.938946      2.906289     -2.227850
  H      -8.647582      1.419030     -0.685931
  H      -7.013395      0.311846      7.526648
  H      -6.968921      1.130725      5.947088
  H      -6.569097      3.278312      7.684746
  H      -7.657861      2.269287      8.648385
  H      -9.063990      3.735752      7.384579
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  H      -8.238014      5.853976      4.359136
  H      -9.484914      6.155929      2.219220
  H     -11.201777      2.085114      1.043393
  H     -11.022249     -0.249098      2.003679
  H      -9.725580     -0.577011      4.117425
  N      -5.193379      1.703898      4.246928
99
Coordinates from ORCA-job orca E -6428.949835617136
  N      -2.709961      0.425865      4.904293
  Mo     -4.054647      1.788087      5.473590
  N      -5.194884      1.250757      7.010378
  C      -4.663685      1.165268      8.365251
  C      -3.170481      0.846718      8.357600
  N      -2.477706      1.687829      7.377752
  C      -1.266577      1.094825      6.804095
  C      -1.627269      0.012190      5.794616
  C      -2.339230      3.094501      7.763479
  C      -2.337551      3.995862      6.532349
  N      -3.441948      3.693946      5.613513
  H      -0.715071     -0.228847      5.217730
  H      -1.910887     -0.927839      6.312146
  H      -0.723083      1.896894      6.284081
  H      -0.593346      0.688942      7.584962
  H      -2.424433      5.038885      6.888889
  H      -1.364112      3.937714      6.005348
  H      -3.209303      3.354146      8.383058
  H      -1.429987      3.268375      8.373427
  H      -5.190105      0.368638      8.925575
  H      -4.852153      2.104105      8.924811
  H      -3.033962     -0.198616      8.045194
  H      -2.743147      0.953109      9.374405
  C      -2.831240     -0.482997      3.761352
  C      -1.809319     -0.215483      2.640585
  C      -2.243458      0.866209      1.668993
  O      -3.364076      0.310169      0.935515
  C      -3.960822      0.898110     -0.117328
  C      -4.920765      0.120175     -0.758699
  C      -5.610369      0.619004     -1.871184
  N      -5.440612      1.829239     -2.389044
  C      -4.525401      2.620627     -1.766003
  C      -4.342405      3.941109     -2.248382
  C      -3.427319      4.769847     -1.642610
  C      -2.679643      4.268822     -0.553188
  N      -2.815107      3.049069     -0.060108
  C      -3.730360      2.219316     -0.632903
  C      -3.868405      4.927498      4.943788
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  C      -9.488171      5.130368      2.628286
  N     -10.155275      4.154203      2.031279
  C     -10.084860      2.925654      2.618605
  C     -10.722458      1.832400      1.982383
  C     -10.613193      0.572526      2.525923
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  H      -2.708021     -1.522878      4.120393
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  H      -1.443757      1.134316      0.966556
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  H      -5.124352     -0.882538     -0.381853
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  H      -4.954891      4.264397     -3.091594
  H      -3.274988      5.794917     -1.983262
  H      -1.937084      4.907806     -0.063347
  H      -2.983282      5.408479      4.475270
  H      -4.210326      5.635288      5.724142
  H      -5.453287      5.768329      3.773937
  H      -5.736727      4.088215      4.269041
  H      -3.845874      3.379349      2.716960
  H      -3.810545      5.035788      2.068240
  H      -5.144377      6.591962      1.566955
  H      -6.455322      8.033231      0.066933
  H      -9.431667      5.382559     -2.215496
  H      -9.942334      2.906845     -2.190824
  H      -8.637496      1.427248     -0.652859
  H      -7.029568      0.347124      7.511745
  H      -6.962699      1.146318      5.922508
  H      -6.546023      3.314011      7.615307
  H      -7.631277      2.334126      8.613594
  H      -9.043546      3.780949      7.334053
  H      -9.156789      2.197183      6.488386
  H      -8.242978      5.839242      4.265309
  H      -9.522532      6.110349      2.141202
  H     -11.270105      2.026153      1.058602
  H     -11.082299     -0.292179      2.054649
  H      -9.756221     -0.588869      4.155014
  N      -5.173410      1.709158      4.234705
99
Coordinates from ORCA-job orca E -6428.949842654072
  N      -2.703091      0.431883      4.894974
  Mo     -4.055275      1.784541      5.469189
  N      -5.198176      1.233470      6.999464
  C      -4.670187      1.142111      8.355240
  C      -3.176258      0.827950      8.350063
  N      -2.483022      1.677144      7.377359
  C      -1.268026      1.091043      6.804904
  C      -1.622946      0.014464      5.787247
  C      -2.349559      3.081970      7.771795
  C      -2.348396      3.990624      6.546010
  N      -3.451272      3.692261      5.624452
  H      -0.708642     -0.221937      5.212022
  H      -1.907771     -0.928833      6.297885
  H      -0.723919      1.897789      6.292935
  H      -0.597615      0.681014      7.585976
  H      -2.436444      5.031488      6.908563
  H      -1.374437      3.936279      6.019522
  H      -3.221216      3.335722      8.391580
  H      -1.441634      3.254889      8.383855
  H      -5.196220      0.341646      8.910460
  H      -4.861993      2.077752      8.918912
  H      -3.035346     -0.215085      8.031998
  H      -2.752412      0.929754      9.368716
  C      -2.815568     -0.470592      3.746304
  C      -1.787903     -0.193457      2.632985
  C      -2.226342      0.884330      1.659072
  O      -3.329438      0.312161      0.911506
  C      -3.932727      0.897179     -0.139334
  C      -4.877494      0.107426     -0.788849
  C      -5.573448      0.602284     -1.898992
  N      -5.423722      1.818982     -2.407787
  C      -4.522384      2.620812     -1.778142
  C      -4.358375      3.946551     -2.252698
  C      -3.455449      4.784918     -1.642036
  C      -2.700322      4.288235     -0.555754
  N      -2.818598      3.064194     -0.069479
  C      -3.722149      2.224812     -0.646739
  C      -3.878677      4.927940      4.959717
  C      -4.979087      4.788241      3.916443
  C      -4.440724      4.295207      2.583071
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  C      -6.155004      4.744721      0.964226
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  C      -6.696225      6.918883      0.065772
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  C      -9.144521      3.250121     -1.543320
  C      -8.398270      2.434018     -0.663870
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  C      -6.658327      1.230463      6.958362
  C      -7.292222      2.499496      7.577511
  C      -8.474740      3.016491      6.782731
  O      -7.941470      3.670019      5.595684
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  C      -8.726329      5.019296      3.846138
  C      -9.446850      5.181522      2.647162
  N     -10.132774      4.221128      2.045763
  C     -10.087852      2.989096      2.628546
  C     -10.749826      1.911907      1.989572
  C     -10.669638      0.648676      2.530549
  C      -9.928928      0.464180      3.720851
  N      -9.311740      1.440120      4.366703
  C      -9.381628      2.695603      3.844041
  H      -2.691136     -1.512151      4.099897
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  H      -0.826482      0.113611      3.075010
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  H      -1.967378      4.935164     -0.061927
  H      -2.993626      5.412850      4.495217
  H      -4.224057      5.631503      5.742275
  H      -5.464084      5.768104      3.789584
  H      -5.741946      4.084061      4.275459
  H      -3.827409      3.400566      2.728690
  H      -3.824320      5.057090      2.079435
  H      -5.178328      6.585959      1.565769
  H      -6.505199      7.997705      0.050758
  H      -9.433827      5.287799     -2.223527
  H      -9.910104      2.804761     -2.180360
  H      -8.592819      1.357203     -0.623419
  H      -7.041102      0.336413      7.488560
  H      -6.964284      1.151881      5.908123
  H      -6.533791      3.298995      7.614560
  H      -7.620495      2.320373      8.613224
  H      -9.029879      3.784347      7.347275
  H      -9.155478      2.207465      6.489547
  H      -8.189478      5.859061      4.288052
  H      -9.461770      6.164243      2.164510
  H     -11.293682      2.120399      1.066666
  H     -11.158178     -0.204160      2.057154
  H      -9.842445     -0.535318      4.158956
  N      -5.170335      1.708235      4.226829
99
Coordinates from ORCA-job orca E -6428.949860607944
  N      -2.703902      0.415499      4.900361
  Mo     -4.050392      1.777871      5.464719
  N      -5.198347      1.240424      6.996645
  C      -4.672330      1.153677      8.353222
  C      -3.179849      0.833236      8.351489
  N      -2.481809      1.674298      7.375246
  C      -1.268374      1.080583      6.807489
  C      -1.625464     -0.000368      5.795339
  C      -2.342688      3.080596      7.762693
  C      -2.339485      3.982620      6.532094
  N      -3.446351      3.685006      5.614678
  H      -0.711605     -0.242208      5.221529
  H      -1.913175     -0.940090      6.310935
  H      -0.720635      1.882407      6.291624
  H      -0.600423      0.672427      7.591746
  H      -2.420470      5.025747      6.889266
  H      -1.367311      3.919032      6.003465
  H      -3.212499      3.340602      8.382560
  H      -1.433031      3.253844      8.372216
  H      -5.202214      0.358013      8.911777
  H      -4.860869      2.092921      8.912023
  H      -3.042375     -0.212063      8.039397
  H      -2.756867      0.939046      9.370155
  C      -2.814510     -0.487704      3.752770
  C      -1.789777     -0.203969      2.638997
  C      -2.231583      0.878743      1.672388
  O      -3.339530      0.311654      0.928044
  C      -3.946205      0.901274     -0.118428
  C      -4.903363      0.119331     -0.759110
  C      -5.601937      0.618467     -1.865914
  N      -5.442920      1.832000     -2.379206
  C      -4.529407      2.626230     -1.757742
  C      -4.353117      3.948087     -2.239071
  C      -3.435107      4.777905     -1.639013
  C      -2.676951      4.276160     -0.557344
  N      -2.806759      3.055694     -0.064938
  C      -3.725620      2.225269     -0.630881
  C      -3.881441      4.920000      4.954449
  C      -4.983579      4.777764      3.913488
  C      -4.446635      4.286759      2.578643
  O      -5.495987      3.851556      1.693091
  C      -6.157810      4.756970      0.963665
  C      -5.924750      6.126554      0.946414
  C      -6.685411      6.942560      0.084528
  N      -7.634951      6.520640     -0.736750
  C      -7.887942      5.176061     -0.722917
  C      -8.893249      4.655283     -1.573040
  C      -9.158827      3.304210     -1.555572
  C      -8.420124      2.475662     -0.681573
  N      -7.469797      2.913420      0.127205
  C      -7.194373      4.242605      0.109684
  C      -6.657994      1.248736      6.953025
  C      -7.280975      2.529089      7.558735
  C      -8.470069      3.038057      6.768842
  O      -7.947419      3.687036      5.574699
  C      -8.713442      3.784975      4.461823
  C      -8.767069      5.012777      3.821066
  C      -9.493505      5.151295      2.622425
  N     -10.160415      4.172354      2.029378
  C     -10.088699      2.945628      2.620937
  C     -10.729382      1.849809      1.991824
  C     -10.618619      0.592351      2.540310
  C      -9.869576      0.432334      3.728872
  N      -9.272950      1.426191      4.366512
  C      -9.372989      2.675807      3.835875
  H      -2.684061     -1.528653      4.106129
  H      -3.827986     -0.411718      3.338994
  H      -0.828089      0.101407      3.081248
  H      -1.596182     -1.125412      2.066548
  H      -1.431261      1.161860      0.976342
  H      -2.566185      1.783983      2.196511
  H      -5.098373     -0.886271     -0.385479
  H      -6.341342     -0.022631     -2.357206
  H      -4.970879      4.271197     -3.078575
  H      -3.286726      5.803411     -1.980170
  H      -1.931259      4.915525     -0.072696
  H      -3.000431      5.410330      4.488080
  H      -4.227740      5.619575      5.740400
  H      -5.472382      5.755766      3.789794
  H      -5.743509      4.070515      4.271802
  H      -3.838390      3.387843      2.721776
  H      -3.825266      5.047360      2.079177
  H      -5.166156      6.585591      1.578019
  H      -6.487398      8.020304      0.079234
  H      -9.434107      5.349122     -2.218698
  H      -9.926500      2.869682     -2.197671
  H      -8.622215      1.400095     -0.650616
  H      -7.049473      0.363615      7.492053
  H      -6.963816      1.162177      5.903340
  H      -6.519428      3.326393      7.575708
  H      -7.598722      2.367031      8.600615
  H      -9.025677      3.805721      7.333293
  H      -9.149414      2.224871      6.483796
  H      -8.247282      5.866894      4.256184
  H      -9.529840      6.129799      2.132476
  H     -11.280540      2.040051      1.069477
  H     -11.088550     -0.274642      2.073774
  H      -9.758890     -0.562000      4.172986
  N      -5.164151      1.702165      4.221253
99
Coordinates from ORCA-job orca E -6428.949870232187
  N      -2.711186      0.413692      4.898213
  Mo     -4.052481      1.780936      5.462690
  N      -5.199064      1.249676      6.997547
  C      -4.671371      1.165161      8.353648
  C      -3.180210      0.839078      8.350551
  N      -2.480350      1.674900      7.371250
  C      -1.270340      1.074526      6.803094
  C      -1.633837     -0.006254      5.792937
  C      -2.334908      3.081381      7.755623
  C      -2.330296      3.980876      6.523195
  N      -3.439758      3.686010      5.608570
  H      -0.722070     -0.253625      5.218267
  H      -1.926003     -0.943678      6.310049
  H      -0.719373      1.872897      6.285447
  H      -0.603564      0.664465      7.587277
  H      -2.406281      5.025131      6.878290
  H      -1.359316      3.912288      5.993159
  H      -3.202536      3.346169      8.376408
  H      -1.423520      3.252036      8.363218
  H      -5.203227      0.373002      8.915188
  H      -4.855844      2.106641      8.909979
  H      -3.047201     -0.207480      8.040864
  H      -2.755408      0.945663      9.368331
  C      -2.825280     -0.488792      3.750200
  C      -1.794203     -0.213752      2.639603
  C      -2.223292      0.872880      1.671510
  O      -3.331692      0.314854      0.921013
  C      -3.934019      0.914098     -0.122516
  C      -4.895100      0.141309     -0.768537
  C      -5.589634      0.650489     -1.873219
  N      -5.423185      1.865969     -2.379629
  C      -4.505372      2.651299     -1.753152
  C      -4.321109      3.974800     -2.226989
  C      -3.398544      4.795790     -1.622015
  C      -2.644165      4.283605     -0.542423
  N      -2.781551      3.061330     -0.056655
  C      -3.705013      2.239439     -0.627716
  C      -3.866549      4.921406      4.943319
  C      -4.972001      4.784554      3.905045
  C      -4.441464      4.283739      2.571484
  O      -5.496129      3.847311      1.693262
  C      -6.160465      4.750957      0.964089
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  C      -6.692653      6.934161      0.081969
  N      -7.645423      6.509891     -0.734261
  C      -7.898447      5.165479     -0.715134
  C      -8.908946      4.642618     -1.557961
  C      -9.174628      3.291764     -1.535157
  C      -8.430156      2.465508     -0.663584
  N      -7.475410      2.905304      0.138695
  C      -7.201022      4.234429      0.116797
  C      -6.658814      1.257071      6.955387
  C      -7.282687      2.538658      7.557791
  C      -8.474204      3.042015      6.767568
  O      -7.954656      3.679915      5.565711
  C      -8.722522      3.772726      4.453512
  C      -8.772176      4.997023      3.805842
  C      -9.502706      5.132704      2.609574
  N     -10.176389      4.154082      2.024126
  C     -10.108911      2.930312      2.621871
  C     -10.755681      1.834342      1.999256
  C     -10.649729      0.579058      2.553589
  C      -9.898237      0.421340      3.740755
  N      -9.294458      1.415330      4.371438
  C      -9.390857      2.663412      3.836090
  H      -2.705607     -1.530932      4.103685
  H      -3.836739     -0.403522      3.332933
  H      -0.831309      0.083643      3.084917
  H      -1.606283     -1.136744      2.067765
  H      -1.417492      1.150931      0.979900
  H      -2.553650      1.780116      2.194683
  H      -5.096145     -0.865280     -0.400920
  H      -6.331968      0.016451     -2.369181
  H      -4.937081      4.306040     -3.064672
  H      -3.244155      5.822212     -1.957607
  H      -1.894249      4.915576     -0.054687
  H      -2.982404      5.402448      4.473178
  H      -4.205281      5.627468      5.726692
  H      -5.452406      5.766476      3.777822
  H      -5.737572      4.085647      4.267937
  H      -3.836237      3.383589      2.717532
  H      -3.819206      5.039002      2.065055
  H      -5.167985      6.581658      1.570816
  H      -6.494914      8.011848      0.072877
  H      -9.453332      5.335010     -2.202371
  H      -9.946281      2.855323     -2.171369
  H      -8.632296      1.390110     -0.628349
  H      -7.049310      0.372982      7.496681
  H      -6.965480      1.167687      5.906313
  H      -6.522353      3.337296      7.569123
  H      -7.597446      2.380831      8.601124
  H      -9.026841      3.815502      7.327007
  H      -9.154828      2.227111      6.492026
  H      -8.246207      5.850637      4.234018
  H      -9.535804      6.108718      2.114443
  H     -11.308123      2.022558      1.077248
  H     -11.125149     -0.287977      2.092679
  H      -9.790655     -0.571687      4.188983
  N      -5.168730      1.706453      4.221249
99
Coordinates from ORCA-job orca E -6428.949876437698
  N      -2.705589      0.409174      4.900756
  Mo     -4.049876      1.775593      5.460325
  N      -5.196767      1.247154      6.996025
  C      -4.669707      1.165688      8.352489
  C      -3.178005      0.842199      8.351114
  N      -2.478772      1.677309      7.370558
  C      -1.267200      1.077704      6.804960
  C      -1.628396     -0.006634      5.797831
  C      -2.336233      3.084989      7.751753
  C      -2.333218      3.981559      6.517046
  N      -3.442284      3.682378      5.603144
  H      -0.715957     -0.254731      5.224618
  H      -1.919910     -0.942792      6.317619
  H      -0.717559      1.875687      6.285232
  H      -0.600060      0.671200      7.590727
  H      -2.410912      5.026616      6.869391
  H      -1.362103      3.913164      5.987204
  H      -3.204460      3.349514      8.371805
  H      -1.425227      3.258812      8.359028
  H      -5.200659      0.373619      8.915113
  H      -4.856049      2.107805      8.907175
  H      -3.042813     -0.204797      8.043802
  H      -2.754223      0.951669      9.369050
  C      -2.816265     -0.496699      3.754966
  C      -1.785367     -0.220903      2.644331
  C      -2.216895      0.862720      1.674002
  O      -3.321853      0.299590      0.922266
  C      -3.927677      0.898331     -0.119332
  C      -4.888325      0.124153     -0.764350
  C      -5.586409      0.633272     -1.866796
  N      -5.424426      1.850143     -2.371405
  C      -4.507225      2.636837     -1.745678
  C      -4.328717      3.962237     -2.216237
  C      -3.407483      4.784830     -1.611317
  C      -2.648948      4.272552     -0.534617
  N      -2.781256      3.048615     -0.051602
  C      -3.702952      2.224982     -0.622992
  C      -3.875566      4.916593      4.939472
  C      -4.981321      4.777304      3.901731
  C      -4.449918      4.284455      2.565543
  O      -5.503714      3.850286      1.685022
  C      -6.170942      4.756603      0.961580
  C      -5.942352      6.127044      0.948258
  C      -6.709394      6.943799      0.092744
  N      -7.661083      6.521772     -0.725801
  C      -7.910052      5.176438     -0.715052
  C      -8.918959      4.655836     -1.561062
  C      -9.180637      3.304090     -1.546756
  C      -8.433828      2.474556     -0.680361
  N      -7.480382      2.912190      0.124660
  C      -7.209874      4.242240      0.111068
  C      -6.656508      1.254899      6.953216
  C      -7.280403      2.535612      7.557639
  C      -8.471781      3.040681      6.768154
  O      -7.951991      3.684764      5.569687
  C      -8.718553      3.780946      4.456784
  C      -8.773000      5.008868      3.816490
  C      -9.503955      5.148621      2.620760
  N     -10.173379      4.170709      2.029269
  C     -10.100976      2.943687      2.619758
  C     -10.742759      1.848701      1.990386
  C     -10.631922      0.590767      2.537739
  C      -9.880742      0.429389      3.724689
  N      -9.281667      1.422187      4.361497
  C      -9.382478      2.672711      3.832826
  H      -2.693406     -1.537631      4.110954
  H      -3.827765     -0.415907      3.336905
  H      -0.823617      0.080057      3.089745
  H      -1.594366     -1.144265      2.074217
  H      -1.411068      1.143075      0.983492
  H      -2.551763      1.769234      2.195522
  H      -5.086222     -0.883445     -0.397695
  H      -6.328367     -0.001805     -2.362060
  H      -4.948152      4.293714     -3.051204
  H      -3.257630      5.812704     -1.944513
  H      -1.900070      4.905841     -0.046987
  H      -2.993943      5.402587      4.469612
  H      -4.216974      5.619871      5.724142
  H      -5.466770      5.757323      3.778700
  H      -5.743465      4.073351      4.262620
  H      -3.842836      3.385044      2.706954
  H      -3.829270      5.043535      2.062644
  H      -5.182761      6.586292      1.578312
  H      -6.514475      8.022054      0.089902
  H      -9.465343      5.350563     -2.201120
  H      -9.950897      2.869410     -2.185611
  H      -8.633285      1.398351     -0.651445
  H      -7.047834      0.370034      7.492753
  H      -6.962720      1.167481      5.903686
  H      -6.520032      3.334238      7.569749
  H      -7.594436      2.376446      8.600988
  H      -9.026016      3.811039      7.330161
  H      -9.150931      2.225913      6.488361
  H      -8.250657      5.862028      4.250250
  H      -9.540901      6.127307      2.131268
  H     -11.295663      2.040090      1.069287
  H     -11.103474     -0.275538      2.071713
  H      -9.769310     -0.565628      4.167307
  N      -5.165109      1.697054      4.218208
99
Coordinates from ORCA-job orca E -6428.949882440247
  N      -2.705465      0.406567      4.899554
  Mo     -4.049298      1.774153      5.457019
  N      -5.196589      1.248237      6.993458
  C      -4.670020      1.167774      8.350099
  C      -3.178579      0.843402      8.349501
  N      -2.478466      1.676807      7.368038
  C      -1.267212      1.075206      6.803837
  C      -1.629487     -0.009982      5.798059
  C      -2.334588      3.084820      7.747800
  C      -2.331727      3.979938      6.511989
  N      -3.442407      3.681063      5.599973
  H      -0.717374     -0.260663      5.225593
  H      -1.923295     -0.944773      6.318947
  H      -0.716488      1.871867      6.283213
  H      -0.600954      0.669030      7.590515
  H      -2.407029      5.025627      6.862879
  H      -1.361370      3.908814      5.981088
  H      -3.202131      3.350766      8.368207
  H      -1.422934      3.258461      8.354133
  H      -5.201599      0.376533      8.913321
  H      -4.855988      2.110503      8.903865
  H      -3.043845     -0.204073      8.043626
  H      -2.755027      0.953937      9.367434
  C      -2.814403     -0.498595      3.753136
  C      -1.781004     -0.222522      2.644935
  C      -2.209940      0.862505      1.675022
  O      -3.310238      0.298721      0.916884
  C      -3.918024      0.901743     -0.121190
  C      -4.880367      0.130275     -0.766945
  C      -5.580423      0.643408     -1.866231
  N      -5.418871      1.861881     -2.367036
  C      -4.499719      2.645814     -1.740838
  C      -4.320923      3.972445     -2.207733
  C      -3.396599      4.791919     -1.603243
  C      -2.635105      4.275192     -0.530825
  N      -2.768082      3.050168     -0.050743
  C      -3.692989      2.229667     -0.621448
  C      -3.877785      4.915063      4.937556
  C      -4.983551      4.774475      3.900054
  C      -4.451681      4.283118      2.563358
  O      -5.504523      3.846622      1.682607
  C      -6.173435      4.751406      0.958516
  C      -5.945503      6.121946      0.942194
  C      -6.714146      6.936689      0.086198
  N      -7.667079      6.512608     -0.729925
  C      -7.915377      5.167184     -0.716228
  C      -8.925597      4.644491     -1.559422
  C      -9.186937      3.292667     -1.541706
  C      -8.438485      2.465281     -0.674726
  N      -7.483675      2.904874      0.127502
  C      -7.213237      4.234883      0.110392
  C      -6.656290      1.255828      6.950038
  C      -7.280623      2.535149      7.556641
  C      -8.473660      3.039503      6.769005
  O      -7.954986      3.686511      5.571726
  C      -8.721526      3.783943      4.458961
  C      -8.773364      5.011803      3.818381
  C      -9.503028      5.152368      2.621917
  N     -10.174415      4.175635      2.030794
  C     -10.105327      2.948763      2.622143
  C     -10.750950      1.855195      1.994144
  C     -10.644289      0.597565      2.543087
  C      -9.893353      0.435075      3.730121
  N      -9.290978      1.426668      4.365798
  C      -9.387594      2.676819      3.835407
  H      -2.693241     -1.539921      4.108575
  H      -3.824875     -0.416559      3.332827
  H      -0.820000      0.077300      3.092617
  H      -1.589355     -1.145306      2.074129
  H      -1.401474      1.145980      0.988862
  H      -2.549062      1.767236      2.196995
  H      -5.078263     -0.878343     -0.403070
  H      -6.324024      0.010598     -2.361914
  H      -4.942554      4.307216     -3.039729
  H      -3.246492      5.820590     -1.933841
  H      -1.883706      4.905934     -0.043755
  H      -2.997237      5.402913      4.467637
  H      -4.220225      5.617158      5.722858
  H      -5.470360      5.753840      3.777914
  H      -5.744783      4.069442      4.260557
  H      -3.842268      3.385105      2.704313
  H      -3.833028      5.043729      2.060248
  H      -5.184881      6.582656      1.569950
  H      -6.519774      8.015046      0.080970
  H      -9.473349      5.337805     -2.199835
  H      -9.958108      2.856233     -2.178221
  H      -8.637674      1.389098     -0.643015
  H      -7.048303      0.369791      7.487212
  H      -6.961812      1.170893      5.900192
  H      -6.521165      3.334708      7.567113
  H      -7.591857      2.375344      8.600677
  H      -9.028845      3.808012      7.332497
  H      -9.151583      2.224013      6.487824
  H      -8.249626      5.863991      4.252388
  H      -9.537472      6.130817      2.131714
  H     -11.303604      2.047355      1.073011
  H     -11.119004     -0.267706      2.078256
  H      -9.785085     -0.559815      4.173739
  N      -5.164406      1.695775      4.214636
99
Coordinates from ORCA-job orca E -6428.949887656337
  N      -2.703553      0.397097      4.900723
  Mo     -4.045415      1.769638      5.450128
  N      -5.195023      1.252894      6.988112
  C      -4.670310      1.177869      8.345681
  C      -3.179672      0.850124      8.348561
  N      -2.476398      1.677152      7.363897
  C      -1.266148      1.069286      6.804240
  C      -1.630754     -0.019469      5.803230
  C      -2.328872      3.086491      7.737578
  C      -2.324643      3.975923      6.497624
  N      -3.438020      3.676445      5.588994
  H      -0.718870     -0.276698      5.233404
  H      -1.929492     -0.950423      6.328075
  H      -0.712380      1.861655      6.280294
  H      -0.602175      0.664991      7.593800
  H      -2.395188      5.023597      6.843297
  H      -1.355446      3.897911      5.965699
  H      -3.195344      3.357272      8.357386
  H      -1.416346      3.260302      8.342520
  H      -5.204362      0.390579      8.912116
  H      -4.854803      2.123698      8.894648
  H      -3.046856     -0.199155      8.048121
  H      -2.757199      0.964761      9.366474
  C      -2.809500     -0.508989      3.754837
  C      -1.772336     -0.232958      2.650394
  C      -2.196810      0.854544      1.681357
  O      -3.290595      0.291003      0.913551
  C      -3.902385      0.902583     -0.117277
  C      -4.869602      0.137471     -0.763289
  C      -5.572340      0.658342     -1.857191
  N      -5.409004      1.878829     -2.352336
  C      -4.484918      2.656613     -1.725877
  C      -4.303214      3.984705     -2.187289
  C      -3.372037      4.797385     -1.584029
  C      -2.606582      4.272307     -0.518595
  N      -2.742641      3.045789     -0.043106
  C      -3.674555      2.232106     -0.612168
  C      -3.876959      4.909586      4.927531
  C      -4.984511      4.767020      3.892181
  C      -4.454318      4.278307      2.553835
  O      -5.508284      3.843053      1.673588
  C      -6.183023      4.749900      0.957371
  C      -5.958585      6.121043      0.947311
  C      -6.733782      6.938484      0.099871
  N      -7.689980      6.516442     -0.713547
  C      -7.934692      5.170338     -0.706062
  C      -8.947975      4.649704     -1.546884
  C      -9.206215      3.297228     -1.534772
  C      -8.451647      2.467175     -0.675683
  N      -7.493635      2.904765      0.123775
  C      -7.225927      4.235348      0.111907
  C      -6.654525      1.263876      6.942939
  C      -7.276043      2.545906      7.546003
  C      -8.472377      3.045787      6.760514
  O      -7.957343      3.689527      5.559870
  C      -8.727449      3.783955      4.449312
  C      -8.780987      5.009995      3.805421
  C      -9.515389      5.147440      2.611457
  N     -10.189605      4.169329      2.025979
  C     -10.118162      2.943901      2.620072
  C     -10.766429      1.848761      1.997545
  C     -10.657415      0.592520      2.549316
  C      -9.901378      0.433045      3.733532
  N      -9.296460      1.426277      4.364283
  C      -9.395573      2.675106      3.831121
  H      -2.690098     -1.550199      4.111090
  H      -3.818500     -0.426404      3.331033
  H      -0.812362      0.064788      3.101702
  H      -1.580069     -1.154951      2.078512
  H      -1.384314      1.142372      1.001896
  H      -2.541766      1.756649      2.204306
  H      -5.069324     -0.872325     -0.403712
  H      -6.320024      0.030529     -2.353026
  H      -4.927955      4.325951     -3.014304
  H      -3.219377      5.826912     -1.910774
  H      -1.849197      4.897242     -0.033333
  H      -2.998452      5.399255      4.455781
  H      -4.219283      5.610950      5.713565
  H      -5.473578      5.745548      3.772059
  H      -5.743869      4.060372      4.253390
  H      -3.843907      3.380317      2.691830
  H      -3.837068      5.040313      2.051120
  H      -5.195710      6.580168      1.573556
  H      -6.542296      8.017357      0.099662
  H      -9.500657      5.345166     -2.180724
  H      -9.979926      2.862289     -2.169296
  H      -8.648562      1.390448     -0.648156
  H      -7.049915      0.379892      7.481087
  H      -6.958845      1.177981      5.892891
  H      -6.516834      3.345829      7.547375
  H      -7.581187      2.392151      8.592672
  H      -9.027134      3.815464      7.322809
  H      -9.149901      2.228469      6.483612
  H      -8.255459      5.863150      4.235261
  H      -9.551760      6.124575      2.118751
  H     -11.322858      2.038455      1.078187
  H     -11.134174     -0.273959      2.088801
  H      -9.791178     -0.560782      4.179096
  N      -5.159455      1.690240      4.206666
99
Coordinates from ORCA-job orca E -6428.949890560772
  N      -2.705701      0.396664      4.899885
  Mo     -4.045959      1.771034      5.448265
  N      -5.195058      1.257431      6.987611
  C      -4.670350      1.184117      8.345242
  C      -3.180198      0.854342      8.348517
  N      -2.475948      1.678500      7.362150
  C      -1.267170      1.067301      6.802911
  C      -1.634813     -0.022106      5.803809
  C      -2.325399      3.088036      7.733917
  C      -2.320821      3.975548      6.492632
  N      -3.436229      3.677144      5.586168
  H      -0.723664     -0.283727      5.234874
  H      -1.937254     -0.950933      6.330255
  H      -0.712057      1.857609      6.277264
  H      -0.603672      0.662881      7.592825
  H      -2.388131      5.024013      6.836430
  H      -1.352626      3.893913      5.959451
  H      -3.190791      3.361265      8.354170
  H      -1.411936      3.260812      8.337734
  H      -5.205401      0.398541      8.913107
  H      -4.853494      2.131131      8.892591
  H      -3.048938     -0.195728      8.050192
  H      -2.757313      0.970444      9.366098
  C      -2.812186     -0.509241      3.753845
  C      -1.772401     -0.236079      2.651224
  C      -2.192345      0.852482      1.681332
  O      -3.281389      0.288856      0.906816
  C      -3.896393      0.905745     -0.118955
  C      -4.868851      0.145463     -0.762835
  C      -5.574688      0.671341     -1.852284
  N      -5.409686      1.892574     -2.344985
  C      -4.480226      2.665626     -1.720767
  C      -4.295623      3.994038     -2.180124
  C      -3.357680      4.801514     -1.580343
  C      -2.588485      4.270928     -0.520331
  N      -2.727405      3.044090     -0.046362
  C      -3.665978      2.235591     -0.611859
  C      -3.874644      4.910521      4.924661
  C      -4.982739      4.768739      3.889831
  C      -4.453496      4.278124      2.551902
  O      -5.507973      3.842808      1.672128
  C      -6.182135      4.749604      0.955178
  C      -5.954625      6.120216      0.941673
  C      -6.728950      6.937476      0.093256
  N      -7.686972      6.515688     -0.718151
  C      -7.934791      5.170150     -0.707181
  C      -8.950408      4.649911     -1.545382
  C      -9.212382      3.298210     -1.529161
  C      -8.459232      2.468503     -0.668469
  N      -7.498920      2.905663      0.128378
  C      -7.227420      4.235463      0.112384
  C      -6.654533      1.265983      6.942278
  C      -7.278425      2.546147      7.546706
  C      -8.476723      3.042772      6.762264
  O      -7.963704      3.686240      5.560501
  C      -8.733833      3.778181      4.449834
  C      -8.787123      5.003372      3.804193
  C      -9.522587      5.139762      2.610850
  N     -10.197561      4.161180      2.027061
  C     -10.125633      2.936368      2.622243
  C     -10.773831      1.840648      2.000736
  C     -10.663819      0.584728      2.553004
  C      -9.906671      0.426190      3.736603
  N      -9.301732      1.420011      4.366411
  C      -9.402225      2.668647      3.833072
  H      -2.696582     -1.550839      4.110257
  H      -3.820152     -0.423528      3.328167
  H      -0.812156      0.058781      3.103789
  H      -1.581775     -1.158503      2.079474
  H      -1.376391      1.142027      1.006722
  H      -2.540970      1.753694      2.203486
  H      -5.070436     -0.864506     -0.404797
  H      -6.326678      0.047327     -2.346399
  H      -4.923398      4.339384     -3.003198
  H      -3.202373      5.831016     -1.906017
  H      -1.825293      4.891450     -0.038491
  H      -2.995960      5.399332      4.452387
  H      -4.216076      5.612373      5.710674
  H      -5.470316      5.747942      3.768915
  H      -5.743164      4.063668      4.251846
  H      -3.843960      3.379609      2.690523
  H      -3.835593      5.038959      2.048298
  H      -5.189618      6.579107      1.565482
  H      -6.534808      8.015892      0.090013
  H      -9.501929      5.345292     -2.180292
  H      -9.988331      2.863609     -2.161158
  H      -8.659371      1.392438     -0.637340
  H      -7.048582      0.380481      7.478951
  H      -6.958423      1.181060      5.892049
  H      -6.521430      3.348177      7.547354
  H      -7.581878      2.391386      8.593707
  H      -9.032325      3.812056      7.324258
  H      -9.152716      2.223869      6.486624
  H      -8.260979      5.856792      4.232817
  H      -9.558846      6.116251      2.116942
  H     -11.330747      2.029532      1.081515
  H     -11.140634     -0.282138      2.093302
  H      -9.795598     -0.567410      4.182454
  N      -5.160614      1.692661      4.205172
99
Coordinates from ORCA-job orca E -6428.949892688306
  N      -2.705777      0.393901      4.900536
  Mo     -4.045155      1.769937      5.446781
  N      -5.193941      1.259319      6.987243
  C      -4.669161      1.188788      8.345040
  C      -3.179113      0.858281      8.348919
  N      -2.474726      1.679913      7.360593
  C      -1.266710      1.066696      6.801926
  C      -1.635572     -0.024429      5.805188
  C      -2.322837      3.090035      7.729543
  C      -2.317947      3.975111      6.486552
  N      -3.434064      3.675865      5.581112
  H      -0.724531     -0.288208      5.236990
  H      -1.939005     -0.951865      6.333538
  H      -0.711420      1.855470      6.274169
  H      -0.602932      0.663533      7.592247
  H      -2.384354      5.024300      6.828248
  H      -1.350086      3.891601      5.953086
  H      -3.187890      3.365126      8.349466
  H      -1.409134      3.263126      8.332916
  H      -5.204603      0.404813      8.914713
  H      -4.851728      2.137156      8.890222
  H      -3.048564     -0.192536      8.052956
  H      -2.755948      0.976544      9.366120
  C      -2.812273     -0.512431      3.754789
  C      -1.771305     -0.240445      2.653148
  C      -2.188379      0.849393      1.683423
  O      -3.275992      0.287323      0.905765
  C      -3.891992      0.908338     -0.116963
  C      -4.867582      0.152025     -0.760717
  C      -5.573587      0.681953     -1.848129
  N      -5.405684      1.903562     -2.338897
  C      -4.473234      2.672876     -1.714526
  C      -4.285555      4.001604     -2.171711
  C      -3.344701      4.805395     -1.571507
  C      -2.575731      4.270826     -0.513407
  N      -2.717362      3.043434     -0.041535
  C      -3.658776      2.238567     -0.607432
  C      -3.873225      4.908821      4.919135
  C      -4.982133      4.766304      3.885271
  C      -4.454309      4.274565      2.547281
  O      -5.510240      3.841089      1.668281
  C      -6.184948      4.749181      0.953577
  C      -5.956050      6.119549      0.940900
  C      -6.731188      6.938353      0.094728
  N      -7.690984      6.518299     -0.715497
  C      -7.939940      5.172966     -0.705569
  C      -8.956850      4.654343     -1.543209
  C      -9.219614      3.302798     -1.528322
  C      -8.466108      2.471597     -0.669404
  N      -7.504692      2.907247      0.126959
  C      -7.232256      4.236873      0.112144
  C      -6.653508      1.267271      6.942204
  C      -7.277901      2.548360      7.544069
  C      -8.476237      3.043008      6.758496
  O      -7.963621      3.683526      5.554890
  C      -8.735355      3.773766      4.445198
  C      -8.788182      4.997583      3.796778
  C      -9.526454      5.132616      2.605072
  N     -10.204726      4.153843      2.025307
  C     -10.132901      2.930204      2.622856
  C     -10.784257      1.834096      2.005359
  C     -10.674224      0.579055      2.559668
  C      -9.914070      0.421825      3.741472
  N      -9.306251      1.416115      4.367798
  C      -9.406603      2.663865      3.832335
  H      -2.697663     -1.553881      4.111895
  H      -3.819839     -0.426035      3.328296
  H      -0.810756      0.052194      3.106536
  H      -1.582095     -1.162892      2.080944
  H      -1.370704      1.139331      1.011116
  H      -2.537832      1.750252      2.205703
  H      -5.071395     -0.858071     -0.404303
  H      -6.328031      0.060932     -2.342274
  H      -4.913347      4.350190     -2.993393
  H      -3.186915      5.835097     -1.895346
  H      -1.810330      4.888365     -0.031251
  H      -2.994997      5.397524      4.445963
  H      -4.214247      5.611056      5.704996
  H      -5.469718      5.745418      3.763737
  H      -5.742230      4.061638      4.248671
  H      -3.846609      3.374792      2.685627
  H      -3.835115      5.034183      2.043407
  H      -5.189431      6.577205      1.563626
  H      -6.536149      8.016601      0.092344
  H      -9.508469      5.350815     -2.176862
  H      -9.996559      2.869533     -2.160045
  H      -8.666838      1.395648     -0.639304
  H      -7.046734      0.382665      7.480923
  H      -6.957584      1.179880      5.892236
  H      -6.521425      3.350833      7.544122
  H      -7.582062      2.394951      8.591094
  H      -9.031777      3.813699      7.318676
  H      -9.152474      2.223565      6.485093
  H      -8.259802      5.851198      4.222222
  H      -9.562493      6.108118      2.109184
  H     -11.343476      2.021835      1.087312
  H     -11.153358     -0.288056      2.102851
  H      -9.802763     -0.571082      4.188813
  N      -5.160056      1.690182      4.203966
99
Coordinates from ORCA-job orca E -6428.949894209291
  N      -2.704696      0.394690      4.900483
  Mo     -4.044481      1.770310      5.446883
  N      -5.193882      1.258273      6.986210
  C      -4.669945      1.188457      8.344470
  C      -3.179762      0.858194      8.349522
  N      -2.475004      1.679759      7.361459
  C      -1.266980      1.066552      6.802810
  C      -1.635672     -0.024359      5.805823
  C      -2.322953      3.089828      7.730441
  C      -2.316932      3.974957      6.487544
  N      -3.432453      3.675991      5.581137
  H      -0.724051     -0.288605      5.238680
  H      -1.939897     -0.951645      6.334022
  H      -0.711628      1.855305      6.275111
  H      -0.603205      0.663267      7.593074
  H      -2.383630      5.024107      6.829283
  H      -1.348767      3.891479      5.954685
  H      -3.188455      3.365120      8.349665
  H      -1.409754      3.262624      8.334671
  H      -5.205770      0.404838      8.914231
  H      -4.852826      2.137164      8.888954
  H      -3.048965     -0.192696      8.053948
  H      -2.757256      0.976926      9.366912
  C      -2.811028     -0.511355      3.754380
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  N      -7.504396      2.906651      0.131403
  C      -7.232074      4.236269      0.115426
  C      -6.653543      1.266504      6.940611
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  C      -8.474984      3.043310      6.753560
  O      -7.961405      3.681573      5.549114
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  C      -8.787422      4.996335      3.791955
  C      -9.528609      5.132347      2.602249
  N     -10.209425      4.154287      2.024032
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  C     -10.789870      1.834793      2.004628
  C     -10.679025      0.579442      2.558127
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  H      -5.071725     -0.856909     -0.401793
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  H      -2.992525      5.397788      4.446484
  H      -4.212067      5.611430      5.705220
  H      -5.467382      5.745973      3.763129
  H      -5.739750      4.062097      4.248767
  H      -3.844108      3.375127      2.686098
  H      -3.832097      5.034568      2.043879
  H      -5.188088      6.577581      1.563692
  H      -6.537498      8.016166      0.094275
  H      -9.511194      5.348787     -2.171383
  H      -9.998690      2.867627     -2.153088
  H      -8.667384      1.394557     -0.632646
  H      -7.046672      0.382722      7.480684
  H      -6.957252      1.177396      5.890661
  H      -6.520926      3.350521      7.542140
  H      -7.584352      2.395311      8.587038
  H      -9.029961      3.815434      7.312395
  H      -9.152234      2.224334      6.481326
  H      -8.257428      5.849558      4.216132
  H      -9.565331      6.108128      2.106970
  H     -11.351220      2.023061      1.087984
  H     -11.159372     -0.287292      2.101866
  H      -9.804633     -0.571623      4.185118
  N      -5.158570      1.690522      4.203417
99
Coordinates from ORCA-job orca E -6428.949895642198
  N      -2.705680      0.394691      4.899693
  Mo     -4.045579      1.770050      5.446622
  N      -5.194292      1.257769      6.986319
  C      -4.669847      1.188517      8.344452
  C      -3.179594      0.858661      8.349197
  N      -2.475358      1.679998      7.360599
  C      -1.267565      1.066738      6.801533
  C      -1.636753     -0.024462      5.805079
  C      -2.323229      3.090190      7.729056
  C      -2.317561      3.974962      6.485898
  N      -3.433235      3.675731      5.579767
  H      -0.725268     -0.289281      5.238009
  H      -1.941230     -0.951398      6.333764
  H      -0.712577      1.855365      6.273270
  H      -0.603332      0.663713      7.591558
  H      -2.384218      5.024184      6.827437
  H      -1.349558      3.891429      5.952738
  H      -3.188579      3.365697      8.348411
  H      -1.409872      3.263280      8.332969
  H      -5.205349      0.405003      8.914652
  H      -4.852715      2.137387      8.888644
  H      -3.048538     -0.192321      8.054078
  H      -2.756857      0.978027      9.366413
  C      -2.811882     -0.511254      3.753511
  C      -1.768934     -0.240275      2.653611
  C      -2.183384      0.849011      1.682144
  O      -3.266814      0.285110      0.899977
  C      -3.887148      0.909131     -0.118344
  C      -4.866075      0.155053     -0.759588
  C      -5.575379      0.687589     -1.843604
  N      -5.407567      1.909656     -2.333242
  C      -4.471741      2.676771     -1.711223
  C      -4.283537      4.005717     -2.167597
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  C      -2.567900      4.270448     -0.514557
  N      -2.709594      3.042617     -0.043777
  C      -3.654023      2.239813     -0.607564
  C      -3.872030      4.908908      4.917783
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  C      -4.452433      4.274194      2.545991
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  C      -6.654019      1.265793      6.941477
  C      -7.278085      2.547874      7.541701
  C      -8.474851      3.043522      6.754622
  O      -7.961145      3.681397      5.550069
  C      -8.734700      3.772831      4.441801
  C      -8.787639      4.996675      3.793367
  C      -9.529030      5.132797      2.603817
  N     -10.210175      4.154864      2.025698
  C     -10.137675      2.931092      2.622761
  C     -10.791352      1.835513      2.006732
  C     -10.680662      0.580185      2.560248
  C      -9.917786      0.422078      3.740153
  N      -9.307911      1.415840      4.365288
  C      -9.408505      2.663778      3.830351
  H      -2.698442     -1.552772      4.110829
  H      -3.818899     -0.423985      3.325880
  H      -0.808763      0.051343      3.108439
  H      -1.579710     -1.163106      2.081961
  H      -1.363297      1.140044      1.013278
  H      -2.536313      1.749510      2.202661
  H      -5.069984     -0.855253     -0.403841
  H      -6.332803      0.068390     -2.335442
  H      -4.913426      4.356289     -2.986805
  H      -3.180942      5.837163     -1.892648
  H      -1.800227      4.886316     -0.033908
  H      -2.993565      5.397510      4.444970
  H      -4.213140      5.610963      5.703730
  H      -5.468364      5.745338      3.761382
  H      -5.740634      4.061470      4.247238
  H      -3.844831      3.374483      2.684876
  H      -3.833138      5.033805      2.042206
  H      -5.188371      6.576253      1.560815
  H      -6.537355      8.014305      0.090453
  H      -9.511651      5.346232     -2.173674
  H     -10.000240      2.865375     -2.153343
  H      -8.670639      1.393133     -0.630629
  H      -7.046631      0.382125      7.482102
  H      -6.958344      1.176267      5.891716
  H      -6.520812      3.349480      7.544378
  H      -7.585567      2.394128      8.587776
  H      -9.029302      3.815952      7.313559
  H      -9.152616      2.224911      6.482549
  H      -8.257323      5.849802      4.217374
  H      -9.565463      6.108523      2.108424
  H     -11.353051      2.023902      1.090323
  H     -11.161282     -0.286461      2.104124
  H      -9.806109     -0.570956      4.187148
  N      -5.160001      1.689438      4.203555
99
Coordinates from ORCA-job orca E -6428.949896397920
  N      -2.706384      0.395027      4.898909
  Mo     -4.046398      1.770085      5.446440
  N      -5.194766      1.257198      6.986197
  C      -4.670018      1.188046      8.344251
  C      -3.179710      0.858582      8.348794
  N      -2.475766      1.679987      7.360037
  C      -1.268055      1.066742      6.800765
  C      -1.637566     -0.024416      5.804377
  C      -2.323700      3.090213      7.728394
  C      -2.318233      3.975001      6.485217
  N      -3.433997      3.675763      5.579241
  H      -0.726180     -0.289596      5.237368
  H      -1.942359     -0.951197      6.333155
  H      -0.713158      1.855359      6.272394
  H      -0.603705      0.663684      7.590669
  H      -2.384836      5.024195      6.826869
  H      -1.350314      3.891528      5.951887
  H      -3.188981      3.365737      8.347848
  H      -1.410262      3.263444      8.332150
  H      -5.205243      0.404362      8.914481
  H      -4.853055      2.136839      8.888519
  H      -3.048311     -0.192379      8.053762
  H      -2.756962      0.978161      9.365986
  C      -2.812381     -0.510716      3.752590
  C      -1.768095     -0.240557      2.653736
  C      -2.180949      0.848595      1.681477
  O      -3.262440      0.284139      0.896994
  C      -3.884139      0.909651     -0.119607
  C      -4.863974      0.156507     -0.760559
  C      -5.574540      0.690506     -1.843027
  N      -5.407122      1.913127     -2.331394
  C      -4.470251      2.679261     -1.709740
  C      -4.282208      4.008642     -2.164892
  C      -3.336826      4.809171     -1.567464
  C      -2.563787      4.270724     -0.514309
  N      -2.705417      3.042498     -0.044578
  C      -3.651170      2.240770     -0.607720
  C      -3.872892      4.908765      4.917095
  C      -4.981491      4.765810      3.882936
  C      -4.453032      4.272946      2.545503
  O      -5.508579      3.838266      1.666825
  C      -6.185315      4.745439      0.952978
  C      -5.956481      6.115745      0.937911
  C      -6.732933      6.933251      0.091663
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  C      -7.943059      5.166704     -0.703886
  C      -8.961218      4.646778     -1.539162
  C      -9.224671      3.295411     -1.520902
  C      -8.471082      2.465838     -0.660534
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  C      -7.234636      4.231967      0.114755
  C      -6.654517      1.265177      6.941875
  C      -7.278304      2.547432      7.542132
  C      -8.474477      3.044135      6.754820
  O      -7.960255      3.681471      5.550261
  C      -8.734289      3.774014      4.442374
  C      -8.787679      4.998288      3.794897
  C      -9.529260      5.134970      2.605484
  N     -10.210387      4.157340      2.026886
  C     -10.137922      2.933253      2.623338
  C     -10.792132      1.838053      2.007142
  C     -10.681551      0.582507      2.560152
  C      -9.918153      0.423754      3.739666
  N      -9.307807      1.417143      4.364918
  C      -9.408349      2.665308      3.830499
  H      -2.700264     -1.552415      4.109848
  H      -3.818938     -0.422429      3.324076
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  H      -1.578656     -1.163587      2.082480
  H      -1.359606      1.139905      1.014261
  H      -2.535289      1.748992      2.201199
  H      -5.067665     -0.854174     -0.405758
  H      -6.332800      0.072086     -2.334557
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  H      -3.178263      5.839242     -1.889725
  H      -1.794975      4.885655     -0.034270
  H      -2.994475      5.397376      4.444186
  H      -4.214087      5.610919      5.702921
  H      -5.469074      5.744738      3.760243
  H      -5.741517      4.061085      4.246633
  H      -3.845213      3.373456      2.685060
  H      -3.833868      5.032405      2.041298
  H      -5.188617      6.574299      1.558434
  H      -6.537886      8.011480      0.087375
  H      -9.513359      5.342009     -2.173727
  H     -10.002443      2.861310     -2.151041
  H      -8.673173      1.390246     -0.626956
  H      -7.046938      0.381713      7.482963
  H      -6.959265      1.175317      5.892269
  H      -6.520478      3.348525      7.545522
  H      -7.586482      2.393534      8.587974
  H      -9.028370      3.816990      7.313711
  H      -9.152822      2.225957      6.482817
  H      -8.257438      5.851246      4.219349
  H      -9.565784      6.110948      2.110577
  H     -11.354318      2.026967      1.091131
  H     -11.162602     -0.283852      2.103924
  H      -9.806488     -0.569468      4.186228
  N      -5.160926      1.689038      4.203526
