83
Coordinates from ORCA-job orca E -5355.343817831964
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
83
Coordinates from ORCA-job orca E -5365.957925631661
  N      -3.921969     -3.489715      2.512223
  C      -3.919234     -4.118583      1.192552
  C      -3.138429     -5.423209      1.259062
  N      -3.596772     -6.189634      2.436231
  C      -4.838097     -6.948926      2.158895
  C      -5.695667     -6.971095      3.432129
  N      -5.892487     -5.614215      3.921208
  Mo     -3.994389     -4.771907      4.022102
  N      -2.043582     -5.191948      4.422538
  C      -1.462433     -6.293235      3.659226
  C      -2.545530     -7.087690      2.935428
  H      -0.920982     -7.010306      4.302809
  H      -0.718245     -5.922084      2.927747
  H      -3.016050     -7.780820      3.645691
  H      -2.107800     -7.686803      2.115856
  H      -6.636056     -7.506612      3.217777
  H      -5.175632     -7.583655      4.191505
  H      -5.396179     -6.429276      1.374162
  H      -4.608736     -7.968470      1.804440
  H      -3.458109     -3.493897      0.414525
  H      -4.955603     -4.319529      0.861190
  H      -2.081614     -5.173050      1.411609
  H      -3.237782     -6.012983      0.332499
  C      -1.775503      0.504782      1.367870
  C      -1.628992     -0.409908      2.331799
  C      -0.870256     -0.097690      3.594850
  C      -2.150384     -1.819129      2.191519
  C      -3.674602     -2.047057      2.502200
  C      -4.559992     -1.307424      1.476805
  C      -4.002387     -1.463122      3.883330
  C      -7.391755     -5.803040      6.878215
  C      -8.283992     -5.281421      6.029819
  C      -9.319878     -4.291176      6.485045
  C      -8.324436     -5.673495      4.577859
  C      -7.206085     -5.035635      3.662064
  C      -7.693805     -5.238604      2.203157
  C      -7.143875     -3.515325      3.886940
  C      -3.257018     -5.303115      8.369554
  C      -2.796349     -5.877415      7.257651
  C      -3.696280     -6.681155      6.394289
  C      -1.386806     -5.756580      6.775536
  C      -1.209885     -4.783687      5.549907
  C       0.300307     -4.752855      5.215424
  C      -1.592010     -3.364472      5.989842
  H      -1.394366      1.518998      1.477397
  H      -2.278971      0.281520      0.428896
  H      -1.450875     -0.364988      4.486327
  H      -0.608123      0.964581      3.648839
  H       0.060024     -0.683700      3.622030
  H      -1.608184     -2.489457      2.873527
  H      -1.962777     -2.162467      1.164835
  H      -4.486680     -0.228239      1.640785
  H      -5.606646     -1.608594      1.606958
  H      -4.269500     -1.510597      0.440572
  H      -5.073474     -1.563131      4.090669
  H      -3.435615     -1.992156      4.656931
  H      -3.748067     -0.399358      3.908119
  H      -6.688683     -6.564946      6.545794
  H      -7.362478     -5.520571      7.929151
  H     -10.312513     -4.763462      6.465242
  H      -9.360577     -3.423498      5.814803
  H      -9.124402     -3.946317      7.506526
  H      -8.233826     -6.765636      4.491626
  H      -9.296241     -5.386081      4.157405
  H      -7.800678     -6.295501      1.933259
  H      -6.994887     -4.761479      1.506097
  H      -8.672776     -4.764420      2.075676
  H      -8.017627     -3.023929      3.444733
  H      -7.111032     -3.258958      4.951690
  H      -6.235418     -3.141922      3.403951
  H      -4.283395     -5.428508      8.707316
  H      -2.610294     -4.706021      9.004199
  H      -3.894726     -6.123231      5.459886
  H      -3.241457     -7.593378      6.125385
  H      -4.608420     -6.887074      6.878874
  H      -0.754125     -5.396679      7.593062
  H      -1.014322     -6.749762      6.475713
  H       0.727361     -5.753414      5.086189
  H       0.843641     -4.258494      6.028402
  H       0.465026     -4.181468      4.294347
  H      -2.678846     -3.284759      6.117663
  H      -1.102794     -3.106726      6.935662
  H      -1.274078     -2.649231      5.225166
83
Coordinates from ORCA-job orca E -5365.966841843499
  N      -3.906865     -3.491674      2.459583
  C      -3.895812     -4.132388      1.134649
  C      -3.123828     -5.439897      1.225784
  N      -3.598082     -6.201896      2.420565
  C      -4.856563     -6.961901      2.141752
  C      -5.708283     -6.966550      3.412405
  N      -5.886645     -5.595017      3.893596
  Mo     -3.991956     -4.754999      3.978554
  N      -2.049278     -5.191987      4.412156
  C      -1.460032     -6.309067      3.663225
  C      -2.543815     -7.105149      2.944432
  H      -0.928439     -7.023474      4.320958
  H      -0.702184     -5.952451      2.934654
  H      -3.029632     -7.785779      3.658974
  H      -2.107687     -7.719228      2.130922
  H      -6.658899     -7.495097      3.208158
  H      -5.191899     -7.580708      4.175989
  H      -5.406365     -6.441399      1.346304
  H      -4.624353     -7.985479      1.791241
  H      -3.421011     -3.514406      0.352975
  H      -4.931133     -4.330497      0.788460
  H      -2.062212     -5.200126      1.384122
  H      -3.219553     -6.046239      0.306766
  C      -1.731197      0.522273      1.337155
  C      -1.596368     -0.400757      2.305758
  C      -0.847190     -0.093075      3.578561
  C      -2.129031     -1.810280      2.159482
  C      -3.655592     -2.038805      2.465692
  C      -4.537685     -1.299628      1.438295
  C      -3.996042     -1.480167      3.857048
  C      -7.382613     -5.909002      6.879073
  C      -8.270841     -5.341360      6.046007
  C      -9.296274     -4.354144      6.541272
  C      -8.315889     -5.672520      4.574939
  C      -7.209783     -5.002273      3.666905
  C      -7.709422     -5.165535      2.207492
  C      -7.136087     -3.493728      3.954639
  C      -3.263545     -5.290191      8.412497
  C      -2.809684     -5.870307      7.291170
  C      -3.722997     -6.685979      6.434073
  C      -1.400388     -5.732676      6.794425
  C      -1.233551     -4.764562      5.561763
  C       0.275160     -4.708435      5.230605
  C      -1.661428     -3.355516      5.992042
  H      -1.344152      1.540578      1.456088
  H      -2.230325      0.298624      0.387792
  H      -1.439281     -0.356581      4.471114
  H      -0.573357      0.971471      3.638619
  H       0.081074     -0.691845      3.621688
  H      -1.587721     -2.488666      2.840645
  H      -1.941470     -2.156279      1.128928
  H      -4.468539     -0.213943      1.599897
  H      -5.589902     -1.604040      1.564383
  H      -4.240707     -1.504102      0.397723
  H      -5.072559     -1.587073      4.061134
  H      -3.432801     -2.016088      4.638117
  H      -3.744145     -0.410548      3.907735
  H      -6.678502     -6.664066      6.517308
  H      -7.351697     -5.658222      7.945010
  H     -10.304151     -4.806329      6.496434
  H      -9.323789     -3.451590      5.906716
  H      -9.101489     -4.052430      7.582043
  H      -8.232439     -6.764422      4.439059
  H      -9.295599     -5.367289      4.170876
  H      -7.815854     -6.221021      1.909628
  H      -7.016081     -4.668253      1.509391
  H      -8.696465     -4.689384      2.100727
  H      -8.025481     -2.976599      3.561364
  H      -7.064889     -3.285734      5.035261
  H      -6.242104     -3.089678      3.458611
  H      -4.295083     -5.412718      8.755809
  H      -2.605097     -4.681967      9.041303
  H      -3.912250     -6.136378      5.485542
  H      -3.263063     -7.628585      6.151289
  H      -4.668211     -6.882994      6.923349
  H      -0.764817     -5.357057      7.611844
  H      -1.009920     -6.725176      6.499223
  H       0.720300     -5.707322      5.103201
  H       0.812603     -4.202218      6.048083
  H       0.436177     -4.132280      4.304158
  H      -2.758585     -3.302856      6.122608
  H      -1.187874     -3.077311      6.946305
  H      -1.362962     -2.625780      5.224662
83
Coordinates from ORCA-job orca E -5365.972053554769
  N      -3.893364     -3.477973      2.428257
  C      -3.867454     -4.124837      1.105263
  C      -3.106089     -5.435584      1.217743
  N      -3.599287     -6.189904      2.415799
  C      -4.863172     -6.943206      2.124652
  C      -5.720830     -6.942701      3.387923
  N      -5.884636     -5.570644      3.872016
  Mo     -3.997070     -4.729125      3.950330
  N      -2.069224     -5.185062      4.426192
  C      -1.472750     -6.302949      3.685794
  C      -2.552331     -7.096160      2.958453
  H      -0.952812     -7.017553      4.352693
  H      -0.702291     -5.951904      2.967417
  H      -3.056498     -7.767705      3.666847
  H      -2.114868     -7.715272      2.149869
  H      -6.677729     -7.458021      3.180180
  H      -5.217173     -7.562591      4.154446
  H      -5.395745     -6.415946      1.322068
  H      -4.624338     -7.964178      1.772204
  H      -3.375628     -3.512494      0.328707
  H      -4.897768     -4.315619      0.741371
  H      -2.043873     -5.210253      1.388743
  H      -3.196040     -6.054056      0.306329
  C      -1.693331      0.503220      1.253561
  C      -1.569850     -0.401039      2.241474
  C      -0.832556     -0.069622      3.513064
  C      -2.111542     -1.808579      2.119785
  C      -3.635735     -2.022106      2.428510
  C      -4.511578     -1.297974      1.389706
  C      -3.977453     -1.455270      3.812311
  C      -7.362934     -6.036851      6.850495
  C      -8.245320     -5.414332      6.051796
  C      -9.242617     -4.425611      6.597796
  C      -8.307434     -5.681841      4.569539
  C      -7.213151     -4.974859      3.680113
  C      -7.709965     -5.086949      2.218864
  C      -7.134343     -3.487101      4.035480
  C      -3.262091     -5.319149      8.464399
  C      -2.830835     -5.892256      7.327485
  C      -3.761445     -6.699407      6.472501
  C      -1.426188     -5.738488      6.815791
  C      -1.273851     -4.757402      5.594749
  C       0.229139     -4.668123      5.262041
  C      -1.740505     -3.369378      6.038466
  H      -1.303321      1.520432      1.357580
  H      -2.185565      0.259547      0.307420
  H      -1.434387     -0.306179      4.405717
  H      -0.548138      0.992266      3.553236
  H       0.087244     -0.677139      3.585460
  H      -1.573240     -2.479424      2.809910
  H      -1.928772     -2.176203      1.096556
  H      -4.438017     -0.208936      1.524377
  H      -5.564909     -1.593319      1.520977
  H      -4.214789     -1.527380      0.354914
  H      -5.052755     -1.552267      4.017862
  H      -3.422102     -1.982801      4.601919
  H      -3.718562     -0.386937      3.861397
  H      -6.678189     -6.786147      6.450088
  H      -7.311414     -5.825599      7.923246
  H     -10.263746     -4.843528      6.536677
  H      -9.250548     -3.493906      6.007436
  H      -9.037498     -4.175921      7.649430
  H      -8.233076     -6.765806      4.381940
  H      -9.291660     -5.359118      4.190074
  H      -7.808259     -6.132428      1.887273
  H      -7.017956     -4.566023      1.537700
  H      -8.699862     -4.613842      2.124332
  H      -8.037529     -2.954024      3.699654
  H      -7.022591     -3.335115      5.120884
  H      -6.263141     -3.050206      3.528285
  H      -4.291196     -5.436784      8.815402
  H      -2.590884     -4.716974      9.086028
  H      -3.939829     -6.149039      5.517165
  H      -3.308769     -7.660627      6.175125
  H      -4.724852     -6.883817      6.962681
  H      -0.784281     -5.363417      7.630088
  H      -1.027046     -6.722982      6.510092
  H       0.688524     -5.657335      5.117123
  H       0.762854     -4.167535      6.085150
  H       0.379541     -4.074861      4.345304
  H      -2.836621     -3.349901      6.179444
  H      -1.277890     -3.089346      6.996991
  H      -1.468395     -2.618747      5.282618
83
Coordinates from ORCA-job orca E -5365.976029737876
  N      -3.884801     -3.474907      2.393954
  C      -3.843182     -4.129826      1.075765
  C      -3.092226     -5.443578      1.208906
  N      -3.601293     -6.185766      2.409834
  C      -4.867257     -6.932499      2.111288
  C      -5.730608     -6.927695      3.369142
  N      -5.877819     -5.557164      3.855069
  Mo     -4.000792     -4.712800      3.918225
  N      -2.090454     -5.184297      4.432730
  C      -1.488792     -6.302421      3.703916
  C      -2.564222     -7.093864      2.969989
  H      -0.978224     -7.015034      4.379921
  H      -0.709094     -5.958191      2.992254
  H      -3.085168     -7.754523      3.674851
  H      -2.126621     -7.718825      2.166816
  H      -6.693217     -7.427561      3.156406
  H      -5.240444     -7.553951      4.138746
  H      -5.384341     -6.399167      1.303357
  H      -4.622047     -7.950649      1.757120
  H      -3.336432     -3.525062      0.303633
  H      -4.868297     -4.315179      0.696488
  H      -2.029905     -5.231865      1.390675
  H      -3.178354     -6.075126      0.306256
  C      -1.657364      0.487330      1.217777
  C      -1.556828     -0.407352      2.214965
  C      -0.847903     -0.067136      3.497611
  C      -2.101900     -1.811340      2.096365
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  C      -3.984022     -1.448447      3.761855
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  C      -8.219805     -5.460486      6.054688
  C      -9.168315     -4.453653      6.648955
  C      -8.302664     -5.672281      4.566103
  C      -7.206080     -4.950558      3.695412
  C      -7.696309     -5.011440      2.232844
  C      -7.104035     -3.483181      4.106219
  C      -3.255128     -5.343288      8.503833
  C      -2.841688     -5.911097      7.356881
  C      -3.776925     -6.725080      6.512533
  C      -1.444894     -5.727437      6.829598
  C      -1.315455     -4.743486      5.610367
  C       0.181502     -4.615690      5.275461
  C      -1.825761     -3.370820      6.044255
  H      -1.266972      1.501933      1.322649
  H      -2.130296      0.233476      0.267185
  H      -1.470180     -0.288914      4.378283
  H      -0.555144      0.991055      3.534707
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  H      -4.191717     -1.550833      0.309631
  H      -5.059777     -1.540928      3.957353
  H      -3.441639     -1.969202      4.562345
  H      -3.724013     -0.381339      3.814416
  H      -6.710049     -6.906519      6.374775
  H      -7.272154     -5.976931      7.890947
  H     -10.207514     -4.818307      6.578349
  H      -9.139723     -3.498972      6.100514
  H      -8.947032     -4.256647      7.706966
  H      -8.254258     -6.747863      4.335730
  H      -9.284605     -5.320987      4.207933
  H      -7.797797     -6.045994      1.873772
  H      -6.994083     -4.480817      1.572297
  H      -8.681649     -4.529694      2.141567
  H      -8.011692     -2.928857      3.824132
  H      -6.951692     -3.381920      5.190173
  H      -6.250043     -3.026607      3.588178
  H      -4.279749     -5.469449      8.862867
  H      -2.580784     -4.736075      9.114104
  H      -3.952975     -6.180707      5.552111
  H      -3.321358     -7.695106      6.209861
  H      -4.747060     -6.905680      7.005916
  H      -0.800482     -5.339201      7.635209
  H      -1.027916     -6.702511      6.523097
  H       0.659582     -5.593493      5.124096
  H       0.710054     -4.108901      6.096866
  H       0.315795     -4.016148      4.362189
  H      -2.920039     -3.386393      6.188836
  H      -1.379030     -3.073347      7.003808
  H      -1.577513     -2.611970      5.289736
83
Coordinates from ORCA-job orca E -5365.979203131529
  N      -3.877655     -3.458423      2.365919
  C      -3.819498     -4.121587      1.053259
  C      -3.079485     -5.438615      1.204881
  N      -3.605331     -6.168178      2.405641
  C      -4.870070     -6.909975      2.097010
  C      -5.740612     -6.906761      3.349313
  N      -5.875913     -5.539535      3.841260
  Mo     -4.011364     -4.686338      3.891831
  N      -2.121739     -5.175453      4.448363
  C      -1.512356     -6.290221      3.727720
  C      -2.580367     -7.079253      2.981845
  H      -1.010184     -7.002821      4.410227
  H      -0.723733     -5.948580      3.024346
  H      -3.116131     -7.732706      3.682023
  H      -2.138529     -7.707628      2.184109
  H      -6.707216     -7.392898      3.126785
  H      -5.263327     -7.542198      4.119614
  H      -5.376027     -6.370524      1.286455
  H      -4.619451     -7.925408      1.739474
  H      -3.295864     -3.524917      0.286574
  H      -4.839103     -4.300904      0.657439
  H      -2.017377     -5.237364      1.397695
  H      -3.160978     -6.079841      0.308594
  C      -1.599433      0.458353      1.148257
  C      -1.523575     -0.416314      2.163659
  C      -0.833959     -0.058498      3.450856
  C      -2.081928     -1.815158      2.064860
  C      -3.610397     -1.999167      2.345513
  C      -4.462694     -1.297345      1.277008
  C      -3.975047     -1.407157      3.704435
  C      -7.340007     -6.278051      6.777210
  C      -8.193552     -5.530631      6.063866
  C      -9.103062     -4.525149      6.715458
  C      -8.297697     -5.678386      4.569289
  C      -7.206982     -4.930313      3.716603
  C      -7.698004     -4.943886      2.254862
  C      -7.095431     -3.480064      4.175903
  C      -3.258907     -5.379302      8.545945
  C      -2.863277     -5.934476      7.386910
  C      -3.800959     -6.749086      6.549513
  C      -1.475291     -5.724435      6.845504
  C      -1.366139     -4.729620      5.635674
  C       0.127487     -4.566407      5.303974
  C      -1.911433     -3.372261      6.071619
  H      -1.200731      1.469950      1.240212
  H      -2.060293      0.187681      0.197441
  H      -1.475086     -0.251056      4.324111
  H      -0.524536      0.994668      3.471671
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  H      -1.884005     -2.215712      1.059023
  H      -4.378277     -0.205655      1.364142
  H      -5.518933     -1.573288      1.409051
  H      -4.159485     -1.571247      0.257551
  H      -5.052729     -1.479783      3.890339
  H      -3.450457     -1.918630      4.521131
  H      -3.702073     -0.343152      3.745261
  H      -6.724251     -7.032154      6.291662
  H      -7.228905     -6.156185      7.857052
  H     -10.154024     -4.850135      6.637755
  H      -9.049039     -3.545881      6.216439
  H      -8.866455     -4.387783      7.778871
  H      -8.263918     -6.743344      4.293797
  H      -9.280653     -5.307123      4.235762
  H      -7.797405     -5.968173      1.868274
  H      -6.991146     -4.398231      1.613392
  H      -8.682750     -4.460385      2.171176
  H      -8.013877     -2.918147      3.950998
  H      -6.897318     -3.419768      5.254438
  H      -6.267208     -2.998988      3.639829
  H      -4.277658     -5.519329      8.915017
  H      -2.581859     -4.771341      9.149777
  H      -3.974627     -6.208706      5.588454
  H      -3.345809     -7.721490      6.246897
  H      -4.771438     -6.926195      7.044780
  H      -0.826853     -5.332068      7.644990
  H      -1.045975     -6.690727      6.529945
  H       0.621215     -5.533810      5.139433
  H       0.650462     -4.061736      6.129544
  H       0.249037     -3.954012      4.398491
  H      -3.004681     -3.417051      6.214501
  H      -1.479489     -3.067817      7.035520
  H      -1.678161     -2.603303      5.324464
83
Coordinates from ORCA-job orca E -5365.982112260023
  N      -3.867693     -3.452462      2.330279
  C      -3.790813     -4.127226      1.023960
  C      -3.062570     -5.448059      1.195414
  N      -3.606700     -6.162290      2.396610
  C      -4.872463     -6.897217      2.079757
  C      -5.750385     -6.894618      3.327437
  N      -5.870326     -5.529946      3.828880
  Mo     -4.018742     -4.669261      3.860931
  N      -2.152006     -5.177056      4.459362
  C      -1.534199     -6.290338      3.747389
  C      -2.595022     -7.077651      2.989758
  H      -1.039143     -7.002227      4.435872
  H      -0.737849     -5.951080      3.051225
  H      -3.143378     -7.724099      3.687039
  H      -2.147678     -7.710846      2.199244
  H      -6.721636     -7.364192      3.092649
  H      -5.287985     -7.543648      4.096002
  H      -5.370722     -6.351159      1.268680
  H      -4.622603     -7.911731      1.719024
  H      -3.250496     -3.540479      0.261570
  H      -4.804457     -4.302839      0.611652
  H      -2.000655     -5.254885      1.398022
  H      -3.139695     -6.097858      0.304863
  C      -1.552672      0.445523      1.110155
  C      -1.506745     -0.414588      2.139164
  C      -0.852623     -0.041954      3.440715
  C      -2.066131     -1.812959      2.045215
  C      -3.600726     -1.991602      2.295413
  C      -4.433525     -1.303243      1.203000
  C      -3.994479     -1.381189      3.636960
  C      -7.336275     -6.395396      6.745534
  C      -8.164568     -5.581485      6.076821
  C      -9.019549     -4.566078      6.782530
  C      -8.291073     -5.666624      4.578502
  C      -7.198317     -4.907933      3.740448
  C      -7.695298     -4.869712      2.281135
  C      -7.059789     -3.473878      4.242869
  C      -3.268673     -5.408779      8.579804
  C      -2.880676     -5.953527      7.413838
  C      -3.812471     -6.778807      6.585189
  C      -1.502069     -5.717100      6.859113
  C      -1.412931     -4.719364      5.651271
  C       0.078867     -4.524112      5.324405
  C      -1.989713     -3.371913      6.079446
  H      -1.153795      1.457273      1.198816
  H      -1.988891      0.160880      0.151835
  H      -1.520648     -0.216266      4.297674
  H      -0.534841      1.008724      3.455351
  H       0.032677     -0.675395      3.616041
  H      -1.567057     -2.463705      2.780810
  H      -1.846246     -2.227311      1.049751
  H      -4.344865     -0.210688      1.271196
  H      -5.492647     -1.572021      1.326433
  H      -4.118590     -1.596485      0.192693
  H      -5.076851     -1.446677      3.798506
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  H      -3.720034     -0.317489      3.669032
  H      -6.760843     -7.155648      6.219704
  H      -7.199550     -6.322969      7.826976
  H     -10.085261     -4.836958      6.700525
  H      -8.923350     -3.567484      6.331018
  H      -8.767625     -4.491107      7.848575
  H      -8.284960     -6.720745      4.262908
  H      -9.269721     -5.263520      4.270604
  H      -7.807081     -5.882002      1.866985
  H      -6.978512     -4.317296      1.657011
  H      -8.673891     -4.372337      2.209136
  H      -7.981198     -2.897906      4.073409
  H      -6.816799     -3.451062      5.313719
  H      -6.250552     -2.979177      3.688763
  H      -4.282177     -5.568527      8.956099
  H      -2.596057     -4.792593      9.178793
  H      -3.988053     -6.247839      5.623224
  H      -3.352136     -7.748615      6.293753
  H      -4.777994     -6.956474      7.082824
  H      -0.851876     -5.315008      7.651638
  H      -1.059164     -6.676578      6.540889
  H       0.588643     -5.482338      5.153998
  H       0.594018     -4.016084      6.152566
  H       0.189033     -3.905041      4.422157
  H      -3.083038     -3.439674      6.214882
  H      -1.573079     -3.054562      7.046072
  H      -1.764944     -2.600612      5.332977
83
Coordinates from ORCA-job orca E -5365.984827154301
  N      -3.863218     -3.436724      2.292505
  C      -3.769364     -4.124001      0.992750
  C      -3.052237     -5.448477      1.183848
  N      -3.612989     -6.147633      2.385113
  C      -4.879109     -6.877080      2.060211
  C      -5.762236     -6.879934      3.304560
  N      -5.870581     -5.519313      3.820924
  Mo     -4.035138     -4.643381      3.830823
  N      -2.192683     -5.167875      4.471430
  C      -1.562089     -6.278711      3.767108
  C      -2.613244     -7.066156      2.995177
  H      -1.072631     -6.989446      4.460717
  H      -0.758837     -5.937799      3.079659
  H      -3.171177     -7.708676      3.689220
  H      -2.156589     -7.703021      2.213290
  H      -6.736898     -7.335393      3.057056
  H      -5.311596     -7.544400      4.067445
  H      -5.375239     -6.324603      1.251671
  H      -4.632780     -7.891030      1.695307
  H      -3.211199     -3.548252      0.234889
  H      -4.777127     -4.295557      0.563995
  H      -1.990912     -5.259461      1.395019
  H      -3.124262     -6.104533      0.297481
  C      -1.471715      0.412839      1.060392
  C      -1.462200     -0.431026      2.103890
  C      -0.834617     -0.047949      3.416355
  C      -2.039002     -1.823226      2.018632
  C      -3.581016     -1.978397      2.241340
  C      -4.384728     -1.292559      1.124758
  C      -3.991456     -1.339860      3.565930
  C      -7.325452     -6.537257      6.710352
  C      -8.135264     -5.665419      6.093063
  C      -8.948010     -4.660825      6.860997
  C      -8.283958     -5.675378      4.593211
  C      -7.196646     -4.890849      3.775333
  C      -7.705155     -4.790525      2.321964
  C      -7.040981     -3.477841      4.334420
  C      -3.302222     -5.421700      8.607798
  C      -2.909269     -5.955337      7.439191
  C      -3.826240     -6.799921      6.616710
  C      -1.539866     -5.691530      6.874567
  C      -1.470150     -4.694203      5.665366
  C       0.020401     -4.466533      5.346319
  C      -2.079149     -3.355583      6.082034
  H      -1.060560      1.420806      1.141435
  H      -1.889793      0.118163      0.096377
  H      -1.527922     -0.195896      4.258644
  H      -0.497737      0.997135      3.421627
  H       0.034250     -0.694845      3.624123
  H      -1.564042     -2.469490      2.774140
  H      -1.804083     -2.255176      1.033834
  H      -4.274975     -0.200995      1.178184
  H      -5.450675     -1.539123      1.238064
  H      -4.062384     -1.607146      0.123000
  H      -5.078666     -1.381875      3.702506
  H      -3.516393     -1.835634      4.423188
  H      -3.698593     -0.280718      3.584864
  H      -6.779564     -7.290984      6.141978
  H      -7.171536     -6.522170      7.792212
  H     -10.022974     -4.892462      6.776143
  H      -8.821853     -3.642499      6.464124
  H      -8.682919     -4.653947      7.926766
  H      -8.296282     -6.714246      4.230054
  H      -9.261130     -5.245730      4.318126
  H      -7.825942     -5.786002      1.870094
  H      -6.984144     -4.220280      1.718393
  H      -8.680652     -4.284272      2.273398
  H      -7.967676     -2.896089      4.223944
  H      -6.757557     -3.501122      5.395868
  H      -6.252305     -2.959191      3.771843
  H      -4.310327     -5.607452      8.987925
  H      -2.641976     -4.791348      9.205503
  H      -4.006833     -6.281199      5.654264
  H      -3.354433     -7.762059      6.345070
  H      -4.784237     -6.983745      7.114885
  H      -0.892131     -5.276916      7.662259
  H      -1.081331     -6.644449      6.556884
  H       0.549037     -5.414814      5.174422
  H       0.522827     -3.951433      6.177903
  H       0.120155     -3.843485      4.445240
  H      -3.173250     -3.445461      6.205702
  H      -1.678795     -3.022408      7.050549
  H      -1.859950     -2.585134      5.332427
83
Coordinates from ORCA-job orca E -5365.987210856370
  N      -3.847943     -3.431810      2.247833
  C      -3.735329     -4.134016      0.955868
  C      -3.033782     -5.464049      1.168340
  N      -3.615458     -6.145624      2.369468
  C      -4.887429     -6.862382      2.038542
  C      -5.775498     -6.867902      3.280304
  N      -5.865396     -5.511682      3.815376
  Mo     -4.042928     -4.627338      3.797338
  N      -2.227001     -5.174790      4.479559
  C      -1.586600     -6.285956      3.782245
  C      -2.630989     -7.070577      2.997068
  H      -1.104893     -6.996848      4.481006
  H      -0.775960     -5.944573      3.104006
  H      -3.200028     -7.707446      3.687916
  H      -2.166420     -7.713451      2.225119
  H      -6.755814     -7.303286      3.019114
  H      -5.340595     -7.552069      4.035316
  H      -5.380545     -6.299907      1.234449
  H      -4.652929     -7.877382      1.668592
  H      -3.158604     -3.570800      0.202418
  H      -4.736823     -4.301136      0.510493
  H      -1.972830     -5.281657      1.388792
  H      -3.101964     -6.125616      0.285764
  C      -1.415982      0.403443      1.038264
  C      -1.446115     -0.421443      2.097006
  C      -0.871426     -0.013810      3.427175
  C      -2.016446     -1.817197      2.013634
  C      -3.566768     -1.974460      2.180892
  C      -4.329235     -1.306630      1.024608
  C      -4.032091     -1.312193      3.477113
  C      -7.320111     -6.634881      6.691137
  C      -8.105771     -5.714343      6.114237
  C      -8.877250     -4.714403      6.930524
  C      -8.271906     -5.661283      4.616163
  C      -7.183579     -4.866739      3.811921
  C      -7.705580     -4.710996      2.367280
  C      -6.996273     -3.474495      4.419132
  C      -3.324142     -5.442265      8.630618
  C      -2.925030     -5.966473      7.460412
  C      -3.828771     -6.830197      6.643135
  C      -1.565145     -5.683241      6.884813
  C      -1.514137     -4.688009      5.673466
  C      -0.025869     -4.436198      5.356882
  C      -2.146393     -3.357574      6.084765
  H      -1.009970      1.414456      1.115432
  H      -1.795306      0.090415      0.063275
  H      -1.599067     -0.145320      4.243215
  H      -0.533255      1.031285      3.425472
  H      -0.011887     -0.657547      3.680668
  H      -1.569119     -2.449041      2.798140
  H      -1.742359     -2.264222      1.045441
  H      -4.215280     -0.214688      1.065791
  H      -5.399714     -1.547406      1.106064
  H      -3.975292     -1.638395      0.038789
  H      -5.125709     -1.351670      3.563544
  H      -3.596554     -1.794607      4.363060
  H      -3.739171     -0.252825      3.486974
  H      -6.802030     -7.386738      6.092771
  H      -7.157754     -6.664179      7.771860
  H      -9.960262     -4.906672      6.844216
  H      -8.717929     -3.684728      6.576547
  H      -8.604392     -4.763640      7.993608
  H      -8.309473     -6.685740      4.215057
  H      -9.243635     -5.201174      4.371900
  H      -7.846716     -5.690459      1.886064
  H      -6.977528     -4.134676      1.776969
  H      -8.673088     -4.187364      2.344198
  H      -7.921253     -2.882283      4.362928
  H      -6.677095     -3.541977      5.468931
  H      -6.220729     -2.939338      3.851241
  H      -4.326186     -5.649724      9.016010
  H      -2.674738     -4.798540      9.226758
  H      -4.016150     -6.323374      5.679355
  H      -3.346214     -7.786068      6.392407
  H      -4.780037     -7.019604      7.143151
  H      -0.917874     -5.259048      7.667973
  H      -1.096208     -6.631511      6.566712
  H       0.517051     -5.376436      5.181723
  H       0.467423     -3.916336      6.191133
  H       0.063616     -3.809603      4.456674
  H      -3.241412     -3.463995      6.198350
  H      -1.757680     -3.014301      7.054861
  H      -1.929427     -2.587468      5.333415
83
Coordinates from ORCA-job orca E -5365.989314432165
  N      -3.840001     -3.421168      2.205691
  C      -3.712014     -4.136474      0.921267
  C      -3.022642     -5.470309      1.154521
  N      -3.620374     -6.136724      2.355890
  C      -4.896498     -6.842921      2.018744
  C      -5.789702     -6.854678      3.257150
  N      -5.864323     -5.505306      3.814140
  Mo     -4.057462     -4.606440      3.766617
  N      -2.269257     -5.170607      4.491315
  C      -1.613161     -6.278620      3.800878
  C      -2.647606     -7.063937      3.001523
  H      -1.136976     -6.988093      4.504639
  H      -0.796447     -5.931608      3.133354
  H      -3.226155     -7.697647      3.687557
  H      -2.172333     -7.710794      2.239783
  H      -6.774669     -7.270447      2.981616
  H      -5.370581     -7.558612      4.002962
  H      -5.386748     -6.270038      1.219970
  H      -4.671524     -7.857601      1.642012
  H      -3.117059     -3.585085      0.173186
  H      -4.707144     -4.298778      0.459796
  H      -1.962643     -5.292122      1.383390
  H      -3.086221     -6.137690      0.275984
  C      -1.347269      0.377629      0.999938
  C      -1.405231     -0.435673      2.066783
  C      -0.850311     -0.019734      3.403056
  C      -1.988701     -1.826626      1.986833
  C      -3.543988     -1.968178      2.128703
  C      -4.277709     -1.299798      0.953999
  C      -4.025997     -1.288485      3.410841
  C      -7.312424     -6.749097      6.657814
  C      -8.080164     -5.786204      6.127826
  C      -8.819067     -4.804654      6.996505
  C      -8.263842     -5.663436      4.635594
  C      -7.176187     -4.849486      3.853717
  C      -7.707245     -4.630333      2.420641
  C      -6.964234     -3.486248      4.518721
  C      -3.365262     -5.451344      8.649632
  C      -2.949128     -5.964368      7.480786
  C      -3.829583     -6.857862      6.666406
  C      -1.598498     -5.649872      6.899929
  C      -1.571702     -4.659972      5.683157
  C      -0.089394     -4.370466      5.369657
  C      -2.244003     -3.344734      6.082351
  H      -0.931942      1.385472      1.072495
  H      -1.711783      0.058749      0.020909
  H      -1.595282     -0.131965      4.206202
  H      -0.498498      1.020986      3.394680
  H      -0.003461     -0.671084      3.679356
  H      -1.560589     -2.455573      2.784441
  H      -1.702935     -2.284764      1.026988
  H      -4.145454     -0.209626      0.990291
  H      -5.353341     -1.522433      1.021005
  H      -3.914642     -1.644251     -0.024097
  H      -5.122435     -1.312742      3.471159
  H      -3.617118     -1.772504      4.309623
  H      -3.718023     -0.233273      3.417203
  H      -6.815528     -7.488273      6.026203
  H      -7.144324     -6.826775      7.735543
  H      -9.907357     -4.965084      6.909052
  H      -8.634263     -3.763890      6.690361
  H      -8.540656     -4.912183      8.053926
  H      -8.320688     -6.668530      4.189790
  H      -9.232059     -5.179027      4.425896
  H      -7.863734     -5.589244      1.903582
  H      -6.973967     -4.041492      1.848829
  H      -8.668234     -4.093809      2.425772
  H      -7.887265     -2.888394      4.516132
  H      -6.617381     -3.606145      5.555314
  H      -6.199939     -2.925694      3.958330
  H      -4.360572     -5.687862      9.036328
  H      -2.735572     -4.787329      9.245582
  H      -4.026550     -6.363982      5.699685
  H      -3.325228     -7.806043      6.435475
  H      -4.776792     -7.062440      7.167085
  H      -0.959646     -5.207785      7.680464
  H      -1.108817     -6.589025      6.585795
  H       0.477849     -5.296788      5.196268
  H       0.387388     -3.837366      6.205238
  H      -0.014727     -3.743429      4.468209
  H      -3.337390     -3.482163      6.184533
  H      -1.873729     -2.983845      7.053256
  H      -2.040017     -2.573975      5.327004
83
Coordinates from ORCA-job orca E -5365.991110465679
  N      -3.821114     -3.419034      2.162745
  C      -3.674641     -4.147782      0.887662
  C      -3.002632     -5.486913      1.143639
  N      -3.621695     -6.135695      2.343521
  C      -4.904788     -6.824394      1.999116
  C      -5.806167     -6.838237      3.232140
  N      -5.859039     -5.497590      3.812894
  Mo     -4.062847     -4.591817      3.736522
  N      -2.304814     -5.179480      4.502459
  C      -1.638779     -6.286631      3.819409
  C      -2.666261     -7.068559      3.007663
  H      -1.171362     -6.996514      4.528521
  H      -0.814962     -5.937319      3.162332
  H      -3.258361     -7.696133      3.687537
  H      -2.183165     -7.721545      2.256352
  H      -6.797431     -7.226919      2.939723
  H      -5.410199     -7.564632      3.968925
  H      -5.385808     -6.238292      1.204494
  H      -4.692674     -7.839053      1.614838
  H      -3.059203     -3.609019      0.146747
  H      -4.661668     -4.303795      0.407233
  H      -1.943749     -5.317698      1.384060
  H      -3.062065     -6.160963      0.269817
  C      -1.303162      0.371471      0.978886
  C      -1.391555     -0.426808      2.054897
  C      -0.879114      0.010432      3.401058
  C      -1.968176     -1.820575      1.976894
  C      -3.526568     -1.967479      2.074279
  C      -4.224531     -1.315583      0.868834
  C      -4.052292     -1.272563      3.330877
  C      -7.305071     -6.825449      6.633978
  C      -8.054224     -5.828062      6.143640
  C      -8.763439     -4.862213      7.054829
  C      -8.251776     -5.648038      4.659173
  C      -7.161680     -4.825198      3.893149
  C      -7.703383     -4.549577      2.474542
  C      -6.915829     -3.490750      4.602387
  C      -3.388246     -5.469946      8.665784
  C      -2.963707     -5.975373      7.496800
  C      -3.827130     -6.892974      6.686658
  C      -1.621551     -5.637096      6.910603
  C      -1.616006     -4.650475      5.691241
  C      -0.139985     -4.334532      5.375761
  C      -2.316469     -3.348915      6.085675
  H      -0.893206      1.381598      1.049076
  H      -1.635838      0.038334     -0.006585
  H      -1.649250     -0.089388      4.181552
  H      -0.527621      1.051122      3.386701
  H      -0.040858     -0.635209      3.714082
  H      -1.560910     -2.436717      2.794917
  H      -1.653353     -2.290459      1.031900
  H      -4.090041     -0.225380      0.894356
  H      -5.302297     -1.534569      0.907703
  H      -3.834031     -1.674216     -0.093376
  H      -5.150248     -1.301242      3.351328
  H      -3.674970     -1.746663      4.248253
  H      -3.747196     -0.216532      3.335426
  H      -6.825201     -7.552899      5.976451
  H      -7.134795     -6.941145      7.707655
  H      -9.855825     -4.990638      6.966380
  H      -8.552219     -3.815374      6.790012
  H      -8.483700     -5.019705      8.105483
  H      -8.329558     -6.635042      4.177596
  H      -9.214615     -5.141231      4.479945
  H      -7.879292     -5.488917      1.928203
  H      -6.965596     -3.954360      1.915689
  H      -8.655702     -3.998266      2.506852
  H      -7.831260     -2.883217      4.650035
  H      -6.542190     -3.656904      5.623224
  H      -6.160228     -2.912677      4.045690
  H      -4.375973     -5.726346      9.058035
  H      -2.770978     -4.790537      9.257922
  H      -4.032887     -6.409917      5.716750
  H      -3.304851     -7.836976      6.469470
  H      -4.772457     -7.110270      7.189907
  H      -0.987369     -5.183231      7.688452
  H      -1.117833     -6.568536      6.596626
  H       0.443083     -5.250609      5.200825
  H       0.327603     -3.793961      6.211708
  H      -0.077048     -3.706282      4.474469
  H      -3.407590     -3.509820      6.178661
  H      -1.960279     -2.979178      7.058342
  H      -2.122283     -2.575147      5.330773
83
Coordinates from ORCA-job orca E -5365.992629587119
  N      -3.801015     -3.416801      2.124466
  C      -3.633732     -4.157381      0.859265
  C      -2.981278     -5.502033      1.138248
  N      -3.623119     -6.133514      2.334714
  C      -4.912395     -6.802580      1.979890
  C      -5.825527     -6.819346      3.204082
  N      -5.856144     -5.490132      3.810770
  Mo     -4.068658     -4.576498      3.711171
  N      -2.342379     -5.189162      4.516651
  C      -1.667704     -6.295638      3.841774
  C      -2.687720     -7.073000      3.017395
  H      -1.209780     -7.006299      4.556174
  H      -0.836675     -5.944615      3.195061
  H      -3.295231     -7.694261      3.689028
  H      -2.196821     -7.732028      2.276551
  H      -6.822082     -7.176969      2.890132
  H      -5.458111     -7.570111      3.931210
  H      -5.380011     -6.201438      1.188633
  H      -4.712352     -7.816263      1.586330
  H      -2.994859     -3.631548      0.128727
  H      -4.610356     -4.305583      0.355674
  H      -1.923982     -5.343414      1.392115
  H      -3.035881     -6.182815      0.269189
  C      -1.265508      0.369864      0.958163
  C      -1.377559     -0.417143      2.040149
  C      -0.899067      0.037097      3.392889
  C      -1.947976     -1.813289      1.964288
  C      -3.507417     -1.966209      2.026886
  C      -4.175482     -1.326744      0.797693
  C      -4.067797     -1.261902      3.262630
  C      -7.296074     -6.892854      6.610812
  C      -8.029631     -5.867307      6.157205
  C      -8.711786     -4.917209      7.105456
  C      -8.240888     -5.637619      4.681706
  C      -7.151164     -4.804777      3.928126
  C      -7.707225     -4.482002      2.524988
  C      -6.875273     -3.498187      4.675740
  C      -3.408791     -5.484662      8.680191
  C      -2.978136     -5.985442      7.511439
  C      -3.823295     -6.929147      6.707832
  C      -1.643893     -5.622067      6.921534
  C      -1.658872     -4.639725      5.698979
  C      -0.189701     -4.300740      5.377557
  C      -2.382857     -3.349506      6.086999
  H      -0.860401      1.381905      1.027278
  H      -1.572599      0.026068     -0.031760
  H      -1.688540     -0.053271      4.154747
  H      -0.547963      1.077764      3.374061
  H      -0.068514     -0.603324      3.735262
  H      -1.556411     -2.418616      2.797562
  H      -1.611249     -2.292546      1.031651
  H      -4.038694     -0.236693      0.814045
  H      -5.254393     -1.542174      0.813088
  H      -3.762671     -1.696898     -0.150525
  H      -5.165641     -1.297377      3.251221
  H      -3.714960     -1.730106      4.192889
  H      -3.766980     -0.204771      3.269408
  H      -6.830484     -7.607743      5.930211
  H      -7.124526     -7.041439      7.679916
  H      -9.807258     -5.015466      7.017953
  H      -8.475654     -3.867288      6.876770
  H      -8.431607     -5.118392      8.148377
  H      -8.335946     -6.607337      4.169488
  H      -9.199687     -5.114233      4.531770
  H      -7.898974     -5.404293      1.955361
  H      -6.970882     -3.879764      1.972381
  H      -8.653406     -3.922142      2.583627
  H      -7.782702     -2.884306      4.770839
  H      -6.476581     -3.706318      5.679061
  H      -6.129943     -2.902535      4.121798
  H      -4.388015     -5.758907      9.080427
  H      -2.802809     -4.789063      9.265524
  H      -4.040121     -6.458851      5.733806
  H      -3.280602     -7.867024      6.501861
  H      -4.765517     -7.162348      7.214784
  H      -1.015157     -5.156083      7.696720
  H      -1.125663     -6.545292      6.607938
  H       0.406715     -5.207928      5.202045
  H       0.271933     -3.752192      6.211608
  H      -0.138066     -3.673077      4.475275
  H      -3.470903     -3.530410      6.173544
  H      -2.037616     -2.970447      7.059774
  H      -2.199491     -2.574312      5.330483
83
Coordinates from ORCA-job orca E -5365.993892680371
  N      -3.771928     -3.419199      2.090925
  C      -3.582437     -4.170894      0.836466
  C      -2.953749     -5.521829      1.139055
  N      -3.622799     -6.134298      2.329667
  C      -4.919697     -6.777786      1.960570
  C      -5.847465     -6.793728      3.173883
  N      -5.851924     -5.477707      3.808206
  Mo     -4.068412     -4.563630      3.689875
  N      -2.376383     -5.205295      4.534373
  C      -1.698520     -6.315203      3.869620
  C      -2.713431     -7.084063      3.031827
  H      -1.254144     -7.028138      4.590156
  H      -0.857947     -5.967995      3.233419
  H      -3.340552     -7.695520      3.694015
  H      -2.217316     -7.751720      2.302325
  H      -6.848698     -7.114845      2.836086
  H      -5.513580     -7.570458      3.889976
  H      -5.368665     -6.159371      1.171766
  H      -4.734304     -7.790536      1.557026
  H      -2.918101     -3.658797      0.118672
  H      -4.546544     -4.310611      0.306913
  H      -1.898419     -5.376774      1.408545
  H      -3.003751     -6.209391      0.274949
  C      -1.249673      0.380544      0.930561
  C      -1.375905     -0.395482      2.018779
  C      -0.930189      0.079739      3.375426
  C      -1.930065     -1.798132      1.948638
  C      -3.488228     -1.967675      1.983241
  C      -4.135959     -1.346571      0.733637
  C      -4.081522     -1.258536      3.200538
  C      -7.284903     -6.954855      6.577939
  C      -8.004983     -5.903453      6.163747
  C      -8.662728     -4.973739      7.148797
  C      -8.228692     -5.622825      4.698781
  C      -7.137467     -4.778125      3.961390
  C      -7.705067     -4.405271      2.575438
  C      -6.835100     -3.500538      4.748594
  C      -3.432341     -5.494150      8.692026
  C      -2.995424     -5.995866      7.526095
  C      -3.822568     -6.963913      6.731604
  C      -1.665949     -5.613699      6.935788
  C      -1.693897     -4.637657      5.709054
  C      -0.229286     -4.285271      5.381651
  C      -2.431274     -3.353112      6.090063
  H      -0.856541      1.397370      0.996830
  H      -1.532211      0.023263     -0.061746
  H      -1.735047     -0.007477      4.121309
  H      -0.587411      1.122982      3.350843
  H      -0.102068     -0.548945      3.744018
  H      -1.547178     -2.389098      2.795836
  H      -1.571821     -2.285009      1.028084
  H      -4.004777     -0.255817      0.738256
  H      -5.213957     -1.566651      0.730481
  H      -3.702438     -1.726618     -0.201293
  H      -5.178268     -1.311403      3.166333
  H      -3.741779     -1.716814      4.140925
  H      -3.794944     -0.197578      3.207207
  H      -6.832778     -7.653501      5.872193
  H      -7.111866     -7.139186      7.641160
  H      -9.760397     -5.044055      7.063515
  H      -8.403923     -3.922009      6.956317
  H      -8.382400     -5.217742      8.182388
  H      -8.340170     -6.573418      4.155239
  H      -9.183212     -5.084525      4.578030
  H      -7.911828     -5.308207      1.981038
  H      -6.970034     -3.794251      2.030981
  H      -8.644938     -3.838522      2.660923
  H      -7.734106     -2.882004      4.884211
  H      -6.419402     -3.749363      5.735207
  H      -6.096753     -2.887546      4.202774
  H      -4.405383     -5.781312      9.098180
  H      -2.836817     -4.783376      9.269789
  H      -4.049378     -6.509052      5.752893
  H      -3.261139     -7.894712      6.537164
  H      -4.760617     -7.211197      7.242303
  H      -1.043047     -5.137097      7.709073
  H      -1.136057     -6.531017      6.625004
  H       0.374598     -5.187517      5.206863
  H       0.230212     -3.730839      6.212982
  H      -0.184479     -3.659369      4.477920
  H      -3.517216     -3.544848      6.172077
  H      -2.092560     -2.966931      7.062126
  H      -2.254065     -2.578460      5.331246
83
Coordinates from ORCA-job orca E -5365.994955491446
  N      -3.740203     -3.424892      2.064524
  C      -3.531201     -4.184782      0.819630
  C      -2.924429     -5.541211      1.141987
  N      -3.618678     -6.136679      2.326174
  C      -4.922990     -6.754317      1.941658
  C      -5.865932     -6.767900      3.143405
  N      -5.843479     -5.466251      3.806136
  Mo     -4.062122     -4.555036      3.672836
  N      -2.404132     -5.224548      4.554234
  C      -1.725419     -6.339184      3.899171
  C      -2.736141     -7.097609      3.046902
  H      -1.296225     -7.055493      4.625485
  H      -0.874360     -5.998392      3.273615
  H      -3.383972     -7.697911      3.699121
  H      -2.236504     -7.774466      2.328409
  H      -6.870147     -7.051406      2.781792
  H      -5.565541     -7.569604      3.846813
  H      -5.352141     -6.119691      1.154569
  H      -4.751627     -7.765871      1.528537
  H      -2.844515     -3.683957      0.114520
  H      -4.483603     -4.316986      0.266792
  H      -1.871018     -5.409328      1.425550
  H      -2.970905     -6.234445      0.282100
  C      -1.251434      0.395719      0.894946
  C      -1.385229     -0.367688      1.991211
  C      -0.968256      0.131889      3.348399
  C      -1.918307     -1.778851      1.931791
  C      -3.473712     -1.970823      1.945384
  C      -4.109984     -1.373136      0.678574
  C      -4.096003     -1.258610      3.146232
  C      -7.292312     -7.009464      6.545388
  C      -7.992930     -5.931893      6.166567
  C      -8.629899     -5.021398      7.182590
  C      -8.217128     -5.600736      4.711845
  C      -7.116543     -4.750149      3.994459
  C      -7.687024     -4.320649      2.626581
  C      -6.784444     -3.504817      4.821397
  C      -3.457380     -5.506785      8.700067
  C      -3.009830     -6.011838      7.539550
  C      -3.814563     -7.005799      6.754234
  C      -1.683739     -5.610059      6.952755
  C      -1.721206     -4.641283      5.721309
  C      -0.260335     -4.278785      5.388243
  C      -2.469110     -3.360609      6.095212
  H      -0.873256      1.418637      0.954695
  H      -1.512116      0.021789     -0.097256
  H      -1.784537      0.045866      4.082018
  H      -0.637176      1.178687      3.314981
  H      -0.139493     -0.481878      3.739984
  H      -1.539336     -2.352760      2.792380
  H      -1.539830     -2.273206      1.023359
  H      -3.989675     -0.281163      0.668389
  H      -5.185754     -1.603673      0.662768
  H      -3.658799     -1.762654     -0.244193
  H      -5.191203     -1.334349      3.098038
  H      -3.760167     -1.702406      4.095518
  H      -3.829312     -0.192442      3.147802
  H      -6.852940     -7.692916      5.817044
  H      -7.122811     -7.229688      7.602295
  H      -9.728865     -5.060639      7.094273
  H      -8.344382     -3.970481      7.026528
  H      -8.357115     -5.307172      8.207473
  H      -8.347061     -6.531030      4.138274
  H      -9.163588     -5.043767      4.614492
  H      -7.912624     -5.199853      2.004308
  H      -6.945684     -3.704382      2.096074
  H      -8.616668     -3.741756      2.737743
  H      -7.671843     -2.877145      4.988104
  H      -6.362092     -3.793584      5.793950
  H      -6.044355     -2.881561      4.288593
  H      -4.425815     -5.806903      9.108059
  H      -2.875680     -4.779304      9.271007
  H      -4.052409     -6.568272      5.770876
  H      -3.231734     -7.925470      6.570730
  H      -4.746297     -7.270067      7.267788
  H      -1.070181     -5.121329      7.725778
  H      -1.139706     -6.521067      6.647739
  H       0.349142     -5.177514      5.214318
  H       0.198483     -3.719210      6.216599
  H      -0.221343     -3.654851      4.482884
  H      -3.553355     -3.560419      6.175810
  H      -2.134092     -2.967319      7.065666
  H      -2.297859     -2.587249      5.333196
83
Coordinates from ORCA-job orca E -5365.995790386786
  N      -3.707149     -3.430852      2.039660
  C      -3.476995     -4.199730      0.805294
  C      -2.894758     -5.561842      1.149234
  N      -3.617592     -6.138282      2.324978
  C      -4.928480     -6.729787      1.922680
  C      -5.888258     -6.736860      3.111582
  N      -5.837722     -5.449856      3.800175
  Mo     -4.057562     -4.544229      3.655807
  N      -2.435573     -5.241515      4.575547
  C      -1.759679     -6.365254      3.934019
  C      -2.766921     -7.111415      3.067068
  H      -1.350237     -7.084895      4.668362
  H      -0.895737     -6.036667      3.319845
  H      -3.439376     -7.695652      3.708700
  H      -2.265482     -7.800984      2.362191
  H      -6.893975     -6.982300      2.727119
  H      -5.621931     -7.561031      3.802703
  H      -5.335607     -6.082262      1.134384
  H      -4.770467     -7.741083      1.503477
  H      -2.766491     -3.710927      0.115142
  H      -4.416028     -4.323576      0.227744
  H      -1.844405     -5.443678      1.449899
  H      -2.936293     -6.261434      0.294156
  C      -1.252414      0.408967      0.857750
  C      -1.394759     -0.340921      1.962232
  C      -1.006116      0.182726      3.318856
  C      -1.907336     -1.759955      1.914314
  C      -3.459486     -1.974090      1.905961
  C      -4.085049     -1.402346      0.622147
  C      -4.109298     -1.256907      3.088446
  C      -7.278838     -7.072677      6.489405
  C      -7.965081     -5.969220      6.161504
  C      -8.574220     -5.089026      7.220012
  C      -8.202768     -5.577829      4.723473
  C      -7.095703     -4.719055      4.027862
  C      -7.670323     -4.225136      2.683983
  C      -6.731006     -3.512076      4.897488
  C      -3.498520     -5.506304      8.703359
  C      -3.035481     -6.018953      7.552415
  C      -3.815648     -7.040950      6.779683
  C      -1.710135     -5.602123      6.972165
  C      -1.751427     -4.643191      5.734137
  C      -0.292933     -4.277076      5.395763
  C      -2.505660     -3.363059      6.098262
  H      -0.888427      1.437363      0.910046
  H      -1.491463      0.017891     -0.133247
  H      -1.833248      0.098326      4.040445
  H      -0.685791      1.232477      3.276061
  H      -0.177626     -0.416623      3.732532
  H      -1.534220     -2.316289      2.789092
  H      -1.507038     -2.261925      1.019546
  H      -3.976271     -0.309472      0.594989
  H      -5.158056     -1.644463      0.595002
  H      -3.616916     -1.802216     -0.287648
  H      -5.202341     -1.356580      3.030098
  H      -3.774569     -1.681281      4.047216
  H      -3.863703     -0.185730      3.078906
  H      -6.858854     -7.733256      5.729170
  H      -7.103819     -7.338358      7.534895
  H      -9.674335     -5.098532      7.139282
  H      -8.265140     -4.039215      7.106455
  H      -8.300570     -5.423761      8.229683
  H      -8.355395     -6.481946      4.114750
  H      -9.141304     -5.002844      4.659933
  H      -7.920610     -5.074191      2.030055
  H      -6.920526     -3.605309      2.169771
  H      -8.586267     -3.631718      2.827416
  H      -7.604736     -2.874002      5.094458
  H      -6.305096     -3.842791      5.854693
  H      -5.985586     -2.881326      4.379339
  H      -4.463940     -5.819072      9.109562
  H      -2.933629     -4.760970      9.267705
  H      -4.063887     -6.625034      5.790279
  H      -3.211555     -7.948770      6.610579
  H      -4.741008     -7.320438      7.296215
  H      -1.108497     -5.100394      7.745969
  H      -1.152023     -6.508071      6.677446
  H       0.318734     -5.174865      5.224626
  H       0.167049     -3.712391      6.220027
  H      -0.257683     -3.657265      4.487510
  H      -3.588582     -3.567292      6.180389
  H      -2.171522     -2.961234      7.065498
  H      -2.338813     -2.593347      5.331059
83
Coordinates from ORCA-job orca E -5365.996405583043
  N      -3.677323     -3.437422      2.024258
  C      -3.425643     -4.208018      0.795831
  C      -2.862010     -5.574582      1.153962
  N      -3.608308     -6.139714      2.320240
  C      -4.923299     -6.710270      1.899594
  C      -5.900835     -6.716726      3.073472
  N      -5.828792     -5.445420      3.788648
  Mo     -4.048127     -4.540642      3.643296
  N      -2.456674     -5.259420      4.595141
  C      -1.782100     -6.389160      3.962194
  C      -2.784401     -7.123835      3.079642
  H      -1.389962     -7.112805      4.702056
  H      -0.907157     -6.069631      3.359056
  H      -3.478626     -7.695432      3.709312
  H      -2.280374     -7.822674      2.385856
  H      -6.904943     -6.927340      2.664475
  H      -5.666922     -7.562248      3.750625
  H      -5.311371     -6.050994      1.111157
  H      -4.773712     -7.719849      1.473026
  H      -2.694530     -3.724544      0.123109
  H      -4.351007     -4.323891      0.194796
  H      -1.815204     -5.466616      1.470990
  H      -2.896768     -6.276844      0.300642
  C      -1.273776      0.431366      0.829766
  C      -1.411523     -0.312867      1.939023
  C      -1.036521      0.225485      3.293899
  C      -1.903371     -1.739568      1.898334
  C      -3.451924     -1.976719      1.882734
  C      -4.080323     -1.422884      0.592934
  C      -4.115658     -1.263480      3.059462
  C      -7.313359     -7.103226      6.481642
  C      -7.969324     -5.976868      6.170556
  C      -8.562487     -5.101081      7.241501
  C      -8.190722     -5.555763      4.738627
  C      -7.074991     -4.703213      4.048013
  C      -7.661208     -4.174254      2.722650
  C      -6.674609     -3.517693      4.931684
  C      -3.514955     -5.516653      8.703381
  C      -3.039723     -6.038671      7.560875
  C      -3.793130     -7.091124      6.799478
  C      -1.718054     -5.601850      6.986946
  C      -1.769264     -4.649891      5.745623
  C      -0.315791     -4.275917      5.396793
  C      -2.532410     -3.374176      6.108450
  H      -0.924368      1.465219      0.877237
  H      -1.502412      0.029705     -0.159688
  H      -1.866172      0.136866      4.012451
  H      -0.728053      1.278662      3.245210
  H      -0.203258     -0.361665      3.715779
  H      -1.527370     -2.284290      2.779520
  H      -1.489548     -2.242153      1.009847
  H      -3.983752     -0.328967      0.555492
  H      -5.150695     -1.677243      0.564459
  H      -3.604933     -1.826187     -0.311770
  H      -5.206568     -1.388560      3.006298
  H      -3.768433     -1.671772      4.021221
  H      -3.893172     -0.187120      3.039983
  H      -6.906649     -7.760421      5.711135
  H      -7.153653     -7.393526      7.522181
  H      -9.661479     -5.072608      7.149299
  H      -8.218349     -4.059268      7.155052
  H      -8.310659     -5.466111      8.246533
  H      -8.358306     -6.447743      4.115956
  H      -9.119494     -4.963941      4.683700
  H      -7.939779     -5.005049      2.055975
  H      -6.907169     -3.561031      2.207036
  H      -8.562711     -3.565504      2.892844
  H      -7.533675     -2.866241      5.150151
  H      -6.238413     -3.868482      5.876826
  H      -5.927446     -2.891261      4.408297
  H      -4.474177     -5.839376      9.114092
  H      -2.964183     -4.752317      9.256368
  H      -4.057456     -6.698252      5.803504
  H      -3.163429     -7.982491      6.640713
  H      -4.708575     -7.391662      7.320966
  H      -1.130776     -5.086273      7.762793
  H      -1.141618     -6.499201      6.700649
  H       0.299475     -5.170671      5.221604
  H       0.147929     -3.708103      6.217088
  H      -0.290954     -3.656594      4.487648
  H      -3.612637     -3.587514      6.201241
  H      -2.193022     -2.964583      7.070830
  H      -2.379028     -2.605375      5.336511
83
Coordinates from ORCA-job orca E -5365.996905603924
  N      -3.640449     -3.442752      2.009735
  C      -3.360382     -4.220616      0.791643
  C      -2.829245     -5.594634      1.171880
  N      -3.612938     -6.140927      2.321572
  C      -4.931907     -6.682549      1.875987
  C      -5.931179     -6.679958      3.032856
  N      -5.832687     -5.424856      3.771190
  Mo     -4.047827     -4.531043      3.629511
  N      -2.491637     -5.277570      4.616272
  C      -1.829474     -6.424319      4.001121
  C      -2.830081     -7.141208      3.102871
  H      -1.465949     -7.151956      4.751525
  H      -0.938186     -6.126919      3.410983
  H      -3.553590     -7.690551      3.719022
  H      -2.328064     -7.856442      2.424683
  H      -6.932867     -6.849555      2.599322
  H      -5.737791     -7.546286      3.696826
  H      -5.294132     -6.011981      1.084685
  H      -4.794703     -7.692030      1.445118
  H      -2.599851     -3.748764      0.143496
  H      -4.265993     -4.323525      0.159307
  H      -1.789554     -5.501583      1.515916
  H      -2.853301     -6.301304      0.321843
  C      -1.282443      0.450555      0.805311
  C      -1.424172     -0.282552      1.921357
  C      -1.076658      0.277509      3.274633
  C      -1.891980     -1.717382      1.890614
  C      -3.436106     -1.979629      1.853284
  C      -4.053979     -1.453139      0.547781
  C      -4.125967     -1.261764      3.011151
  C      -7.277795     -7.162167      6.417242
  C      -7.918024     -6.012790      6.161825
  C      -8.458679     -5.159670      7.277340
  C      -8.175024     -5.541435      4.751620
  C      -7.066231     -4.677729      4.068314
  C      -7.670163     -4.104672      2.769121
  C      -6.639302     -3.521543      4.977740
  C      -3.566869     -5.498265      8.698404
  C      -3.070717     -6.035586      7.572415
  C      -3.800193     -7.115835      6.829037
  C      -1.746638     -5.593693      7.006430
  C      -1.796220     -4.655690      5.755209
  C      -0.343771     -4.290492      5.395233
  C      -2.554899     -3.374201      6.107543
  H      -0.950393      1.490210      0.845583
  H      -1.490714      0.033292     -0.181959
  H      -1.914802      0.185667      3.982697
  H      -0.782485      1.334196      3.217438
  H      -0.241247     -0.292755      3.714670
  H      -1.521998     -2.244744      2.784744
  H      -1.454096     -2.223494      1.015913
  H      -3.969620     -0.358992      0.493723
  H      -5.120751     -1.720644      0.509355
  H      -3.562232     -1.865621     -0.343847
  H      -5.213061     -1.414224      2.954373
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  H      -3.928212     -0.181067      2.972353
  H      -6.908368     -7.801649      5.613875
  H      -7.097761     -7.492436      7.442525
  H      -9.557860     -5.093920      7.213444
  H      -8.083680     -4.126387      7.220453
  H      -8.194449     -5.568648      8.261954
  H      -8.365585     -6.409479      4.102251
  H      -9.099931     -4.941231      4.739135
  H      -7.971740     -4.911307      2.082816
  H      -6.918632     -3.486359      2.256786
  H      -8.560872     -3.490804      2.973958
  H      -7.486422     -2.863745      5.222838
  H      -6.193652     -3.899983      5.907165
  H      -5.892690     -2.891090      4.456445
  H      -4.526545     -5.827606      9.104158
  H      -3.033647     -4.716058      9.243036
  H      -4.075681     -6.749962      5.826611
  H      -3.151460     -7.996481      6.687200
  H      -4.709236     -7.427036      7.356447
  H      -1.172640     -5.064242      7.782701
  H      -1.158363     -6.488315      6.736696
  H       0.266217     -5.189049      5.222208
  H       0.128374     -3.718960      6.208024
  H      -0.323072     -3.678028      4.481434
  H      -3.633109     -3.585667      6.215661
  H      -2.203672     -2.952039      7.060180
  H      -2.409143     -2.614751      5.324464
83
Coordinates from ORCA-job orca E -5365.997276766788
  N      -3.607580     -3.447760      2.009343
  C      -3.300509     -4.228162      0.797849
  C      -2.800622     -5.609712      1.193168
  N      -3.618084     -6.142594      2.324771
  C      -4.939152     -6.656811      1.854560
  C      -5.959005     -6.646750      2.993711
  N      -5.838234     -5.407929      3.754468
  Mo     -4.045175     -4.527283      3.625117
  N      -2.512593     -5.297360      4.632652
  C      -1.869737     -6.462971      4.032175
  C      -2.872239     -7.159795      3.121039
  H      -1.535167     -7.195160      4.791519
  H      -0.963516     -6.190833      3.452748
  H      -3.620086     -7.689322      3.725595
  H      -2.375646     -7.889121      2.454038
  H      -6.956249     -6.775371      2.535996
  H      -5.807816     -7.532782      3.642847
  H      -5.277979     -5.975128      1.062149
  H      -4.812708     -7.665438      1.418333
  H      -2.512165     -3.764386      0.177380
  H      -4.185773     -4.315804      0.135449
  H      -1.768856     -5.530075      1.563510
  H      -2.813410     -6.317257      0.343630
  C      -1.300227      0.472863      0.795188
  C      -1.441125     -0.252844      1.916282
  C      -1.117549      0.324864      3.267961
  C      -1.884860     -1.695506      1.892989
  C      -3.424560     -1.982317      1.842288
  C      -4.038458     -1.477848      0.526937
  C      -4.133806     -1.264299      2.988026
  C      -7.282893     -7.200118      6.385787
  C      -7.900425     -6.033042      6.154843
  C      -8.407718     -5.184725      7.289589
  C      -8.167658     -5.537429      4.754983
  C      -7.065498     -4.662107      4.076304
  C      -7.683503     -4.069529      2.792260
  C      -6.626976     -3.519969      4.997441
  C      -3.582394     -5.474578      8.692593
  C      -3.070537     -6.032491      7.583855
  C      -3.781556     -7.138808      6.861913
  C      -1.746431     -5.588602      7.019056
  C      -1.799421     -4.666791      5.756268
  C      -0.348976     -4.317299      5.374752
  C      -2.544459     -3.375349      6.100890
  H      -0.986235      1.518305      0.829741
  H      -1.491174      0.043074     -0.190184
  H      -1.962043      0.226509      3.967596
  H      -0.838919      1.385383      3.204091
  H      -0.278308     -0.228443      3.722222
  H      -1.516317     -2.209147      2.795688
  H      -1.427760     -2.200883      1.027784
  H      -3.966006     -0.383488      0.461132
  H      -5.101812     -1.758272      0.483829
  H      -3.535509     -1.895273     -0.356156
  H      -5.216735     -1.445348      2.935164
  H      -3.773431     -1.618786      3.965719
  H      -3.962814     -0.179744      2.929164
  H      -6.936834     -7.835519      5.568614
  H      -7.101191     -7.552269      7.403398
  H      -9.504588     -5.083239      7.234113
  H      -8.000660     -4.162952      7.249935
  H      -8.150135     -5.620174      8.264640
  H      -8.362507     -6.394888      4.092639
  H      -9.093350     -4.938125      4.759531
  H      -7.990154     -4.865314      2.095829
  H      -6.938848     -3.441139      2.281905
  H      -8.573591     -3.461266      3.015699
  H      -7.468087     -2.859747      5.256741
  H      -6.173859     -3.910930      5.917702
  H      -5.882910     -2.887160      4.474486
  H      -4.541837     -5.803993      9.098951
  H      -3.061591     -4.674473      9.223105
  H      -4.073446     -6.799588      5.855201
  H      -3.115814     -8.008570      6.731731
  H      -4.681427     -7.459514      7.400010
  H      -1.182576     -5.043454      7.791979
  H      -1.147312     -6.480697      6.765930
  H       0.250534     -5.222355      5.199343
  H       0.139882     -3.744235      6.176576
  H      -0.336975     -3.711564      4.456135
  H      -3.619101     -3.580265      6.241197
  H      -2.166384     -2.935775      7.035400
  H      -2.415024     -2.631177      5.299954
83
Coordinates from ORCA-job orca E -5365.997511436010
  N      -3.574837     -3.452207      2.008769
  C      -3.242522     -4.233996      0.803727
  C      -2.774297     -5.622489      1.211744
  N      -3.625917     -6.142502      2.322531
  C      -4.945527     -6.629021      1.822917
  C      -5.987916     -6.609650      2.941399
  N      -5.849520     -5.387058      3.725244
  Mo     -4.046027     -4.524082      3.617701
  N      -2.535348     -5.314917      4.644880
  C      -1.914349     -6.500636      4.060520
  C      -2.917340     -7.175359      3.132572
  H      -1.614938     -7.238022      4.829325
  H      -0.990197     -6.257330      3.496724
  H      -3.687059     -7.687322      3.725072
  H      -2.425828     -7.917192      2.475838
  H      -6.977975     -6.699295      2.459536
  H      -5.879437     -7.512987      3.574916
  H      -5.259052     -5.936265      1.029652
  H      -4.829198     -7.636674      1.381720
  H      -2.426951     -3.778411      0.212993
  H      -4.106894     -4.305038      0.112619
  H      -1.751796     -5.555596      1.608948
  H      -2.774378     -6.329123      0.361442
  C      -1.302657      0.488218      0.793807
  C      -1.450569     -0.228935      1.919396
  C      -1.157769      0.366477      3.270311
  C      -1.872944     -1.678128      1.902159
  C      -3.408380     -1.986212      1.833022
  C      -4.012118     -1.498653      0.506931
  C      -4.140025     -1.269081      2.965521
  C      -7.254688     -7.229487      6.368719
  C      -7.867900     -6.056065      6.160113
  C      -8.354172     -5.219552      7.313339
  C      -8.155621     -5.544387      4.770098
  C      -7.071870     -4.649904      4.083281
  C      -7.719125     -4.041808      2.820433
  C      -6.619110     -3.517649      5.009492
  C      -3.612542     -5.436728      8.677863
  C      -3.080869     -6.021022      7.592484
  C      -3.773393     -7.154027      6.892790
  C      -1.754422     -5.578339      7.031322
  C      -1.804633     -4.677820      5.752601
  C      -0.353389     -4.351111      5.353755
  C      -2.530589     -3.371219      6.079531
  H      -1.004588      1.538372      0.822976
  H      -1.471230      0.046188     -0.190131
  H      -2.012817      0.263101      3.956004
  H      -0.892801      1.430023      3.200004
  H      -0.318574     -0.170036      3.744281
  H      -1.510332     -2.179125      2.814269
  H      -1.395059     -2.182510      1.047889
  H      -3.949473     -0.404259      0.434248
  H      -5.071967     -1.790419      0.454369
  H      -3.495075     -1.917992     -0.366913
  H      -5.217885     -1.478224      2.912174
  H      -3.774259     -1.596442      3.950528
  H      -3.995810     -0.181860      2.886987
  H      -6.922312     -7.857476      5.540000
  H      -7.062383     -7.596280      7.378861
  H      -9.449823     -5.102179      7.268090
  H      -7.933397     -4.203543      7.287960
  H      -8.094885     -5.675182      8.278586
  H      -8.349248     -6.395928      4.100341
  H      -9.087718     -4.955611      4.794781
  H      -8.028074     -4.828964      2.116106
  H      -6.991367     -3.395138      2.308286
  H      -8.612189     -3.448156      3.069081
  H      -7.455191     -2.861247      5.292640
  H      -6.145966     -3.918180      5.915110
  H      -5.886611     -2.879054      4.478176
  H      -4.572999     -5.762688      9.083170
  H      -3.105441     -4.617357      9.191942
  H      -4.078175     -6.841920      5.881526
  H      -3.092739     -8.013394      6.777463
  H      -4.665432     -7.481023      7.439880
  H      -1.202972     -5.014128      7.799479
  H      -1.144409     -6.468760      6.800818
  H       0.232759     -5.265125      5.180325
  H       0.151079     -3.777016      6.144967
  H      -0.344531     -3.754040      4.429412
  H      -3.601105     -3.563372      6.257720
  H      -2.120208     -2.905442      6.987417
  H      -2.418885     -2.653231      5.252202
83
Coordinates from ORCA-job orca E -5365.997642907503
  N      -3.559118     -3.457142      2.019527
  C      -3.219945     -4.239262      0.814870
  C      -2.768981     -5.632079      1.226072
  N      -3.635709     -6.146985      2.327794
  C      -4.954228     -6.622316      1.816631
  C      -6.006643     -6.591589      2.924812
  N      -5.859523     -5.371502      3.710843
  Mo     -4.046273     -4.526873      3.622222
  N      -2.535008     -5.325703      4.647290
  C      -1.932370     -6.524149      4.070346
  C      -2.941716     -7.186928      3.140566
  H      -1.650779     -7.264157      4.843498
  H      -1.000075     -6.300534      3.511569
  H      -3.717849     -7.690458      3.732301
  H      -2.457313     -7.935254      2.485755
  H      -6.993548     -6.665745      2.433365
  H      -5.919415     -7.498422      3.556936
  H      -5.255018     -5.927756      1.020046
  H      -4.842895     -7.631567      1.378019
  H      -2.391821     -3.788593      0.237682
  H      -4.076097     -4.299066      0.112743
  H      -1.750591     -5.572161      1.634667
  H      -2.764560     -6.337368      0.374609
  C      -1.305294      0.492554      0.800661
  C      -1.458915     -0.217343      1.930240
  C      -1.187178      0.391549      3.279581
  C      -1.868966     -1.670304      1.918819
  C      -3.401769     -1.990577      1.840453
  C      -3.999280     -1.511373      0.508522
  C      -4.146941     -1.274307      2.965403
  C      -7.274101     -7.250791      6.344016
  C      -7.879121     -6.072181      6.140240
  C      -8.361568     -5.239358      7.298267
  C      -8.163395     -5.551565      4.752881
  C      -7.083083     -4.641354      4.080561
  C      -7.731265     -4.015466      2.826585
  C      -6.636046     -3.521784      5.024049
  C      -3.593179     -5.395604      8.673268
  C      -3.056965     -6.002906      7.603091
  C      -3.749120     -7.150231      6.928007
  C      -1.731674     -5.569321      7.031713
  C      -1.786005     -4.685640      5.741038
  C      -0.335383     -4.377746      5.323981
  C      -2.494294     -3.367039      6.057503
  H      -1.016800      1.545661      0.824622
  H      -1.459385      0.041307     -0.181669
  H      -2.049703      0.285415      3.955500
  H      -0.931403      1.457071      3.203517
  H      -0.348604     -0.132567      3.768644
  H      -1.509107     -2.163143      2.836470
  H      -1.380175     -2.174881      1.070859
  H      -3.943832     -0.416678      0.433980
  H      -5.056618     -1.811408      0.449416
  H      -3.472491     -1.929346     -0.360250
  H      -5.221321     -1.500349      2.910986
  H      -3.779106     -1.583609      3.955340
  H      -4.020072     -0.185641      2.874739
  H      -6.942972     -7.877503      5.513363
  H      -7.085820     -7.624064      7.353002
  H      -9.455748     -5.109604      7.248344
  H      -7.929556     -4.227848      7.283354
  H      -8.112135     -5.706005      8.260889
  H      -8.344251     -6.398534      4.073895
  H      -9.101523     -4.972294      4.777775
  H      -8.027801     -4.792367      2.106079
  H      -7.008803     -3.349852      2.331108
  H      -8.631994     -3.436186      3.081296
  H      -7.473426     -2.870375      5.314455
  H      -6.165425     -3.936117      5.925342
  H      -5.901157     -2.876526      4.505916
  H      -4.553908     -5.715351      9.083822
  H      -3.089446     -4.563783      9.170871
  H      -4.066397     -6.853966      5.916102
  H      -3.066363     -8.008531      6.818263
  H      -4.634656     -7.472983      7.488064
  H      -1.179414     -4.992484      7.790004
  H      -1.120221     -6.461464      6.812242
  H       0.239290     -5.298904      5.149400
  H       0.184059     -3.804315      6.106037
  H      -0.331083     -3.785871      4.396086
  H      -3.559018     -3.547321      6.278070
  H      -2.049301     -2.876979      6.936061
  H      -2.407480     -2.674432      5.205744
83
Coordinates from ORCA-job orca E -5365.997769783105
  N      -3.550779     -3.461201      2.019211
  C      -3.212055     -4.242645      0.814731
  C      -2.764593     -5.636047      1.226116
  N      -3.636906     -6.148745      2.324545
  C      -4.953386     -6.619877      1.805910
  C      -6.013247     -6.580377      2.906285
  N      -5.865173     -5.358996      3.691082
  Mo     -4.045289     -4.528900      3.620157
  N      -2.536563     -5.329708      4.648784
  C      -1.938223     -6.531342      4.074552
  C      -2.947985     -7.188959      3.140144
  H      -1.666484     -7.274312      4.848743
  H      -1.000218     -6.314209      3.522942
  H      -3.725771     -7.690877      3.731181
  H      -2.464673     -7.939045      2.486389
  H      -6.997404     -6.651174      2.408528
  H      -5.935296     -7.485887      3.541737
  H      -5.244921     -5.925364      1.005971
  H      -4.844606     -7.630701      1.370785
  H      -2.381676     -3.793085      0.239756
  H      -4.067629     -4.300080      0.111881
  H      -1.747300     -5.578887      1.637521
  H      -2.758810     -6.339908      0.373460
  C      -1.303336      0.493755      0.803892
  C      -1.460514     -0.215012      1.933681
  C      -1.197519      0.396922      3.283464
  C      -1.865815     -1.669332      1.921748
  C      -3.397372     -1.994977      1.840296
  C      -3.992516     -1.515823      0.506866
  C      -4.149859     -1.282507      2.963497
  C      -7.253405     -7.250990      6.337606
  C      -7.866136     -6.075287      6.141105
  C      -8.347812     -5.249646      7.304925
  C      -8.158758     -5.551483      4.756983
  C      -7.087498     -4.634041      4.078083
  C      -7.749319     -4.002762      2.834290
  C      -6.633238     -3.517826      5.022466
  C      -3.602991     -5.376899      8.665973
  C      -3.062065     -5.998503      7.606239
  C      -3.752992     -7.154460      6.941107
  C      -1.735246     -5.569031      7.034553
  C      -1.786496     -4.690197      5.739994
  C      -0.334088     -4.385514      5.325279
  C      -2.492096     -3.368498      6.050516
  H      -1.017855      1.547724      0.827478
  H      -1.451369      0.040996     -0.178731
  H      -2.063041      0.287631      3.954950
  H      -0.946363      1.463516      3.206844
  H      -0.358853     -0.122042      3.777843
  H      -1.505474     -2.160979      2.839774
  H      -1.374389     -2.172068      1.074158
  H      -3.942191     -0.420716      0.435836
  H      -5.048056     -1.821237      0.443032
  H      -3.459899     -1.928677     -0.360731
  H      -5.222114     -1.518438      2.906301
  H      -3.781640     -1.585936      3.955034
  H      -4.033270     -0.192828      2.870818
  H      -6.922248     -7.873494      5.503832
  H      -7.056861     -7.625874      7.344216
  H      -9.442830     -5.125118      7.259501
  H      -7.920702     -4.236084      7.292650
  H      -8.092564     -5.719768      8.264262
  H      -8.337697     -6.397712      4.077073
  H      -9.099766     -4.977432      4.789443
  H      -8.043323     -4.776358      2.109109
  H      -7.036053     -3.325809      2.340938
  H      -8.653280     -3.433279      3.099464
  H      -7.469364     -2.870791      5.325541
  H      -6.152689     -3.936608      5.916780
  H      -5.903468     -2.869099      4.502688
  H      -4.564733     -5.691173      9.077566
  H      -3.101961     -4.537923      9.154353
  H      -4.071904     -6.865592      5.927028
  H      -3.069596     -8.012686      6.837603
  H      -4.637443     -7.473998      7.504506
  H      -1.183657     -4.988150      7.790213
  H      -1.124478     -6.462563      6.819012
  H       0.239372     -5.307370      5.150476
  H       0.184686     -3.814357      6.109377
  H      -0.326403     -3.791852      4.398611
  H      -3.552713     -3.546570      6.293131
  H      -2.031161     -2.861852      6.911223
  H      -2.422775     -2.691214      5.184607
83
Coordinates from ORCA-job orca E -5365.997868011082
  N      -3.546819     -3.464444      2.016520
  C      -3.209271     -4.246120      0.812603
  C      -2.763372     -5.640485      1.223709
  N      -3.639552     -6.152586      2.320329
  C      -4.955564     -6.621688      1.798454
  C      -6.020815     -6.572976      2.893659
  N      -5.872626     -5.346962      3.671612
  Mo     -4.047332     -4.533058      3.615265
  N      -2.540077     -5.332799      4.647713
  C      -1.942928     -6.535459      4.075169
  C      -2.953123     -7.191303      3.138721
  H      -1.675501     -7.280565      4.849373
  H      -1.002046     -6.320508      3.527875
  H      -3.731516     -7.691808      3.730209
  H      -2.470365     -7.943051      2.486150
  H      -7.003085     -6.645647      2.391859
  H      -5.946673     -7.473740      3.536441
  H      -5.239102     -5.929004      0.994129
  H      -4.849338     -7.634667      1.368343
  H      -2.379123     -3.797694      0.236199
  H      -4.065891     -4.303546      0.110948
  H      -1.746470     -5.586300      1.636434
  H      -2.757449     -6.343520      0.370324
  C      -1.291207      0.490354      0.811416
  C      -1.457995     -0.218117      1.940010
  C      -1.206719      0.394389      3.291788
  C      -1.863225     -1.672261      1.925106
  C      -3.393930     -1.998358      1.838889
  C      -3.983014     -1.518370      0.502549
  C      -4.153499     -1.286526      2.957913
  C      -7.233161     -7.253422      6.321961
  C      -7.851704     -6.078812      6.137678
  C      -8.326317     -5.261627      7.310204
  C      -8.156835     -5.547474      4.759132
  C      -7.092254     -4.626051      4.075505
  C      -7.764007     -3.988812      2.840913
  C      -6.629570     -3.515562      5.022822
  C      -3.606021     -5.359645      8.664364
  C      -3.063501     -5.992240      7.611754
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  C      -1.738474     -5.565703      7.035044
  C      -1.792668     -4.690224      5.737903
  C      -0.340422     -4.381147      5.325659
  C      -2.503285     -3.370318      6.046350
  H      -1.005732      1.544281      0.836995
  H      -1.431476      0.037828     -0.172448
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  H      -0.957687      1.461595      3.217063
  H      -0.370825     -0.122180      3.793197
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  H      -1.370970     -2.174434      1.077536
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  H      -3.443463     -1.927913     -0.362344
  H      -5.224729     -1.525267      2.892686
  H      -3.791469     -1.589249      3.951774
  H      -4.039597     -0.196336      2.867282
  H      -6.907848     -7.870835      5.482409
  H      -7.026007     -7.632641      7.324727
  H      -9.422335     -5.142478      7.275886
  H      -7.904363     -4.245798      7.298407
  H      -8.059478     -5.735432      8.264508
  H      -8.340903     -6.389925      4.076062
  H      -9.097591     -4.973962      4.803486
  H      -8.058029     -4.758975      2.111763
  H      -7.056628     -3.304847      2.349223
  H      -8.669051     -3.425274      3.115234
  H      -7.464257     -2.872139      5.337416
  H      -6.142279     -3.940350      5.910917
  H      -5.902748     -2.863405      4.503986
  H      -4.567444     -5.671530      9.078829
  H      -3.107852     -4.513579      9.143314
  H      -4.072481     -6.875588      5.943465
  H      -3.066575     -8.014794      6.860803
  H      -4.634446     -7.473932      7.527202
  H      -1.183437     -4.982719      7.786441
  H      -1.130464     -6.460814      6.818349
  H       0.236252     -5.300872      5.150243
  H       0.174752     -3.810342      6.112301
  H      -0.331490     -3.785086      4.400564
  H      -3.558194     -3.552116      6.309654
  H      -2.030156     -2.847199      6.890300
  H      -2.455312     -2.705302      5.168845
83
Coordinates from ORCA-job orca E -5365.997924482859
  N      -3.543349     -3.465129      2.015691
  C      -3.205773     -4.248126      0.813551
  C      -2.760953     -5.642853      1.225350
  N      -3.640448     -6.153126      2.320695
  C      -4.957118     -6.618433      1.796328
  C      -6.026244     -6.562578      2.887120
  N      -5.876518     -5.333504      3.659325
  Mo     -4.046743     -4.532944      3.615281
  N      -2.544202     -5.336225      4.651868
  C      -1.948781     -6.540020      4.080586
  C      -2.959189     -7.192509      3.142181
  H      -1.684881     -7.287107      4.854336
  H      -1.006108     -6.326902      3.535689
  H      -3.740782     -7.689216      3.732779
  H      -2.477625     -7.947024      2.491743
  H      -7.006582     -6.635198      2.381006
  H      -5.955799     -7.460017      3.534788
  H      -5.233728     -5.926774      0.988684
  H      -4.854381     -7.633145      1.369642
  H      -2.376170     -3.800914      0.235316
  H      -4.062729     -4.307308      0.112152
  H      -1.744398     -5.591818      1.639329
  H      -2.755555     -6.345822      0.371863
  C      -1.283990      0.488008      0.808200
  C      -1.457569     -0.217396      1.937717
  C      -1.215528      0.399163      3.289391
  C      -1.861870     -1.671652      1.924524
  C      -3.391841     -1.999165      1.835342
  C      -3.976290     -1.523680      0.495059
  C      -4.157228     -1.284462      2.948272
  C      -7.222707     -7.258667      6.301812
  C      -7.842328     -6.082416      6.131074
  C      -8.310953     -5.274858      7.312401
  C      -8.154616     -5.539630      4.758365
  C      -7.093630     -4.615500      4.074051
  C      -7.771367     -3.974593      2.844912
  C      -6.625576     -3.509753      5.024214
  C      -3.602218     -5.359369      8.671181
  C      -3.060570     -5.996175      7.620437
  C      -3.745381     -7.168061      6.976066
  C      -1.738661     -5.567624      7.037649
  C      -1.798832     -4.691118      5.740820
  C      -0.348451     -4.375953      5.327336
  C      -2.514826     -3.374630      6.051538
  H      -0.999495      1.542256      0.832620
  H      -1.418048      0.032863     -0.175337
  H      -2.089431      0.286594      3.949350
  H      -0.969194      1.466908      3.213475
  H      -0.380999     -0.113837      3.796700
  H      -1.503683     -2.162371      2.843985
  H      -1.368732     -2.175676      1.078498
  H      -3.930415     -0.428428      0.423410
  H      -5.029561     -1.834155      0.419674
  H      -3.431809     -1.934527     -0.366195
  H      -5.227907     -1.524150      2.877072
  H      -3.801125     -1.585208      3.944816
  H      -4.043498     -0.194364      2.856885
  H      -6.903428     -7.869442      5.455277
  H      -7.010809     -7.647024      7.299962
  H      -9.407477     -5.158293      7.286640
  H      -7.891627     -4.257820      7.304194
  H      -8.036149     -5.754439      8.261563
  H      -8.345340     -6.376635      4.070132
  H      -9.093268     -4.963618      4.812894
  H      -8.067455     -4.742811      2.114462
  H      -7.066566     -3.288688      2.352484
  H      -8.675846     -3.412920      3.125141
  H      -7.459523     -2.868357      5.345227
  H      -6.135122     -3.938369      5.908774
  H      -5.900441     -2.855112      4.506093
  H      -4.561584     -5.671937      9.089978
  H      -3.105966     -4.508609      9.143629
  H      -4.069824     -6.894022      5.959653
  H      -3.056407     -8.023335      6.880614
  H      -4.625036     -7.486133      7.548654
  H      -1.179649     -4.985095      7.786315
  H      -1.132210     -6.462670      6.816286
  H       0.231090     -5.293311      5.148821
  H       0.165509     -3.805753      6.115219
  H      -0.341626     -3.777223      4.403898
  H      -3.564630     -3.561066      6.329168
  H      -2.033443     -2.842016      6.884716
  H      -2.482972     -2.715207      5.168373
83
Coordinates from ORCA-job orca E -5365.997971124752
  N      -3.536363     -3.465423      2.013628
  C      -3.192929     -4.250752      0.814894
  C      -2.754805     -5.647163      1.229502
  N      -3.642736     -6.154569      2.319463
  C      -4.960322     -6.611919      1.788981
  C      -6.035260     -6.550139      2.873878
  N      -5.883078     -5.320746      3.644339
  Mo     -4.049182     -4.533673      3.612115
  N      -2.556749     -5.344057      4.657723
  C      -1.962751     -6.549084      4.088072
  C      -2.972006     -7.197259      3.145423
  H      -1.702659     -7.297903      4.861322
  H      -1.018452     -6.337314      3.545388
  H      -3.760373     -7.688112      3.731946
  H      -2.491011     -7.955559      2.499003
  H      -7.012506     -6.618764      2.360970
  H      -5.971648     -7.446956      3.522622
  H      -5.227986     -5.919265      0.979275
  H      -4.862194     -7.627557      1.363315
  H      -2.359350     -3.806693      0.239957
  H      -4.045542     -4.309867      0.107848
  H      -1.740647     -5.600822      1.649851
  H      -2.747239     -6.350183      0.376022
  C      -1.276167      0.488299      0.806419
  C      -1.456779     -0.213638      1.936952
  C      -1.226013      0.408011      3.288296
  C      -1.858085     -1.668551      1.925862
  C      -3.386875     -1.999349      1.830360
  C      -3.964833     -1.528628      0.485375
  C      -4.159960     -1.282743      2.936198
  C      -7.209636     -7.269630      6.278106
  C      -7.824597     -6.088435      6.125343
  C      -8.272634     -5.287350      7.318662
  C      -8.152205     -5.531736      4.761334
  C      -7.096643     -4.605883      4.072200
  C      -7.784052     -3.961706      2.849996
  C      -6.621744     -3.503714      5.022779
  C      -3.602864     -5.358210      8.680773
  C      -3.059567     -5.998427      7.633004
  C      -3.734588     -7.181475      7.000483
  C      -1.742726     -5.565450      7.042930
  C      -1.812399     -4.692597      5.743876
  C      -0.365109     -4.371243      5.325075
  C      -2.535412     -3.380098      6.053675
  H      -0.994311      1.543239      0.829453
  H      -1.402038      0.029697     -0.176524
  H      -2.103279      0.293652      3.943256
  H      -0.983676      1.476508      3.210790
  H      -0.392501     -0.100244      3.801946
  H      -1.502478     -2.156062      2.848071
  H      -1.361210     -2.174385      1.083151
  H      -3.920497     -0.433521      0.410552
  H      -5.017060     -1.840987      0.404432
  H      -3.414733     -1.940880     -0.371571
  H      -5.229930     -1.523501      2.858498
  H      -3.810591     -1.582567      3.935411
  H      -4.045918     -0.192834      2.844567
  H      -6.907145     -7.875615      5.422313
  H      -6.988035     -7.668550      7.269857
  H      -9.369025     -5.167642      7.310894
  H      -7.850609     -4.271424      7.309470
  H      -7.984190     -5.773092      8.260597
  H      -8.357278     -6.361146      4.067865
  H      -9.086472     -4.950582      4.833349
  H      -8.087425     -4.728468      2.121164
  H      -7.082244     -3.276924      2.352035
  H      -8.685260     -3.399267      3.139075
  H      -7.454236     -2.863659      5.350611
  H      -6.126138     -3.934284      5.903322
  H      -5.900433     -2.846990      4.501654
  H      -4.558754     -5.674711      9.104644
  H      -3.111732     -4.500269      9.145318
  H      -4.064752     -6.919816      5.982833
  H      -3.037080     -8.030747      6.910299
  H      -4.609570     -7.503739      7.578557
  H      -1.181616     -4.979827      7.787508
  H      -1.134660     -6.458911      6.819931
  H       0.217452     -5.286477      5.145600
  H       0.149247     -3.798133      6.110586
  H      -0.363309     -3.773826      4.400807
  H      -3.580312     -3.571925      6.342954
  H      -2.048260     -2.837728      6.877039
  H      -2.517449     -2.726256      5.165235
83
Coordinates from ORCA-job orca E -5365.998001000625
  N      -3.529768     -3.463618      2.014145
  C      -3.182466     -4.251195      0.818385
  C      -2.749022     -5.647981      1.235754
  N      -3.642909     -6.151886      2.321777
  C      -4.961041     -6.601733      1.785639
  C      -6.039593     -6.536774      2.866392
  N      -5.885316     -5.308621      3.637589
  Mo     -4.048182     -4.529810      3.614274
  N      -2.566018     -5.349986      4.666961
  C      -1.972943     -6.554971      4.096754
  C      -2.981534     -7.198531      3.150663
  H      -1.714765     -7.305505      4.868751
  H      -1.028098     -6.343406      3.554792
  H      -3.775928     -7.684054      3.733585
  H      -2.501655     -7.959826      2.507093
  H      -7.014821     -6.600953      2.348854
  H      -5.981535     -7.434751      3.513819
  H      -5.222334     -5.907038      0.975675
  H      -4.866694     -7.617465      1.359088
  H      -2.345951     -3.809467      0.245874
  H      -4.031654     -4.310782      0.107051
  H      -1.736707     -5.604499      1.660817
  H      -2.739847     -6.351292      0.382480
  C      -1.275733      0.489253      0.792524
  C      -1.457174     -0.207120      1.926363
  C      -1.230950      0.422243      3.274966
  C      -1.854797     -1.663029      1.922186
  C      -3.382819     -1.997781      1.825114
  C      -3.958953     -1.534652      0.476782
  C      -4.159188     -1.277226      2.925845
  C      -7.205436     -7.280711      6.257921
  C      -7.814769     -6.094811      6.119327
  C      -8.251329     -5.301322      7.321905
  C      -8.149644     -5.525628      4.761916
  C      -7.097483     -4.596870      4.071702
  C      -7.791607     -3.951207      2.853583
  C      -6.621366     -3.495637      5.022555
  C      -3.600636     -5.368035      8.692868
  C      -3.057676     -6.008058      7.644920
  C      -3.726807     -7.197895      7.018718
  C      -1.744557     -5.569684      7.049713
  C      -1.821231     -4.696327      5.751637
  C      -0.376389     -4.370504      5.327766
  C      -2.547959     -3.386666      6.063281
  H      -0.996951      1.545109      0.810639
  H      -1.397896      0.024934     -0.188205
  H      -2.108414      0.307603      3.929527
  H      -0.992652      1.491277      3.192489
  H      -0.395959     -0.080507      3.791691
  H      -1.500048     -2.144786      2.847739
  H      -1.355112     -2.172240      1.083231
  H      -3.915626     -0.439897      0.396277
  H      -5.010749     -1.848377      0.395612
  H      -3.407290     -1.950744     -0.377335
  H      -5.229045     -1.518077      2.847148
  H      -3.812302     -1.574154      3.926884
  H      -4.044265     -0.187807      2.830426
  H      -6.913884     -7.881083      5.394405
  H      -6.980101     -7.690688      7.244258
  H      -9.347528     -5.179636      7.324160
  H      -7.827599     -4.286186      7.316091
  H      -7.955941     -5.793795      8.258212
  H      -8.363966     -6.348617      4.063290
  H      -9.080806     -4.940914      4.845468
  H      -8.101080     -4.717426      2.126927
  H      -7.091574     -3.268169      2.350788
  H      -8.689991     -3.387468      3.148568
  H      -7.453919     -2.856940      5.353078
  H      -6.122678     -3.925847      5.901363
  H      -5.903457     -2.837130      4.498849
  H      -4.553179     -5.687897      9.121562
  H      -3.111834     -4.506439      9.153058
  H      -4.062167     -6.945337      6.000422
  H      -3.023278     -8.042244      6.931594
  H      -4.598033     -7.523765      7.600285
  H      -1.182439     -4.983343      7.792965
  H      -1.134257     -6.460966      6.823998
  H       0.207525     -5.284429      5.145985
  H       0.139953     -3.796036      6.111035
  H      -0.379825     -3.773612      4.403188
  H      -3.590857     -3.582004      6.356139
  H      -2.059000     -2.842459      6.884419
  H      -2.534672     -2.732317      5.174748
83
Coordinates from ORCA-job orca E -5365.998017328618
  N      -3.522985     -3.462320      2.014213
  C      -3.171686     -4.251405      0.820365
  C      -2.743988     -5.649078      1.240384
  N      -3.643900     -6.150333      2.322048
  C      -4.961857     -6.594069      1.780289
  C      -6.043211     -6.528289      2.858279
  N      -5.887632     -5.302522      3.632902
  Mo     -4.048810     -4.527442      3.613849
  N      -2.575406     -5.355353      4.673160
  C      -1.982473     -6.560067      4.102557
  C      -2.990160     -7.200382      3.153123
  H      -1.725765     -7.311505      4.874002
  H      -1.037020     -6.348611      3.561558
  H      -3.789055     -7.682246      3.732933
  H      -2.510853     -7.963573      2.511539
  H      -7.017361     -6.587986      2.338143
  H      -5.989790     -7.428691      3.502704
  H      -5.218699     -5.896503      0.971494
  H      -4.869668     -7.609050      1.351412
  H      -2.331025     -3.811909      0.252180
  H      -4.016907     -4.309218      0.104177
  H      -1.733763     -5.607247      1.670532
  H      -2.732134     -6.352518      0.387209
  C      -1.277264      0.491535      0.783297
  C      -1.456632     -0.201323      1.919614
  C      -1.230475      0.433095      3.265892
  C      -1.850911     -1.658200      1.920527
  C      -3.378290     -1.996649      1.822236
  C      -3.954422     -1.537117      0.472814
  C      -4.156216     -1.275509      2.921592
  C      -7.202124     -7.291255      6.245678
  C      -7.804681     -6.100914      6.116422
  C      -8.226854     -5.309683      7.325719
  C      -8.147942     -5.524386      4.764047
  C      -7.099329     -4.593295      4.070999
  C      -7.799477     -3.947049      2.856265
  C      -6.623333     -3.491035      5.020753
  C      -3.603928     -5.371078      8.699343
  C      -3.059335     -6.011910      7.652928
  C      -3.723484     -7.207109      7.032270
  C      -1.748464     -5.570355      7.055070
  C      -1.829354     -4.699409      5.756396
  C      -0.385989     -4.371689      5.328421
  C      -2.558082     -3.390651      6.066650
  H      -1.000806      1.548044      0.797653
  H      -1.398637      0.023404     -0.195709
  H      -2.106731      0.318412      3.921995
  H      -0.994868      1.502421      3.179553
  H      -0.393418     -0.065995      3.782849
  H      -1.497058     -2.135660      2.848628
  H      -1.348289     -2.169201      1.084479
  H      -3.912527     -0.442469      0.390305
  H      -5.005833     -1.852307      0.392176
  H      -3.402326     -1.954076     -0.380573
  H      -5.225951     -1.517162      2.843724
  H      -3.809055     -1.571172      3.922989
  H      -4.041869     -0.186225      2.824099
  H      -6.922337     -7.890072      5.377184
  H      -6.971135     -7.707022      7.228286
  H      -9.322517     -5.183790      7.338293
  H      -7.799239     -4.296273      7.319650
  H      -7.925053     -5.806447      8.257706
  H      -8.369648     -6.343124      4.062745
  H      -9.077178     -4.937970      4.857474
  H      -8.113916     -4.712962      2.131506
  H      -7.101519     -3.264671      2.349695
  H      -8.695641     -3.382621      3.156286
  H      -7.456136     -2.853925      5.353600
  H      -6.120921     -3.919824      5.898063
  H      -5.909013     -2.831159      4.493999
  H      -4.554515     -5.693385      9.130484
  H      -3.117814     -4.506169      9.156249
  H      -4.062152     -6.962092      6.013443
  H      -3.015665     -8.048208      6.948895
  H      -4.592488     -7.534883      7.616111
  H      -1.187644     -4.981211      7.797171
  H      -1.134980     -6.459757      6.830585
  H       0.198817     -5.285136      5.147139
  H       0.131907     -3.794385      6.108574
  H      -0.393649     -3.777395      4.402246
  H      -3.600897     -3.587629      6.358914
  H      -2.070293     -2.845755      6.888101
  H      -2.544450     -2.736071      5.178230
83
Coordinates from ORCA-job orca E -5365.998024903511
  N      -3.517815     -3.461240      2.015439
  C      -3.165917     -4.250976      0.822052
  C      -2.741318     -5.649109      1.243326
  N      -3.644410     -6.148578      2.322833
  C      -4.962023     -6.588842      1.777827
  C      -6.044342     -6.522648      2.854673
  N      -5.888005     -5.298182      3.631477
  Mo     -4.047837     -4.525083      3.614769
  N      -2.579393     -5.358350      4.677341
  C      -1.987039     -6.562857      4.106055
  C      -2.994783     -7.200616      3.154810
  H      -1.731635     -7.315145      4.877108
  H      -1.040877     -6.352046      3.566044
  H      -3.795711     -7.680342      3.733573
  H      -2.516554     -7.964800      2.513672
  H      -7.018537     -6.580060      2.334378
  H      -5.993225     -7.424391      3.497552
  H      -5.216429     -5.888993      0.970283
  H      -4.870954     -7.603120      1.347151
  H      -2.323306     -3.812624      0.255813
  H      -4.009829     -4.307076      0.104304
  H      -1.732055     -5.607853      1.675747
  H      -2.728123     -6.352533      0.390138
  C      -1.279924      0.492473      0.773910
  C      -1.456479     -0.196916      1.912795
  C      -1.229119      0.442336      3.256577
  C      -1.848366     -1.654511      1.918987
  C      -3.375256     -1.995745      1.821532
  C      -3.953295     -1.538658      0.472204
  C      -4.152830     -1.274337      2.921231
  C      -7.202267     -7.298156      6.238119
  C      -7.800795     -6.105290      6.113630
  C      -8.217263     -5.316475      7.326663
  C      -8.146958     -5.524706      4.763806
  C      -7.100346     -4.591003      4.070559
  C      -7.803281     -3.944534      2.857428
  C      -6.626475     -3.487698      5.020377
  C      -3.604923     -5.372558      8.702751
  C      -3.060041     -6.014969      7.657507
  C      -3.723508     -7.212558      7.040341
  C      -1.749815     -5.572865      7.058344
  C      -1.831887     -4.702533      5.759943
  C      -0.388943     -4.374608      5.330116
  C      -2.560304     -3.393336      6.069691
  H      -1.005084      1.549455      0.784348
  H      -1.401896      0.020807     -0.203339
  H      -2.104237      0.328610      3.914425
  H      -0.995149      1.511707      3.166223
  H      -0.390439     -0.053745      3.773823
  H      -1.494559     -2.128022      2.849110
  H      -1.344062     -2.167394      1.085115
  H      -3.913402     -0.444021      0.388753
  H      -5.004282     -1.855774      0.393198
  H      -3.401492     -1.955482     -0.381440
  H      -5.222552     -1.516650      2.845123
  H      -3.804030     -1.568661      3.922468
  H      -4.039536     -0.185051      2.821920
  H      -6.927673     -7.895756      5.367034
  H      -6.969030     -7.717325      7.218748
  H      -9.312727     -5.188987      7.343102
  H      -7.788117     -4.303793      7.322475
  H      -7.913436     -5.816606      8.256187
  H      -8.370195     -6.341310      4.060553
  H      -9.076206     -4.938862      4.861330
  H      -8.118934     -4.709998      2.132709
  H      -7.106803     -3.260891      2.350498
  H      -8.699142     -3.380960      3.159797
  H      -7.460429     -2.853212      5.355147
  H      -6.121214     -3.915604      5.896530
  H      -5.914758     -2.825940      4.492855
  H      -4.554858     -5.694893      9.135231
  H      -3.119349     -4.506214      9.157606
  H      -4.063838     -6.971509      6.021188
  H      -3.014981     -8.053166      6.959291
  H      -4.591759     -7.539565      7.625620
  H      -1.189605     -4.982570      7.800070
  H      -1.135108     -6.461623      6.834598
  H       0.196099     -5.287992      5.149243
  H       0.129822     -3.795939      6.108669
  H      -0.398778     -3.781619      4.403149
  H      -3.603679     -3.590202      6.360661
  H      -2.073632     -2.849003      6.892232
  H      -2.544938     -2.738351      5.181657
83
Coordinates from ORCA-job orca E -5365.998029514953
  N      -3.513582     -3.460324      2.016615
  C      -3.161940     -4.250188      0.823120
  C      -2.739482     -5.648881      1.244860
  N      -3.644908     -6.147423      2.322788
  C      -4.962246     -6.585438      1.775628
  C      -6.044882     -6.519249      2.851959
  N      -5.888304     -5.295361      3.630124
  Mo     -4.047144     -4.523743      3.614873
  N      -2.582085     -5.360552      4.679752
  C      -1.990218     -6.564963      4.108092
  C      -2.997960     -7.200688      3.155335
  H      -1.736325     -7.318092      4.878903
  H      -1.043112     -6.354849      3.569482
  H      -3.800016     -7.679056      3.733624
  H      -2.520627     -7.965441      2.514229
  H      -7.019425     -6.575892      2.332296
  H      -5.994472     -7.421503      3.494244
  H      -5.214968     -5.883564      0.969323
  H      -4.871844     -7.599029      1.343343
  H      -2.318269     -3.812523      0.257888
  H      -4.005532     -4.304668      0.104987
  H      -1.730834     -5.608132      1.678717
  H      -2.725356     -6.352104      0.391512
  C      -1.280983      0.492136      0.766413
  C      -1.455770     -0.193754      1.907684
  C      -1.227105      0.449991      3.249077
  C      -1.846439     -1.651724      1.918809
  C      -3.372906     -1.994907      1.822101
  C      -3.952662     -1.539035      0.473118
  C      -4.150340     -1.274037      2.922442
  C      -7.202378     -7.303864      6.232454
  C      -7.797515     -6.108942      6.111472
  C      -8.208340     -5.321456      7.327396
  C      -8.146306     -5.525505      4.763665
  C      -7.101303     -4.589874      4.070212
  C      -7.806046     -3.943138      2.858300
  C      -6.629065     -3.486112      5.020481
  C      -3.606887     -5.371619      8.704165
  C      -3.061669     -6.016189      7.660407
  C      -3.725066     -7.215650      7.046514
  C      -1.751595     -5.574730      7.060403
  C      -1.833860     -4.704891      5.762002
  C      -0.390978     -4.376927      5.331669
  C      -2.562041     -3.395195      6.071010
  H      -1.006730      1.549293      0.773177
  H      -1.403799      0.017302     -0.209195
  H      -2.101599      0.338355      3.908145
  H      -0.993454      1.519107      3.154878
  H      -0.387775     -0.044038      3.767216
  H      -1.492743     -2.121734      2.850753
  H      -1.341022     -2.166736      1.086913
  H      -3.915179     -0.444329      0.389726
  H      -5.003035     -1.858430      0.394970
  H      -3.400532     -1.954710     -0.380868
  H      -5.219992     -1.516920      2.846905
  H      -3.800550     -1.567989      3.923417
  H      -4.038149     -0.184644      2.822762
  H      -6.932505     -7.901132      5.359650
  H      -6.966850     -7.724993      7.211677
  H      -9.303582     -5.192401      7.347575
  H      -7.777662     -4.309472      7.324117
  H      -7.902489     -5.824176      8.254845
  H      -8.370360     -6.340614      4.059012
  H      -9.075706     -4.940396      4.864339
  H      -8.121871     -4.707967      2.132977
  H      -7.110798     -3.257804      2.351980
  H      -8.702079     -3.380732      3.162336
  H      -7.464353     -2.855074      5.358256
  H      -6.120486     -3.913785      5.894913
  H      -5.920027     -2.821851      4.492926
  H      -4.556759     -5.693369      9.137197
  H      -3.121759     -4.504040      9.157162
  H      -4.065956     -6.977555      6.026915
  H      -3.016713     -8.056623      6.967717
  H      -4.593186     -7.541041      7.632926
  H      -1.191405     -4.983805      7.801681
  H      -1.136820     -6.463577      6.837251
  H       0.194642     -5.290159      5.151901
  H       0.127547     -3.796905      6.109352
  H      -0.401745     -3.785082      4.404004
  H      -3.606003     -3.591793      6.360439
  H      -2.076817     -2.850945      6.894446
  H      -2.545096     -2.740382      5.182903
83
Coordinates from ORCA-job orca E -5365.998032290114
  N      -3.509952     -3.459362      2.018049
  C      -3.158961     -4.249140      0.824245
  C      -2.738083     -5.648400      1.245925
  N      -3.645238     -6.146372      2.322705
  C      -4.962557     -6.582597      1.774233
  C      -6.045126     -6.516528      2.850364
  N      -5.888333     -5.292771      3.629145
  Mo     -4.046240     -4.522702      3.615088
  N      -2.583614     -5.362234      4.681431
  C      -1.992547     -6.566812      4.109555
  C      -3.000358     -7.200591      3.155573
  H      -1.740466     -7.320887      4.880120
  H      -1.044395     -6.357580      3.572445
  H      -3.803261     -7.677841      3.733585
  H      -2.523902     -7.965834      2.514399
  H      -7.020007     -6.573091      2.331377
  H      -5.994626     -7.418748      3.492679
  H      -5.214018     -5.878984      0.969034
  H      -4.872865     -7.595607      1.340537
  H      -2.314816     -3.811975      0.259312
  H      -4.002748     -4.302352      0.106320
  H      -1.729816     -5.608471      1.680712
  H      -2.723541     -6.351313      0.392324
  C      -1.280471      0.490531      0.758850
  C      -1.454932     -0.191092      1.902718
  C      -1.226324      0.457916      3.241549
  C      -1.844959     -1.649230      1.919268
  C      -3.371012     -1.993930      1.823300
  C      -3.952283     -1.538972      0.474594
  C      -4.148482     -1.273745      2.924109
  C      -7.202917     -7.309009      6.227186
  C      -7.795291     -6.112368      6.109385
  C      -8.201990     -5.326591      7.327856
  C      -8.145746     -5.526070      4.763316
  C      -7.101899     -4.588732      4.070314
  C      -7.807670     -3.941656      2.859249
  C      -6.631020     -3.485071      5.021429
  C      -3.608716     -5.369933      8.704656
  C      -3.063270     -6.016933      7.662481
  C      -3.726887     -7.217943      7.051618
  C      -1.753025     -5.576852      7.061821
  C      -1.834973     -4.706966      5.763451
  C      -0.391987     -4.379264      5.333192
  C      -2.562694     -3.396833      6.072208
  H      -1.006423      1.547755      0.761598
  H      -1.403404      0.012074     -0.214966
  H      -2.101177      0.349563      3.900726
  H      -0.992100      1.526526      3.143075
  H      -0.387472     -0.034314      3.762137
  H      -1.491362     -2.115494      2.853148
  H      -1.338791     -2.166988      1.089523
  H      -3.917311     -0.444189      0.391365
  H      -5.001952     -1.860761      0.396851
  H      -3.399468     -1.953304     -0.379596
  H      -5.218035     -1.517130      2.848438
  H      -3.798230     -1.567744      3.924880
  H      -4.037221     -0.184221      2.824744
  H      -6.936624     -7.905739      5.352925
  H      -6.966189     -7.732108      7.205253
  H      -9.297035     -5.196175      7.350717
  H      -7.769958     -4.315234      7.326037
  H      -7.894930     -5.832010      8.253427
  H      -8.370041     -6.339825      4.057197
  H      -9.075331     -4.941645      4.866287
  H      -8.122906     -4.705788      2.132953
  H      -7.113368     -3.254595      2.354003
  H      -8.704210     -3.380568      3.164328
  H      -7.467842     -2.858053      5.362781
  H      -6.118960     -3.912928      5.893814
  H      -5.924856     -2.817728      4.494277
  H      -4.558823     -5.690716      9.137902
  H      -3.123874     -4.501296      9.155901
  H      -4.067829     -6.982376      6.031470
  H      -3.019044     -8.059562      6.974951
  H      -4.595122     -7.541407      7.639000
  H      -1.192062     -4.986171      7.802710
  H      -1.139236     -6.466331      6.838574
  H       0.194081     -5.292406      5.154469
  H       0.125981     -3.798337      6.110563
  H      -0.402853     -3.788150      4.405072
  H      -3.607017     -3.593005      6.360693
  H      -2.078295     -2.852521      6.896035
  H      -2.544870     -2.742387      5.183814
83
Coordinates from ORCA-job orca E -5365.998034246669
  N      -3.507123     -3.458304      2.019466
  C      -3.156409     -4.247837      0.825416
  C      -2.736758     -5.647585      1.246795
  N      -3.645248     -6.145266      2.322600
  C      -4.962693     -6.579892      1.773179
  C      -6.045190     -6.514258      2.849181
  N      -5.888206     -5.290723      3.628558
  Mo     -4.045439     -4.521796      3.615358
  N      -2.584679     -5.363343      4.682735
  C      -1.994423     -6.568229      4.110798
  C      -3.002130     -7.200326      3.155662
  H      -1.744195     -7.323200      4.881142
  H      -1.045294     -6.359789      3.575102
  H      -3.805891     -7.676722      3.733176
  H      -2.526220     -7.965963      2.514549
  H      -7.020153     -6.570744      2.330377
  H      -5.994417     -7.416465      3.491416
  H      -5.213219     -5.874794      0.968970
  H      -4.873695     -7.592371      1.338113
  H      -2.311955     -3.811001      0.260675
  H      -4.000281     -4.300224      0.107551
  H      -1.728811     -5.608708      1.682401
  H      -2.722035     -6.350127      0.392889
  C      -1.278791      0.488007      0.751257
  C      -1.454059     -0.188796      1.897843
  C      -1.226206      0.465912      3.234001
  C      -1.843925     -1.646926      1.920069
  C      -3.369626     -1.992785      1.824577
  C      -3.951878     -1.538726      0.475912
  C      -4.147512     -1.273317      2.925503
  C      -7.203941     -7.314372      6.222508
  C      -7.793358     -6.115938      6.107827
  C      -8.195614     -5.331469      7.328622
  C      -8.145142     -5.526624      4.763413
  C      -7.102129     -4.587888      4.071121
  C      -7.808617     -3.940138      2.860867
  C      -6.632103     -3.484870      5.023325
  C      -3.611831     -5.368255      8.704165
  C      -3.065657     -6.017447      7.663712
  C      -3.729041     -7.219779      7.055068
  C      -1.754882     -5.578794      7.063097
  C      -1.835969     -4.708560      5.764734
  C      -0.392708     -4.381489      5.335026
  C      -2.563071     -3.398055      6.073413
  H      -1.004530      1.545170      0.749766
  H      -1.401343      0.005600     -0.220649
  H      -2.102059      0.361987      3.892573
  H      -0.990398      1.533744      3.130966
  H      -0.388763     -0.025054      3.758005
  H      -1.490487     -2.109362      2.855942
  H      -1.337229     -2.167824      1.092617
  H      -3.919040     -0.443900      0.392609
  H      -5.000895     -1.862607      0.398186
  H      -3.398206     -1.952024     -0.378229
  H      -5.216900     -1.517367      2.849370
  H      -3.797157     -1.567463      3.926186
  H      -4.037130     -0.183674      2.826688
  H      -6.941203     -7.910624      5.346879
  H      -6.966492     -7.739482      7.199515
  H      -9.290308     -5.198566      7.353952
  H      -7.761186     -4.321171      7.328100
  H      -7.887965     -5.839669      8.252470
  H      -8.369996     -6.338967      4.055849
  H      -9.074639     -4.942451      4.868517
  H      -8.123209     -4.703517      2.133538
  H      -7.114999     -3.251708      2.356573
  H      -8.705622     -3.380188      3.166774
  H      -7.470286     -2.861635      5.368231
  H      -6.116901     -3.913264      5.893645
  H      -5.928745     -2.814420      4.496651
  H      -4.562418     -5.688146      9.137032
  H      -3.127476     -4.498711      9.154130
  H      -4.069529     -6.986454      6.034252
  H      -3.021440     -8.061808      6.980493
  H      -4.597612     -7.541717      7.642860
  H      -1.193048     -4.988884      7.803918
  H      -1.142395     -6.469052      6.839501
  H       0.193474     -5.294728      5.157224
  H       0.124680     -3.800125      6.112455
  H      -0.402958     -3.790837      4.406610
  H      -3.607623     -3.593669      6.361309
  H      -2.078949     -2.853762      6.897361
  H      -2.544671     -2.743917      5.184746
