91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.366548473982
  N      -3.305056     -3.612263      2.253863
  C      -2.886477     -4.555800      1.229242
  C      -2.604955     -5.975486      1.795654
  N      -3.628922     -6.355175      2.776676
  C      -4.875708     -6.797346      2.131206
  C      -6.089324     -6.511155      3.031493
  N      -5.969033     -5.169224      3.585895
  Mo     -4.097655     -4.549419      3.874003
  N      -3.151985     -5.488029      5.442202
  C      -2.398746     -6.611457      4.947057
  C      -3.139181     -7.314394      3.777023
  H      -2.213179     -7.377303      5.726110
  H      -1.385054     -6.306837      4.587612
  H      -4.009835     -7.821085      4.204147
  H      -2.481572     -8.071523      3.332317
  H      -6.997944     -6.627042      2.425199
  H      -6.140298     -7.268459      3.839569
  H      -4.994403     -6.195029      1.229656
  H      -4.839295     -7.858565      1.859320
  H      -1.997757     -4.217809      0.687656
  H      -3.699561     -4.623421      0.493700
  H      -1.639521     -5.963543      2.315861
  H      -2.544029     -6.702106      0.975484
  C      -0.343870     -3.593797      3.824009
  N      -1.715624     -3.140572      3.980322
  C      -2.398050     -2.609472      2.734634
  C      -1.449042     -1.940199      1.721283
  C      -2.177426     -1.293878      0.564679
  C      -3.305584     -0.504661      0.762756
  C      -3.918819      0.129332     -0.306128
  C      -3.408390     -0.009367     -1.586601
  C      -2.287484     -0.794614     -1.795008
  C      -1.679999     -1.433126     -0.726573
  C      -6.642606     -6.196126      6.672361
  N      -6.233078     -5.009270      5.942800
  C      -6.892562     -4.771485      4.618737
  C      -8.324570     -5.309799      4.466801
  C      -9.371824     -4.665775      5.351387
  C     -10.679609     -5.138649      5.251823
  C     -11.695102     -4.592738      6.014921
  C     -11.419797     -3.559868      6.897448
  C     -10.125280     -3.084475      7.007912
  C      -9.105913     -3.631807      6.239520
  C      -3.904956     -4.589882      8.497890
  N      -3.631715     -3.965804      7.217760
  C      -2.562072     -4.542832      6.388848
  C      -1.337158     -5.015356      7.178364
  C      -0.665953     -3.916757      7.974318
  C      -0.009224     -4.245240      9.158014
  C       0.670590     -3.288750      9.892061
  C       0.702818     -1.975405      9.453259
  C       0.048958     -1.632498      8.282069
  C      -0.627979     -2.593971      7.544309
  H      -0.195774     -4.298194      2.991457
  H      -0.035117     -4.089822      4.748755
  H       0.325493     -2.744326      3.674473
  H      -2.325291     -3.975480      3.981945
  H      -3.022451     -1.794535      3.123533
  H      -0.710472     -2.649818      1.339577
  H      -0.900344     -1.171168      2.280358
  H      -3.707727     -0.382456      1.768181
  H      -4.789227      0.740259     -0.124622
  H      -3.880846      0.498412     -2.411500
  H      -1.876576     -0.906432     -2.785305
  H      -0.798232     -2.035316     -0.888799
  H      -6.029345     -6.266128      7.573835
  H      -7.683932     -6.114661      6.986865
  H      -6.521193     -7.134006      6.108695
  H      -5.298058     -5.178757      5.548977
  H      -6.965780     -3.671519      4.539253
  H      -8.601596     -5.133241      3.421717
  H      -8.336050     -6.391691      4.628148
  H     -10.890395     -5.941356      4.561807
  H     -12.699455     -4.972435      5.918727
  H     -12.204805     -3.127033      7.495551
  H      -9.887616     -2.282071      7.689937
  H      -8.090075     -3.249104      6.349053
  H      -3.135950     -4.336486      9.231810
  H      -3.974210     -5.690078      8.446324
  H      -4.859095     -4.204185      8.864044
  H      -4.405375     -4.223821      6.630716
  H      -2.254018     -3.706345      5.794827
  H      -0.601233     -5.418894      6.466556
  H      -1.592267     -5.842928      7.854012
  H      -0.032213     -5.271073      9.495872
  H       1.176794     -3.573478     10.800381
  H       1.233351     -1.223398     10.014013
  H       0.061489     -0.615139      7.922150
  H      -1.133329     -2.298784      6.621575
  N      -4.802249     -3.079205      5.244739
  H      -5.139329     -2.375849      5.900505
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.408988854085
  N      -3.331086     -3.577385      2.185603
  C      -2.868575     -4.542567      1.191533
  C      -2.546158     -5.930554      1.802739
  N      -3.576754     -6.315762      2.787521
  C      -4.810272     -6.815800      2.138287
  C      -6.038770     -6.543912      3.020616
  N      -5.964411     -5.178624      3.539682
  Mo     -4.115869     -4.490449      3.826108
  N      -3.169124     -5.377040      5.449345
  C      -2.377473     -6.497684      4.979184
  C      -3.074632     -7.235940      3.820094
  H      -2.199008     -7.254451      5.768828
  H      -1.362888     -6.177277      4.645499
  H      -3.943004     -7.754841      4.244390
  H      -2.391470     -7.988774      3.400170
  H      -6.940210     -6.705681      2.409082
  H      -6.073885     -7.280912      3.848132
  H      -4.936788     -6.242308      1.214723
  H      -4.737100     -7.885698      1.895537
  H      -1.983036     -4.190911      0.647675
  H      -3.670585     -4.663021      0.446089
  H      -1.586902     -5.874238      2.334580
  H      -2.452350     -6.682671      1.003327
  C      -0.372545     -3.402456      3.780070
  N      -1.765751     -2.989867      3.907609
  C      -2.458496     -2.525877      2.639748
  C      -1.521275     -1.865564      1.613504
  C      -2.252974     -1.284041      0.423911
  C      -3.411568     -0.518450      0.575954
  C      -4.031425      0.056794     -0.528824
  C      -3.498666     -0.117190     -1.802501
  C      -2.347357     -0.879097     -1.966165
  C      -1.733138     -1.458698     -0.860458
  C      -6.677416     -6.170069      6.658920
  N      -6.284207     -4.982159      5.907367
  C      -6.922918     -4.783041      4.565205
  C      -8.332784     -5.359472      4.429072
  C      -9.346449     -4.697167      5.335348
  C     -10.670951     -5.146889      5.291600
  C     -11.648300     -4.567629      6.090286
  C     -11.315407     -3.526355      6.953503
  C     -10.001582     -3.076849      7.010319
  C      -9.020658     -3.656370      6.206343
  C      -3.919606     -4.575841      8.591510
  N      -3.612244     -3.888152      7.346278
  C      -2.571022     -4.466437      6.461857
  C      -1.383810     -5.044268      7.236362
  C      -0.671194     -4.027630      8.102853
  C      -0.047440     -4.454932      9.279164
  C       0.669580     -3.571163     10.077667
  C       0.772958     -2.232872      9.712041
  C       0.152065     -1.792810      8.548195
  C      -0.561764     -2.681284      7.746938
  H      -0.183868     -4.132222      2.972982
  H      -0.054251     -3.854345      4.726939
  H       0.266011     -2.530248      3.606774
  H      -2.339871     -3.848750      3.933964
  H      -3.116005     -1.719589      2.997318
  H      -0.754813     -2.567130      1.263651
  H      -1.000299     -1.059551      2.150945
  H      -3.832644     -0.368454      1.570685
  H      -4.927598      0.651179     -0.382819
  H      -3.978026      0.345327     -2.658527
  H      -1.918173     -1.018651     -2.952772
  H      -0.827008     -2.044278     -0.989208
  H      -6.078320     -6.205871      7.575657
  H      -7.729895     -6.108499      6.954038
  H      -6.522679     -7.121351      6.119268
  H      -5.335367     -5.129427      5.532574
  H      -7.026750     -3.689342      4.464279
  H      -8.626047     -5.206490      3.381247
  H      -8.338697     -6.442349      4.609760
  H     -10.927689     -5.957607      4.615792
  H     -12.670158     -4.928433      6.037703
  H     -12.072754     -3.068343      7.580436
  H      -9.720782     -2.270169      7.680472
  H      -7.986104     -3.300755      6.278526
  H      -3.133395     -4.417526      9.339756
  H      -4.064561     -5.667936      8.478522
  H      -4.854742     -4.144422      8.976821
  H      -4.419979     -4.054173      6.759725
  H      -2.212234     -3.604766      5.917424
  H      -0.657609     -5.443740      6.510579
  H      -1.690312     -5.896879      7.860455
  H      -0.125975     -5.501336      9.561747
  H       1.149791     -3.931797     10.981303
  H       1.333754     -1.535933     10.325511
  H       0.220377     -0.752537      8.245577
  H      -1.038294     -2.311993      6.836184
  N      -4.836103     -3.006584      5.067716
  H      -5.195547     -2.282549      5.689637
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.439798647747
  N      -3.342301     -3.550195      2.160412
  C      -2.865829     -4.530781      1.177273
  C      -2.520344     -5.900867      1.806912
  N      -3.551602     -6.288825      2.802824
  C      -4.786733     -6.815423      2.159156
  C      -6.012302     -6.547484      3.040919
  N      -5.952933     -5.169198      3.541095
  Mo     -4.115090     -4.448559      3.815310
  N      -3.165931     -5.310686      5.448549
  C      -2.355509     -6.439872      4.996523
  C      -3.039626     -7.194125      3.853488
  H      -2.181284     -7.189639      5.793532
  H      -1.342429     -6.117010      4.671249
  H      -3.908942     -7.714710      4.280169
  H      -2.350466     -7.949924      3.441654
  H      -6.914920     -6.729227      2.432579
  H      -6.038480     -7.273029      3.878407
  H      -4.919991     -6.257035      1.223727
  H      -4.698232     -7.890042      1.930125
  H      -1.985029     -4.172805      0.625421
  H      -3.666405     -4.678067      0.431499
  H      -1.561128     -5.825321      2.339130
  H      -2.416689     -6.667850      1.018334
  C      -0.363570     -3.288131      3.747246
  N      -1.769010     -2.895586      3.867466
  C      -2.479899     -2.470190      2.592208
  C      -1.555129     -1.822261      1.551921
  C      -2.290771     -1.277605      0.347192
  C      -3.463327     -0.519510      0.475891
  C      -4.089811      0.020967     -0.648131
  C      -3.551456     -0.180231     -1.921217
  C      -2.386365     -0.934663     -2.062817
  C      -1.765530     -1.479046     -0.936420
  C      -6.697738     -6.151893      6.685257
  N      -6.307816     -4.961277      5.925029
  C      -6.932483     -4.775198      4.568368
  C      -8.329772     -5.371904      4.428057
  C      -9.349924     -4.711459      5.333333
  C     -10.678747     -5.163195      5.290603
  C     -11.661243     -4.582754      6.091319
  C     -11.329521     -3.537444      6.957827
  C     -10.011257     -3.086012      7.015871
  C      -9.025287     -3.665800      6.210180
  C      -3.926094     -4.568494      8.599988
  N      -3.592685     -3.831255      7.382483
  C      -2.557888     -4.419619      6.490002
  C      -1.402530     -5.058299      7.265072
  C      -0.664017     -4.092472      8.168264
  C      -0.072403     -4.573913      9.345533
  C       0.668117     -3.735099     10.179394
  C       0.827960     -2.387980      9.848902
  C       0.239128     -1.894476      8.683592
  C      -0.497785     -2.737959      7.848341
  H      -0.153247     -4.033385      2.955116
  H      -0.036410     -3.713467      4.706097
  H       0.256070     -2.403134      3.555122
  H      -2.316859     -3.766980      3.913401
  H      -3.153165     -1.669353      2.938321
  H      -0.777445     -2.522414      1.215464
  H      -1.042136     -0.997058      2.071390
  H      -3.890667     -0.348117      1.465132
  H      -4.998157      0.610376     -0.520640
  H      -4.037054      0.254743     -2.794832
  H      -1.952288     -1.096065     -3.049943
  H      -0.848402     -2.060354     -1.049469
  H      -6.108347     -6.172819      7.611528
  H      -7.757066     -6.097981      6.968343
  H      -6.528000     -7.111331      6.158833
  H      -5.349608     -5.100940      5.564671
  H      -7.047440     -3.685689      4.455548
  H      -8.621485     -5.229249      3.375213
  H      -8.332674     -6.457189      4.613571
  H     -10.937815     -5.978280      4.612147
  H     -12.687894     -4.946268      6.038211
  H     -12.092578     -3.079108      7.587121
  H      -9.733312     -2.276600      7.691711
  H      -7.990833     -3.312432      6.288906
  H      -3.134487     -4.471808      9.357083
  H      -4.114603     -5.651743      8.445587
  H      -4.848918     -4.116960      8.998763
  H      -4.420786     -3.928350      6.788200
  H      -2.160493     -3.548041      5.965668
  H      -0.679706     -5.465726      6.540025
  H      -1.750076     -5.915269      7.863108
  H      -0.194879     -5.627835      9.603144
  H       1.122722     -4.137312     11.085210
  H       1.407658     -1.725772     10.492157
  H       0.352052     -0.844985      8.409733
  H      -0.947603     -2.328990      6.941990
  N      -4.792298     -2.992006      4.941424
  H      -5.156028     -2.258529      5.550969
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.461243007258
  N      -3.347840     -3.525528      2.148003
  C      -2.869458     -4.519646      1.172772
  C      -2.509193     -5.879372      1.811497
  N      -3.537081     -6.268754      2.817291
  C      -4.777249     -6.807915      2.183706
  C      -5.994890     -6.538216      3.071548
  N      -5.939717     -5.151538      3.558304
  Mo     -4.108341     -4.412138      3.815883
  N      -3.155245     -5.261208      5.443245
  C      -2.336147     -6.399484      5.003193
  C      -3.018300     -7.166766      3.876321
  H      -2.164013     -7.140554      5.807782
  H      -1.324928     -6.077435      4.678705
  H      -3.888284     -7.685713      4.306060
  H      -2.330942     -7.926857      3.466148
  H      -6.901278     -6.729778      2.470055
  H      -6.014778     -7.255569      3.915823
  H      -4.916395     -6.259988      1.241608
  H      -4.681996     -7.884879      1.962589
  H      -1.994182     -4.159210      0.612046
  H      -3.671483     -4.682716      0.430668
  H      -1.548675     -5.794920      2.340988
  H      -2.404409     -6.655989      1.030714
  C      -0.341973     -3.196957      3.710725
  N      -1.754599     -2.819064      3.832729
  C      -2.487480     -2.424990      2.556404
  C      -1.575479     -1.792807      1.499721
  C      -2.316663     -1.276742      0.286670
  C      -3.494370     -0.521060      0.401560
  C      -4.128494     -0.008894     -0.732796
  C      -3.594263     -0.236291     -2.005217
  C      -2.424240     -0.988387     -2.133931
  C      -1.795771     -1.503812     -0.996143
  C      -6.717489     -6.133565      6.711481
  N      -6.319886     -4.940830      5.954330
  C      -6.930291     -4.758007      4.587990
  C      -8.320353     -5.364489      4.437282
  C      -9.354944     -4.714220      5.336582
  C     -10.683016     -5.170239      5.276177
  C     -11.679180     -4.600050      6.070322
  C     -11.362507     -3.559774      6.950420
  C     -10.044913     -3.104479      7.028077
  C      -9.045784     -3.673586      6.228955
  C      -3.917763     -4.584327      8.591933
  N      -3.570818     -3.802637      7.401468
  C      -2.539802     -4.386940      6.503901
  C      -1.408002     -5.062411      7.281851
  C      -0.658476     -4.134098      8.215050
  C      -0.096508     -4.654829      9.391642
  C       0.652985     -3.851691     10.254884
  C       0.852191     -2.501005      9.955450
  C       0.293098     -1.968313      8.790541
  C      -0.452740     -2.776122      7.926827
  H      -0.120472     -3.953841      2.930876
  H      -0.005294     -3.600469      4.676728
  H       0.263235     -2.304903      3.499952
  H      -2.280196     -3.701241      3.898393
  H      -3.169305     -1.628471      2.896991
  H      -0.794036     -2.494342      1.171347
  H      -1.062720     -0.954495      1.999915
  H      -3.920830     -0.329309      1.387637
  H      -5.041467      0.578944     -0.616857
  H      -4.086412      0.175474     -2.888575
  H      -1.993355     -1.170843     -3.120802
  H      -0.875153     -2.084682     -1.100523
  H      -6.140392     -6.151520      7.646126
  H      -7.781561     -6.079871      6.980811
  H      -6.541055     -7.096509      6.191633
  H      -5.355403     -5.079873      5.611420
  H      -7.047211     -3.670479      4.468423
  H      -8.607407     -5.223033      3.381643
  H      -8.321579     -6.451250      4.620384
  H     -10.933392     -5.982033      4.587442
  H     -12.705325     -4.967877      6.001841
  H     -12.137030     -3.110134      7.575133
  H      -9.780274     -2.299777      7.717422
  H      -8.013872     -3.321449      6.328448
  H      -3.123313     -4.530363      9.351286
  H      -4.128105     -5.657757      8.400083
  H      -4.833444     -4.131743      9.006817
  H      -4.407913     -3.846962      6.807496
  H      -2.118029     -3.510044      5.995804
  H      -0.683705     -5.472293      6.560699
  H      -1.784282     -5.921821      7.858695
  H      -0.249733     -5.711671      9.627458
  H       1.083542     -4.283966     11.160786
  H       1.438787     -1.866979     10.623384
  H       0.437426     -0.914485      8.542735
  H      -0.879307     -2.337290      7.023683
  N      -4.726499     -2.990129      4.834548
  H      -5.085873     -2.247578      5.433945
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.474271480581
  N      -3.347775     -3.498041      2.149435
  C      -2.880211     -4.504114      1.178653
  C      -2.510241     -5.860264      1.817800
  N      -3.529249     -6.252021      2.833584
  C      -4.778671     -6.790689      2.215368
  C      -5.982478     -6.516366      3.117536
  N      -5.922812     -5.125675      3.597633
  Mo     -4.093156     -4.376035      3.832084
  N      -3.126962     -5.225815      5.436882
  C      -2.310292     -6.373278      5.001068
  C      -3.003790     -7.149915      3.891524
  H      -2.136449     -7.104072      5.813745
  H      -1.302063     -6.056206      4.666657
  H      -3.872955     -7.664858      4.327972
  H      -2.325707     -7.915633      3.475151
  H      -6.896255     -6.709066      2.526982
  H      -5.995938     -7.230393      3.964463
  H      -4.925487     -6.247960      1.271167
  H      -4.684689     -7.868578      1.995421
  H      -2.011754     -4.144809      0.606226
  H      -3.687906     -4.673900      0.444059
  H      -1.545972     -5.775131      2.340458
  H      -2.412354     -6.641812      1.040527
  C      -0.303328     -3.112840      3.665099
  N      -1.719611     -2.747946      3.800459
  C      -2.482650     -2.382179      2.529870
  C      -1.587153     -1.771176      1.449995
  C      -2.339856     -1.281115      0.234076
  C      -3.516050     -0.522725      0.343986
  C      -4.164030     -0.038573     -0.794094
  C      -3.646757     -0.297891     -2.067224
  C      -2.478448     -1.052894     -2.191471
  C      -1.835957     -1.539281     -1.049254
  C      -6.738930     -6.117862      6.749572
  N      -6.324206     -4.923333      6.004004
  C      -6.916770     -4.733120      4.628996
  C      -8.303588     -5.340649      4.454043
  C      -9.365309     -4.708287      5.335769
  C     -10.688177     -5.170176      5.232284
  C     -11.710219     -4.619128      6.006162
  C     -11.425783     -3.591405      6.910837
  C     -10.113650     -3.130905      7.032499
  C      -9.089380     -3.681076      6.253397
  C      -3.904100     -4.616670      8.567627
  N      -3.536475     -3.793958      7.409074
  C      -2.505642     -4.368015      6.509709
  C      -1.393263     -5.068375      7.293145
  C      -0.642819     -4.168217      8.252808
  C      -0.110773     -4.717814      9.429691
  C       0.637270     -3.942890     10.319012
  C       0.865465     -2.591550     10.046449
  C       0.336595     -2.029955      8.881198
  C      -0.408134     -2.809539      7.992062
  H      -0.080431     -3.879241      2.894647
  H       0.048032     -3.497222      4.633963
  H       0.289723     -2.217286      3.433500
  H      -2.224914     -3.642140      3.889341
  H      -3.167220     -1.588124      2.870075
  H      -0.808571     -2.477979      1.125549
  H      -1.066272     -0.923084      1.925435
  H      -3.931898     -0.307116      1.329752
  H      -5.076471      0.551360     -0.683016
  H      -4.150575      0.090045     -2.954911
  H      -2.061134     -1.261181     -3.179224
  H      -0.917571     -2.124565     -1.151410
  H      -6.178179     -6.141453      7.693906
  H      -7.807008     -6.059375      7.001610
  H      -6.559906     -7.081067      6.231315
  H      -5.352765     -5.066990      5.685901
  H      -7.028168     -3.645213      4.507320
  H      -8.577598     -5.192171      3.395642
  H      -8.304233     -6.429090      4.626488
  H     -10.915909     -5.972562      4.524469
  H     -12.731655     -4.992302      5.902908
  H     -12.221089     -3.157175      7.520339
  H      -9.875221     -2.336786      7.743641
  H      -8.063069     -3.330375      6.391822
  H      -3.111680     -4.604531      9.330271
  H      -4.132896     -5.677167      8.333723
  H      -4.813242     -4.167762      8.997783
  H      -4.374780     -3.780070      6.815972
  H      -2.065171     -3.489675      6.014775
  H      -0.663585     -5.478429      6.578583
  H      -1.791696     -5.929415      7.851452
  H      -0.287460     -5.775177      9.646932
  H       1.043116     -4.397089     11.225770
  H       1.450184     -1.979735     10.736530
  H       0.503878     -0.974247      8.656328
  H      -0.812488     -2.347593      7.090351
  N      -4.652796     -2.960099      4.775806
  H      -4.997697     -2.203595      5.365549
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.484124333398
  N      -3.345195     -3.472675      2.162378
  C      -2.891031     -4.486099      1.193097
  C      -2.513752     -5.841639      1.827792
  N      -3.523031     -6.239285      2.850279
  C      -4.780690     -6.771598      2.245785
  C      -5.970955     -6.495949      3.163110
  N      -5.906245     -5.104944      3.643080
  Mo     -4.077538     -4.346680      3.857493
  N      -3.092877     -5.204299      5.431725
  C      -2.282194     -6.357975      4.996395
  C      -2.990954     -7.140670      3.902100
  H      -2.103289     -7.078179      5.816580
  H      -1.277828     -6.045472      4.647534
  H      -3.857683     -7.652830      4.345872
  H      -2.323236     -7.910309      3.475956
  H      -6.891754     -6.686230      2.582654
  H      -5.978212     -7.211204      4.008904
  H      -4.935080     -6.229549      1.302578
  H      -4.690024     -7.849162      2.021822
  H      -2.028978     -4.128388      0.609997
  H      -3.704679     -4.657951      0.465658
  H      -1.545763     -5.758182      2.343743
  H      -2.422938     -6.623964      1.050479
  C      -0.263141     -3.034175      3.625025
  N      -1.682121     -2.684687      3.777780
  C      -2.475704     -2.344650      2.515997
  C      -1.597372     -1.754842      1.412409
  C      -2.363912     -1.289165      0.196061
  C      -3.536981     -0.527320      0.304960
  C      -4.201582     -0.070333     -0.833613
  C      -3.705383     -0.362031     -2.107296
  C      -2.540320     -1.120789     -2.230706
  C      -1.880922     -1.578906     -1.087617
  C      -6.771159     -6.115888      6.781977
  N      -6.331548     -4.919046      6.055153
  C      -6.901049     -4.714560      4.672684
  C      -8.286632     -5.316173      4.466639
  C      -9.374215     -4.699262      5.326715
  C     -10.692098     -5.159263      5.174587
  C     -11.737759     -4.622915      5.925166
  C     -11.483013     -3.611553      6.855642
  C     -10.176172     -3.153701      7.025811
  C      -9.128875     -3.689777      6.269739
  C      -3.889028     -4.650035      8.539357
  N      -3.496585     -3.794479      7.413269
  C      -2.468634     -4.360132      6.512440
  C      -1.370310     -5.078067      7.299753
  C      -0.622701     -4.197513      8.279521
  C      -0.114962     -4.766398      9.457013
  C       0.627945     -4.011134     10.365979
  C       0.875508     -2.660269     10.113250
  C       0.371256     -2.079416      8.947419
  C      -0.368823     -2.839327      8.039134
  H      -0.041193     -3.807380      2.861388
  H       0.105058     -3.401996      4.594013
  H       0.317825     -2.135629      3.374518
  H      -2.166205     -3.590820      3.889399
  H      -3.161775     -1.553020      2.857441
  H      -0.823172     -2.467532      1.091055
  H      -1.066958     -0.898704      1.862310
  H      -3.938600     -0.288163      1.291248
  H      -5.112173      0.522072     -0.724222
  H      -4.223162      0.002385     -2.996338
  H      -2.140015     -1.355285     -3.219140
  H      -0.966326     -2.169475     -1.189981
  H      -6.232502     -6.150813      7.738432
  H      -7.843657     -6.050122      7.011120
  H      -6.589642     -7.077058      6.261718
  H      -5.351659     -5.068596      5.769908
  H      -7.002851     -3.624948      4.553324
  H      -8.543858     -5.156265      3.405894
  H      -8.289481     -6.406395      4.624958
  H     -10.898262     -5.948852      4.446564
  H     -12.754578     -4.994844      5.783746
  H     -12.297268     -3.189119      7.447257
  H      -9.961748     -2.373114      7.758702
  H      -8.107196     -3.346624      6.448133
  H      -3.100297     -4.679585      9.304444
  H      -4.137660     -5.695536      8.264670
  H      -4.790159     -4.202940      8.984457
  H      -4.331495     -3.717361      6.822902
  H      -2.013814     -3.483031      6.026866
  H      -0.635443     -5.487310      6.590535
  H      -1.783927     -5.940567      7.843552
  H      -0.308047     -5.823217      9.660664
  H       1.013345     -4.479711     11.273813
  H       1.455086     -2.063818     10.820153
  H       0.553542     -1.023083      8.739786
  H      -0.756048     -2.361431      7.138158
  N      -4.595864     -2.903496      4.762295
  H      -4.922909     -2.129428      5.340055
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.492439171936
  N      -3.341776     -3.455610      2.185808
  C      -2.898148     -4.469342      1.213332
  C      -2.515208     -5.825858      1.838704
  N      -3.516945     -6.234783      2.862992
  C      -4.780191     -6.758013      2.266721
  C      -5.960674     -6.486995      3.196497
  N      -5.893416     -5.098912      3.683545
  Mo     -4.066877     -4.332898      3.886882
  N      -3.062558     -5.202010      5.426099
  C      -2.255797     -6.357592      4.988431
  C      -2.977955     -7.142296      3.904848
  H      -2.069297     -7.069065      5.813523
  H      -1.256061     -6.045340      4.625972
  H      -3.841052     -7.655226      4.353932
  H      -2.318197     -7.912192      3.466636
  H      -6.886318     -6.672899      2.622480
  H      -5.963006     -7.208090      4.037319
  H      -4.940625     -6.211702      1.327105
  H      -4.692266     -7.834076      2.033561
  H      -2.040916     -4.111445      0.623045
  H      -3.716103     -4.639764      0.490195
  H      -1.544661     -5.744538      2.350440
  H      -2.427975     -6.604533      1.057270
  C      -0.228206     -2.967914      3.600940
  N      -1.650508     -2.637360      3.770522
  C      -2.471075     -2.318453      2.518827
  C      -1.607868     -1.745189      1.395909
  C      -2.387058     -1.299013      0.180424
  C      -3.557629     -0.534308      0.290748
  C      -4.237951     -0.099032     -0.846582
  C      -3.760836     -0.416998     -2.120923
  C      -2.598297     -1.178923     -2.245761
  C      -1.922945     -1.614446     -1.103704
  C      -6.816253     -6.140066      6.796357
  N      -6.346623     -4.938263      6.096097
  C      -6.888992     -4.711290      4.709285
  C      -8.276316     -5.297686      4.471443
  C      -9.380235     -4.685736      5.311947
  C     -10.697507     -5.130414      5.117844
  C     -11.756867     -4.595708      5.849224
  C     -11.517150     -3.601199      6.801656
  C     -10.211186     -3.158978      7.012768
  C      -9.150497     -3.694159      6.275830
  C      -3.873612     -4.682952      8.519659
  N      -3.461850     -3.808278      7.417101
  C      -2.439320     -4.364877      6.513297
  C      -1.343360     -5.088010      7.300122
  C      -0.602911     -4.214567      8.291521
  C      -0.105493     -4.791332      9.469158
  C       0.629417     -4.042467     10.389353
  C       0.879093     -2.690291     10.147971
  C       0.385254     -2.101662      8.981910
  C      -0.347177     -2.855146      8.062870
  H      -0.005447     -3.744293      2.840947
  H       0.155466     -3.323436      4.568731
  H       0.340575     -2.065261      3.337036
  H      -2.109246     -3.553662      3.900577
  H      -3.159736     -1.530922      2.863212
  H      -0.837205     -2.462563      1.077186
  H      -1.069708     -0.883049      1.824611
  H      -3.945699     -0.276428      1.277839
  H      -5.147005      0.495378     -0.736853
  H      -4.291644     -0.071552     -3.009616
  H      -2.213431     -1.434588     -3.234882
  H      -1.011495     -2.209393     -1.207668
  H      -6.304247     -6.192144      7.766642
  H      -7.893463     -6.066493      6.998483
  H      -6.631098     -7.096741      6.269637
  H      -5.358102     -5.094257      5.850076
  H      -6.977141     -3.619089      4.597615
  H      -8.516146     -5.123300      3.409097
  H      -8.288128     -6.389829      4.614284
  H     -10.892959     -5.906343      4.372566
  H     -12.772856     -4.955585      5.675749
  H     -12.342706     -3.180231      7.378050
  H     -10.009443     -2.391953      7.763141
  H      -8.129253     -3.367422      6.485190
  H      -3.087771     -4.742175      9.285627
  H      -4.137603     -5.716772      8.216913
  H      -4.767929     -4.236151      8.977022
  H      -4.292043     -3.678061      6.831407
  H      -1.979028     -3.487840      6.032332
  H      -0.603516     -5.491022      6.592331
  H      -1.759085     -5.954777      7.834850
  H      -0.301263     -5.848954      9.665175
  H       1.005780     -4.516605     11.297871
  H       1.451372     -2.098832     10.864645
  H       0.568952     -1.043780      8.784575
  H      -0.728346     -2.370593      7.162761
  N      -4.552741     -2.854076      4.767059
  H      -4.859989     -2.059165      5.327697
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.499277541303
  N      -3.337249     -3.444043      2.211649
  C      -2.901868     -4.453985      1.233126
  C      -2.512331     -5.809853      1.849435
  N      -3.507491     -6.230542      2.874173
  C      -4.774226     -6.746258      2.283652
  C      -5.947337     -6.483948      3.224167
  N      -5.880180     -5.100126      3.720613
  Mo     -4.057633     -4.325080      3.916492
  N      -3.030727     -5.203574      5.420819
  C      -2.225405     -6.358186      4.980332
  C      -2.959486     -7.142968      3.905325
  H      -2.029552     -7.062560      5.808549
  H      -1.230917     -6.043021      4.605719
  H      -3.817563     -7.658625      4.360448
  H      -2.305316     -7.910845      3.455018
  H      -6.876690     -6.666735      2.655232
  H      -5.943505     -7.212369      4.058746
  H      -4.941070     -6.194180      1.348573
  H      -4.687922     -7.820432      2.040195
  H      -2.049414     -4.095422      0.636306
  H      -3.723899     -4.622762      0.513788
  H      -1.539828     -5.728192      2.357766
  H      -2.425553     -6.583988      1.063187
  C      -0.197157     -2.902911      3.579459
  N      -1.623654     -2.595883      3.765862
  C      -2.469012     -2.298219      2.524918
  C      -1.621142     -1.738192      1.384078
  C      -2.414485     -1.311211      0.170787
  C      -3.584593     -0.546159      0.284520
  C      -4.282286     -0.131945     -0.850335
  C      -3.823628     -0.472855     -2.125678
  C      -2.661600     -1.235383     -2.253842
  C      -1.968632     -1.649231     -1.114135
  C      -6.854138     -6.172013      6.807334
  N      -6.359505     -4.965459      6.130996
  C      -6.876669     -4.714224      4.742566
  C      -8.267987     -5.280890      4.475586
  C      -9.384552     -4.666174      5.296268
  C     -10.702239     -5.092280      5.065174
  C     -11.771920     -4.552005      5.777310
  C     -11.542925     -3.569981      6.745801
  C     -10.237160     -3.145501      6.992323
  C      -9.166152     -3.687000      6.274956
  C      -3.867908     -4.724064      8.497357
  N      -3.431469     -3.827659      7.424069
  C      -2.412460     -4.371138      6.517057
  C      -1.314552     -5.097522      7.299639
  C      -0.583764     -4.229494      8.302862
  C      -0.091545     -4.813501      9.479163
  C       0.633958     -4.068439     10.410214
  C       0.879035     -2.713180     10.181009
  C       0.390347     -2.117484      9.016124
  C      -0.332960     -2.867037      8.086679
  H       0.028376     -3.681108      2.822142
  H       0.202351     -3.246351      4.545383
  H       0.356859     -1.994619      3.303652
  H      -2.054170     -3.520753      3.914220
  H      -3.161340     -1.515185      2.871662
  H      -0.852358     -2.458462      1.068006
  H      -1.078112     -0.869745      1.793313
  H      -3.958945     -0.272280      1.272657
  H      -5.191113      0.462460     -0.738496
  H      -4.368592     -0.145567     -3.012715
  H      -2.291683     -1.509379     -3.243797
  H      -1.058783     -2.246223     -1.220879
  H      -6.365965     -6.238336      7.789432
  H      -7.935058     -6.093247      6.985510
  H      -6.663396     -7.124182      6.274684
  H      -5.363392     -5.126068      5.924524
  H      -6.950350     -3.619624      4.640473
  H      -8.488921     -5.093830      3.411353
  H      -8.292098     -6.374527      4.604963
  H     -10.890013     -5.857766      4.307209
  H     -12.787822     -4.897553      5.576182
  H     -12.377085     -3.144724      7.306483
  H     -10.044665     -2.387828      7.754543
  H      -8.145484     -3.376108      6.508878
  H      -3.089294     -4.817124      9.267512
  H      -4.146275     -5.744263      8.161621
  H      -4.757191     -4.278222      8.964451
  H      -4.251949     -3.645108      6.839454
  H      -1.950772     -3.491552      6.042304
  H      -0.569732     -5.488880      6.590153
  H      -1.726996     -5.972272      7.823822
  H      -0.284460     -5.873275      9.666307
  H       1.005627     -4.547667     11.318015
  H       1.443080     -2.124723     10.906686
  H       0.570167     -1.057017      8.829240
  H      -0.711751     -2.376789      7.188612
  N      -4.515412     -2.818287      4.773825
  H      -4.800678     -1.998941      5.310242
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.505119182556
  N      -3.331411     -3.437306      2.237147
  C      -2.903895     -4.441658      1.250789
  C      -2.508503     -5.796247      1.859338
  N      -3.498399     -6.225808      2.884020
  C      -4.767662     -6.734960      2.297404
  C      -5.935280     -6.482396      3.246908
  N      -5.868797     -5.103435      3.753257
  Mo     -4.050627     -4.319981      3.944697
  N      -2.998122     -5.205924      5.416088
  C      -2.194569     -6.359252      4.972250
  C      -2.941289     -7.142585      3.905088
  H      -1.989082     -7.058402      5.801943
  H      -1.205266     -6.041513      4.585790
  H      -3.794044     -7.660472      4.367633
  H      -2.292226     -7.908332      3.443345
  H      -6.867585     -6.662808      2.681967
  H      -5.925266     -7.218313      4.075131
  H      -4.940261     -6.176662      1.367116
  H      -4.683104     -7.807287      2.043992
  H      -2.055976     -4.083155      0.647749
  H      -3.730087     -4.607954      0.535164
  H      -1.534677     -5.713260      2.365014
  H      -2.420790     -6.566512      1.069036
  C      -0.168359     -2.839301      3.559487
  N      -1.599686     -2.559302      3.761667
  C      -2.467387     -2.282882      2.531011
  C      -1.633875     -1.733197      1.373858
  C      -2.441000     -1.324183      0.163217
  C      -3.611723     -0.560379      0.280653
  C      -4.326124     -0.166081     -0.851422
  C      -3.884040     -0.526915     -2.127563
  C      -2.721460     -1.288291     -2.259329
  C      -2.011519     -1.681812     -1.122336
  C      -6.897253     -6.203247      6.815024
  N      -6.376894     -4.994228      6.160824
  C      -6.867246     -4.718510      4.771372
  C      -8.262778     -5.264418      4.476462
  C      -9.388702     -4.645858      5.280780
  C     -10.707310     -5.051753      5.016292
  C     -11.784516     -4.505260      5.712636
  C     -11.562750     -3.536948      6.697065
  C     -10.256658     -3.131739      6.975596
  C      -9.178001     -3.680006      6.274465
  C      -3.860912     -4.767700      8.473871
  N      -3.401049     -3.846792      7.432512
  C      -2.385630     -4.376464      6.521718
  C      -1.284178     -5.104526      7.299206
  C      -0.564327     -4.241113      8.314417
  C      -0.077198     -4.831559      9.489653
  C       0.637815     -4.089412     10.431675
  C       0.877161     -2.731028     10.214374
  C       0.393551     -2.128998      9.050352
  C      -0.319582     -2.875399      8.110380
  H       0.062320     -3.618267      2.804478
  H       0.247182     -3.170110      4.523279
  H       0.367991     -1.923704      3.272644
  H      -2.002317     -3.492047      3.928925
  H      -3.163412     -1.503355      2.878566
  H      -0.865618     -2.454826      1.060437
  H      -1.088335     -0.858441      1.766082
  H      -3.973457     -0.272759      1.269754
  H      -5.235450      0.427049     -0.736972
  H      -4.442595     -0.216580     -3.012514
  H      -2.364947     -1.578105     -3.249916
  H      -1.102329     -2.279281     -1.231895
  H      -6.432622     -6.282639      7.808148
  H      -7.981586     -6.117525      6.969437
  H      -6.701828     -7.151751      6.277435
  H      -5.373536     -5.157784      5.993443
  H      -6.926289     -3.621760      4.680399
  H      -8.463742     -5.064298      3.410392
  H      -8.300268     -6.359446      4.592332
  H     -10.889692     -5.805977      4.245677
  H     -12.800839     -4.835103      5.486616
  H     -12.403188     -3.106927      7.244797
  H     -10.070398     -2.384222      7.749436
  H      -8.157726     -3.385197      6.530081
  H      -3.090280     -4.895159      9.248300
  H      -4.150170     -5.773704      8.103373
  H      -4.746617     -4.325293      8.950180
  H      -4.209599     -3.612939      6.847112
  H      -1.925360     -3.493324      6.052515
  H      -0.534619     -5.482608      6.587276
  H      -1.691692     -5.988111      7.812678
  H      -0.266235     -5.893597      9.667847
  H       1.004983     -4.573258     11.338864
  H       1.432284     -2.144835     10.948835
  H       0.568557     -1.066004      8.873196
  H      -0.695707     -2.380068      7.214016
  N      -4.483832     -2.792051      4.781346
  H      -4.743792     -1.944326      5.287680
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5017.594776869737
  N      -3.306207     -3.425665      2.284230
  C      -2.897466     -4.421403      1.284160
  C      -2.501233     -5.775580      1.879056
  N      -3.487548     -6.209067      2.901782
  C      -4.758254     -6.701897      2.313042
  C      -5.918643     -6.460006      3.269115
  N      -5.846362     -5.092105      3.796925
  Mo     -4.032619     -4.302381      3.996354
  N      -2.953953     -5.208067      5.420292
  C      -2.160138     -6.363761      4.969135
  C      -2.925917     -7.137463      3.908539
  H      -1.948342     -7.060470      5.797846
  H      -1.174856     -6.048777      4.570190
  H      -3.775794     -7.654124      4.377360
  H      -2.287346     -7.903456      3.431723
  H      -6.853176     -6.628673      2.705321
  H      -5.908011     -7.209416      4.084873
  H      -4.931353     -6.130935      1.391250
  H      -4.679917     -7.770828      2.042648
  H      -2.055118     -4.065448      0.672175
  H      -3.731327     -4.578932      0.575606
  H      -1.525245     -5.698282      2.380763
  H      -2.418387     -6.540526      1.082718
  C      -0.108940     -2.763747      3.529614
  N      -1.542418     -2.511576      3.761877
  C      -2.442627     -2.262164      2.548587
  C      -1.644643     -1.726135      1.357764
  C      -2.483723     -1.347335      0.157407
  C      -3.656526     -0.589248      0.287205
  C      -4.403102     -0.225194     -0.836004
  C      -3.991699     -0.611874     -2.115277
  C      -2.827458     -1.368118     -2.259232
  C      -2.085310     -1.731126     -1.131101
  C      -6.978590     -6.266717      6.810310
  N      -6.415990     -5.047344      6.205524
  C      -6.854102     -4.720937      4.809799
  C      -8.253094     -5.235154      4.462006
  C      -9.393458     -4.618290      5.246527
  C     -10.712362     -4.993198      4.929441
  C     -11.800655     -4.443576      5.606244
  C     -11.590494     -3.502712      6.621783
  C     -10.284730     -3.127768      6.951539
  C      -9.194872     -3.680119      6.270869
  C      -3.848648     -4.807298      8.453089
  N      -3.357390     -3.867767      7.447519
  C      -2.345484     -4.386392      6.536979
  C      -1.242635     -5.118175      7.309753
  C      -0.533401     -4.258094      8.332527
  C      -0.054710     -4.848443      9.509146
  C       0.649911     -4.105995     10.456469
  C       0.887526     -2.748271     10.242218
  C       0.412583     -2.146770      9.076086
  C      -0.290936     -2.892959      8.132111
  H       0.119425     -3.548593      2.780240
  H       0.332750     -3.074324      4.490285
  H       0.406303     -1.842412      3.219282
  H      -1.917583     -3.450016      3.960462
  H      -3.140585     -1.485459      2.898173
  H      -0.878154     -2.447320      1.041241
  H      -1.094019     -0.839748      1.718946
  H      -3.994275     -0.282886      1.279401
  H      -5.313580      0.363776     -0.712369
  H      -4.575414     -0.326100     -2.993197
  H      -2.495102     -1.678225     -3.252229
  H      -1.175537     -2.325647     -1.250045
  H      -6.557921     -6.373009      7.823778
  H      -8.070194     -6.174510      6.919967
  H      -6.768674     -7.204340      6.258706
  H      -5.401864     -5.212356      6.103632
  H      -6.893726     -3.620883      4.747074
  H      -8.420592     -5.004650      3.394990
  H      -8.310872     -6.333083      4.547420
  H     -10.886135     -5.725089      4.134111
  H     -12.816770     -4.749096      5.340463
  H     -12.440117     -3.070186      7.153360
  H     -10.108293     -2.401186      7.748879
  H      -8.175702     -3.410300      6.562751
  H      -3.089662     -4.972101      9.229902
  H      -4.152243     -5.794149      8.049074
  H      -4.729582     -4.365254      8.936687
  H      -4.147143     -3.578282      6.866075
  H      -1.883458     -3.501221      6.073898
  H      -0.488481     -5.486085      6.597148
  H      -1.647438     -6.007726      7.813630
  H      -0.242577     -5.909998      9.685024
  H       1.009973     -4.589162     11.365409
  H       1.434391     -2.162156     10.980733
  H       0.586425     -1.084698      8.900782
  H      -0.661275     -2.397960      7.234577
  N      -4.437029     -2.750043      4.801734
  H      -4.673385     -1.865619      5.257188
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5811.433953265599
  N      -3.304389     -3.424310      2.286824
  C      -2.896649     -4.419971      1.286503
  C      -2.500791     -5.774007      1.881159
  N      -3.487045     -6.206808      2.904038
  C      -4.757839     -6.698742      2.315163
  C      -5.918179     -6.456735      3.270764
  N      -5.845371     -5.089322      3.799256
  Mo     -4.031113     -4.299849      3.999623
  N      -2.952016     -5.206118      5.422357
  C      -2.158965     -6.362175      4.971033
  C      -2.925525     -7.135493      3.910680
  H      -1.947157     -7.058875      5.799731
  H      -1.173712     -6.047691      4.571642
  H      -3.775467     -7.651776      4.379795
  H      -2.287427     -7.901742      3.433646
  H      -6.852500     -6.624735      2.706433
  H      -5.908325     -7.206464      4.086239
  H      -4.930399     -6.127331      1.393564
  H      -4.680131     -7.767627      2.044411
  H      -2.054514     -4.064360      0.674047
  H      -3.730909     -4.577182      0.578343
  H      -1.524592     -5.697178      2.382512
  H      -2.418545     -6.539024      1.084820
  C      -0.105245     -2.761830      3.527958
  N      -1.538422     -2.509586      3.761720
  C      -2.439995     -2.261067      2.549369
  C      -1.644308     -1.726511      1.356248
  C      -2.485669     -1.349020      0.157088
  C      -3.658112     -0.590611      0.288161
  C      -4.406783     -0.227936     -0.834095
  C      -3.997883     -0.616352     -2.113644
  C      -2.834033     -1.372923     -2.258854
  C      -2.089782     -1.734546     -1.131683
  C      -6.988936     -6.270962      6.807198
  N      -6.423169     -5.050216      6.208237
  C      -6.855412     -4.720400      4.811153
  C      -8.253270     -5.234443      4.459011
  C      -9.394821     -4.618847      5.242644
  C     -10.713319     -4.992439      4.922560
  C     -11.802409     -4.443611      5.598711
  C     -11.593419     -3.504943      6.616539
  C     -10.288040     -3.131350      6.949283
  C      -9.197337     -3.682865      6.269308
  C      -3.848219     -4.803998      8.454138
  N      -3.354875     -3.865402      7.449062
  C      -2.343078     -4.384783      6.538863
  C      -1.240377     -5.117667      7.310715
  C      -0.529599     -4.258824      8.333209
  C      -0.050551     -4.850073      9.509243
  C       0.655867     -4.108789     10.456376
  C       0.895055     -2.751198     10.242491
  C       0.419681     -2.148382      9.076690
  C      -0.285757     -2.893933      8.133148
  H       0.122333     -3.547284      2.778997
  H       0.337415     -3.071503      4.488569
  H       0.409571     -1.840739      3.216315
  H      -1.913868     -3.447982      3.961721
  H      -3.137239     -1.483759      2.899069
  H      -0.878566     -2.448185      1.039079
  H      -1.092822     -0.839813      1.715321
  H      -3.993907     -0.282940      1.280605
  H      -5.316944      0.361296     -0.709468
  H      -4.583245     -0.331675     -2.990801
  H      -2.503627     -1.684388     -3.252067
  H      -1.180335     -2.329361     -1.251592
  H      -6.573377     -6.379723      7.822538
  H      -8.081099     -6.178929      6.911579
  H      -6.776283     -7.207242      6.254332
  H      -5.408851     -5.215347      6.112192
  H      -6.895118     -3.620259      4.750423
  H      -8.418277     -5.001987      3.392043
  H      -8.311260     -6.332531      4.542134
  H     -10.886119     -5.722596      4.125430
  H     -12.818226     -4.748028      5.330638
  H     -12.443685     -3.073064      7.147592
  H     -10.112547     -2.406517      7.748423
  H      -8.178375     -3.414229      6.563510
  H      -3.090180     -4.969867      9.231543
  H      -4.152898     -5.790353      8.049981
  H      -4.729025     -4.360478      8.936802
  H      -4.143657     -3.574679      6.867219
  H      -1.880595     -3.499843      6.075783
  H      -0.486909     -5.485806      6.597524
  H      -1.645631     -6.007132      7.814352
  H      -0.239481     -5.911485      9.684872
  H       1.016116     -4.592802     11.364788
  H       1.443344     -2.166080     10.980806
  H       0.594484     -1.086533      8.901173
  H      -0.656406     -2.398373      7.235919
  N      -4.434538     -2.746884      4.803983
  H      -4.669699     -1.861730      5.258302
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.505432241202
  N      -3.257526     -3.440939      2.257746
  C      -2.875466     -4.423122      1.234816
  C      -2.490230     -5.792013      1.799406
  N      -3.469266     -6.228653      2.826814
  C      -4.755875     -6.693972      2.248096
  C      -5.899940     -6.454013      3.226130
  N      -5.800827     -5.097912      3.774902
  Mo     -3.974872     -4.333143      3.961436
  N      -2.885884     -5.282855      5.348285
  C      -2.114333     -6.440260      4.870473
  C      -2.907210     -7.183029      3.808404
  H      -1.901751     -7.153761      5.684072
  H      -1.129783     -6.133008      4.463564
  H      -3.758242     -7.695121      4.280324
  H      -2.286901     -7.949853      3.309294
  H      -6.845183     -6.600476      2.674186
  H      -5.887347     -7.217536      4.028872
  H      -4.934791     -6.105116      1.339000
  H      -4.696458     -7.758716      1.958574
  H      -2.037189     -4.067741      0.617119
  H      -3.720944     -4.556831      0.535607
  H      -1.507136     -5.737059      2.288979
  H      -2.428341     -6.543632      0.989035
  C      -0.033130     -2.809816      3.524286
  N      -1.468243     -2.558346      3.734181
  C      -2.381855     -2.292735      2.529486
  C      -1.610077     -1.749186      1.325194
  C      -2.495558     -1.362988      0.159866
  C      -3.662352     -0.608722      0.345275
  C      -4.457456     -0.237010     -0.741014
  C      -4.102208     -0.612128     -2.039864
  C      -2.945005     -1.364174     -2.240302
  C      -2.153420     -1.735030     -1.148456
  C      -6.913872     -6.281488      6.799613
  N      -6.334380     -5.070219      6.197124
  C      -6.786013     -4.718800      4.812812
  C      -8.206305     -5.196510      4.499422
  C      -9.309187     -4.552278      5.319515
  C     -10.645327     -4.891604      5.047978
  C     -11.694981     -4.314945      5.761502
  C     -11.429125     -3.381500      6.768401
  C     -10.107591     -3.040448      7.052212
  C      -9.058360     -3.619845      6.335313
  C      -3.735194     -4.953561      8.387557
  N      -3.273352     -3.985390      7.392774
  C      -2.266343     -4.485311      6.468521
  C      -1.188348     -5.197860      7.289493
  C      -0.631336     -4.250201      8.309718
  C      -0.291565     -4.747687      9.575865
  C       0.204159     -3.928142     10.590201
  C       0.378196     -2.562144     10.370084
  C       0.068214     -2.004973      9.068414
  C      -0.433701     -2.892893      8.041717
  H       0.210968     -3.593561      2.777897
  H       0.386976     -3.116154      4.502526
  H       0.485727     -1.887709      3.226075
  H      -1.846184     -3.500936      3.925215
  H      -3.069880     -1.516628      2.899476
  H      -0.854535     -2.467771      0.979581
  H      -1.046326     -0.867262      1.675854
  H      -3.957480     -0.311780      1.353495
  H      -5.362166      0.348399     -0.572728
  H      -4.724207     -0.320813     -2.888960
  H      -2.656807     -1.665496     -3.249514
  H      -1.250028     -2.326980     -1.312356
  H      -6.481659     -6.405083      7.804564
  H      -7.999732     -6.166162      6.925754
  H      -6.732756     -7.218557      6.238690
  H      -5.329407     -5.254824      6.082866
  H      -6.802231     -3.617681      4.759523
  H      -8.399639     -4.957901      3.439844
  H      -8.285862     -6.292928      4.582301
  H     -10.864346     -5.617667      4.260377
  H     -12.725262     -4.593976      5.531010
  H     -12.247998     -2.928132      7.328240
  H      -9.885455     -2.319016      7.841494
  H      -8.029419     -3.373474      6.590840
  H      -2.961037     -5.121879      9.149676
  H      -4.027797     -5.938277      7.967291
  H      -4.610986     -4.537960      8.898851
  H      -4.070269     -3.688842      6.822399
  H      -1.805766     -3.595808      6.010867
  H      -0.378705     -5.587325      6.652815
  H      -1.615294     -6.073558      7.799752
  H      -0.450951     -5.806546      9.780337
  H       0.438894     -4.356856     11.566869
  H       0.754110     -1.921873     11.171188
  H       0.190421     -0.945152      8.844952
  H      -0.702327     -2.482527      7.064393
  N      -4.352833     -2.788398      4.796079
  H      -4.573850     -1.908064      5.263510
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.517958973170
  N      -3.252790     -3.426307      2.296838
  C      -2.879838     -4.409885      1.273941
  C      -2.491660     -5.770552      1.844258
  N      -3.468538     -6.198192      2.873695
  C      -4.751848     -6.664192      2.294421
  C      -5.894671     -6.427924      3.268537
  N      -5.798701     -5.074675      3.820358
  Mo     -3.979186     -4.291620      4.016512
  N      -2.864321     -5.236385      5.375214
  C      -2.096134     -6.397212      4.904799
  C      -2.899971     -7.148856      3.855999
  H      -1.875104     -7.099574      5.726966
  H      -1.115747     -6.092373      4.485991
  H      -3.746487     -7.658759      4.338414
  H      -2.283653     -7.918016      3.355301
  H      -6.838831     -6.575932      2.714340
  H      -5.881881     -7.192985      4.070304
  H      -4.930038     -6.075704      1.384751
  H      -4.691753     -7.729260      2.004071
  H      -2.046676     -4.059376      0.646988
  H      -3.730112     -4.546966      0.580077
  H      -1.507138     -5.712107      2.331445
  H      -2.431015     -6.528229      1.038570
  C      -0.007767     -2.702279      3.485188
  N      -1.445700     -2.485681      3.724028
  C      -2.380967     -2.262156      2.531756
  C      -1.641310     -1.733227      1.298431
  C      -2.542513     -1.381811      0.133374
  C      -3.716609     -0.634973      0.309719
  C      -4.524669     -0.297603     -0.779749
  C      -4.175396     -0.700889     -2.071891
  C      -3.011020     -1.446339     -2.262456
  C      -2.206899     -1.782471     -1.167670
  C      -7.011163     -6.323475      6.791684
  N      -6.409861     -5.100973      6.235698
  C      -6.804829     -4.716324      4.842722
  C      -8.213803     -5.187784      4.470593
  C      -9.344125     -4.559204      5.262044
  C     -10.669232     -4.896111      4.936727
  C     -11.744968     -4.333069      5.622552
  C     -11.516858     -3.415237      6.653999
  C     -10.205728     -3.075838      6.990469
  C      -9.129291     -3.642478      6.301593
  C      -3.763307     -4.861195      8.391651
  N      -3.238402     -3.920126      7.412968
  C      -2.234670     -4.442570      6.492710
  C      -1.142513     -5.195011      7.276737
  C      -0.510154     -4.306679      8.330565
  C      -0.191841     -4.852127      9.590440
  C       0.322501     -4.063033     10.630411
  C       0.535654     -2.692528     10.435861
  C       0.268774     -2.110637      9.152033
  C      -0.239919     -2.944252      8.109248
  H       0.238642     -3.500558      2.753441
  H       0.443594     -2.970212      4.460690
  H       0.480106     -1.771949      3.151412
  H      -1.798731     -3.430234      3.954213
  H      -3.074193     -1.485239      2.891773
  H      -0.880532     -2.450357      0.959345
  H      -1.083769     -0.835798      1.621196
  H      -4.006564     -0.316983      1.312898
  H      -5.435001      0.282609     -0.619261
  H      -4.807308     -0.436885     -2.923324
  H      -2.727581     -1.769746     -3.265933
  H      -1.298215     -2.369952     -1.323292
  H      -6.625118     -6.457921      7.815186
  H      -8.103534     -6.216184      6.869019
  H      -6.797064     -7.251328      6.224720
  H      -5.396733     -5.277876      6.190293
  H      -6.821042     -3.614697      4.812468
  H      -8.368406     -4.929647      3.408680
  H      -8.295097     -6.285340      4.529665
  H     -10.858460     -5.609713      4.129625
  H     -12.765777     -4.610233      5.351270
  H     -12.356737     -2.972310      7.191891
  H     -10.013769     -2.366231      7.798453
  H      -8.107631     -3.397985      6.595823
  H      -3.008809     -5.066947      9.163644
  H      -4.099459     -5.828610      7.968727
  H      -4.628682     -4.401289      8.886256
  H      -4.014638     -3.576326      6.842519
  H      -1.764376     -3.559514      6.035212
  H      -0.360601     -5.583604      6.606109
  H      -1.582490     -6.075334      7.770951
  H      -0.396362     -5.913650      9.775196
  H       0.534235     -4.517042     11.607316
  H       0.920649     -2.073391     11.255193
  H       0.431226     -1.049095      8.949986
  H      -0.482339     -2.489156      7.138138
  N      -4.346185     -2.723889      4.805975
  H      -4.553879     -1.816077      5.224359
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.524341845196
  N      -3.238138     -3.418064      2.331286
  C      -2.872065     -4.402897      1.303140
  C      -2.485179     -5.760695      1.878710
  N      -3.464814     -6.176015      2.912560
  C      -4.748154     -6.646981      2.331840
  C      -5.893986     -6.411198      3.303124
  N      -5.802043     -5.055216      3.859908
  Mo     -3.985449     -4.250132      4.068264
  N      -2.843185     -5.197792      5.403024
  C      -2.075266     -6.364472      4.936056
  C      -2.888603     -7.124634      3.897464
  H      -1.849634     -7.060259      5.762624
  H      -1.097250     -6.063049      4.510018
  H      -3.730730     -7.632039      4.390034
  H      -2.275686     -7.896012      3.396527
  H      -6.836616     -6.562128      2.746352
  H      -5.881292     -7.176345      4.105434
  H      -4.925461     -6.060235      1.420589
  H      -4.686322     -7.712672      2.042823
  H      -2.042735     -4.056821      0.669863
  H      -3.726407     -4.539397      0.613372
  H      -1.499933     -5.700017      2.365113
  H      -2.424902     -6.525350      1.079095
  C       0.019816     -2.603590      3.442304
  N      -1.417383     -2.421310      3.708017
  C      -2.369315     -2.238224      2.531196
  C      -1.659730     -1.721524      1.275927
  C      -2.571690     -1.398729      0.115779
  C      -3.751527     -0.658524      0.285888
  C      -4.565199     -0.346560     -0.802697
  C      -4.216601     -0.770154     -2.086856
  C      -3.046855     -1.510404     -2.270301
  C      -2.237293     -1.820570     -1.176626
  C      -7.101387     -6.372728      6.771898
  N      -6.488592     -5.139482      6.263176
  C      -6.832369     -4.718428      4.868659
  C      -8.230489     -5.174362      4.446651
  C      -9.374719     -4.554895      5.221203
  C     -10.692152     -4.873752      4.852365
  C     -11.782235     -4.317009      5.519835
  C     -11.575964     -3.423270      6.575904
  C     -10.271582     -3.101611      6.955888
  C      -9.179813     -3.662457      6.285843
  C      -3.790197     -4.854443      8.405320
  N      -3.217128     -3.897258      7.459807
  C      -2.212329     -4.415611      6.533261
  C      -1.110619     -5.189945      7.279574
  C      -0.441258     -4.343001      8.347055
  C      -0.105839     -4.908395      9.584228
  C       0.435759     -4.135931     10.621156
  C       0.656532     -2.769402     10.442185
  C       0.376220     -2.174551      9.192476
  C      -0.152171     -2.983837      8.166512
  H       0.272755     -3.410723      2.724849
  H       0.494176     -2.835002      4.410674
  H       0.474151     -1.669177      3.079389
  H      -1.747856     -3.359656      3.978002
  H      -3.066935     -1.458976      2.880940
  H      -0.892188     -2.434723      0.940504
  H      -1.112362     -0.812468      1.575510
  H      -4.039785     -0.324699      1.283356
  H      -5.479541      0.229621     -0.647784
  H      -4.852827     -0.526154     -2.937386
  H      -2.764072     -1.849880     -3.267165
  H      -1.324055     -2.403724     -1.325523
  H      -6.756176     -6.517040      7.806018
  H      -8.194353     -6.274615      6.806675
  H      -6.856053     -7.290582      6.200887
  H      -5.476387     -5.304654      6.283825
  H      -6.848353     -3.616939      4.865884
  H      -8.350930     -4.892218      3.387250
  H      -8.318593     -6.271307      4.479427
  H     -10.863733     -5.568110      4.025184
  H     -12.796793     -4.579919      5.214497
  H     -12.427130     -2.984904      7.099273
  H     -10.096899     -2.410911      7.783067
  H      -8.162220     -3.432618      6.614469
  H      -3.061215     -5.109122      9.191997
  H      -4.148566     -5.803483      7.944772
  H      -4.651437     -4.380280      8.895798
  H      -3.967592     -3.503963      6.883130
  H      -1.740027     -3.526386      6.087936
  H      -0.347485     -5.558982      6.578039
  H      -1.546040     -6.077684      7.758833
  H      -0.314459     -5.966686      9.756559
  H       0.663590     -4.598804     11.580243
  H       1.060057     -2.163637     11.256880
  H       0.543765     -1.117762      8.997224
  H      -0.403272     -2.511226      7.211120
  N      -4.344785     -2.669584      4.817551
  H      -4.539721     -1.740502      5.188308
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.528623114132
  N      -3.201726     -3.413342      2.369757
  C      -2.853053     -4.384638      1.330115
  C      -2.467998     -5.742212      1.896712
  N      -3.448593     -6.154792      2.925147
  C      -4.727735     -6.612496      2.337741
  C      -5.869169     -6.387910      3.312392
  N      -5.776131     -5.043740      3.888233
  Mo     -3.963598     -4.232862      4.106240
  N      -2.804822     -5.193693      5.406140
  C      -2.051716     -6.364938      4.932142
  C      -2.879725     -7.112342      3.899657
  H      -1.827626     -7.062538      5.754826
  H      -1.075317     -6.072306      4.497407
  H      -3.722904     -7.613496      4.396261
  H      -2.278032     -7.886713      3.389253
  H      -6.812509     -6.529631      2.756342
  H      -5.855011     -7.164160      4.103141
  H      -4.902365     -6.014625      1.433975
  H      -4.668291     -7.674343      2.035031
  H      -2.026583     -4.038926      0.693207
  H      -3.712802     -4.510441      0.645447
  H      -1.483319     -5.685447      2.383534
  H      -2.409530     -6.504349      1.094782
  C       0.071337     -2.556236      3.400497
  N      -1.362074     -2.395942      3.699559
  C      -2.339959     -2.227200      2.546499
  C      -1.666382     -1.715439      1.269058
  C      -2.616980     -1.421691      0.129895
  C      -3.799670     -0.693750      0.323104
  C      -4.657727     -0.418585     -0.748285
  C      -4.351246     -0.868232     -2.037540
  C      -3.177851     -1.594971     -2.243707
  C      -2.322914     -1.867172     -1.167281
  C      -7.157794     -6.434287      6.732893
  N      -6.514617     -5.193333      6.274923
  C      -6.813896     -4.719095      4.890960
  C      -8.213961     -5.132696      4.423410
  C      -9.372270     -4.518356      5.183028
  C     -10.683864     -4.809933      4.764961
  C     -11.787060     -4.258704      5.415861
  C     -11.599887     -3.397201      6.503947
  C     -10.302071     -3.101863      6.931828
  C      -9.197324     -3.657815      6.278943
  C      -3.774563     -4.874513      8.385098
  N      -3.190709     -3.903960      7.468709
  C      -2.189047     -4.413467      6.549664
  C      -1.101147     -5.182311      7.311070
  C      -0.436086     -4.345070      8.380079
  C      -0.134907     -4.911891      9.629329
  C       0.424975     -4.147439     10.660628
  C       0.699217     -2.790721     10.462477
  C       0.444038     -2.201712      9.206141
  C      -0.108234     -2.995355      8.186066
  H       0.320753     -3.364916      2.685335
  H       0.573928     -2.772311      4.358581
  H       0.501925     -1.618616      3.017710
  H      -1.670916     -3.330067      3.999455
  H      -3.039215     -1.450716      2.899837
  H      -0.898584     -2.421493      0.922737
  H      -1.120883     -0.794861      1.542762
  H      -4.056933     -0.342747      1.324929
  H      -5.574778      0.147055     -0.575833
  H      -5.024418     -0.655484     -2.874890
  H      -2.928034     -1.955797     -3.244925
  H      -1.408874     -2.442856     -1.333630
  H      -6.844815     -6.611090      7.773721
  H      -8.250867     -6.325097      6.739010
  H      -6.907822     -7.339481      6.145541
  H      -5.506171     -5.358172      6.344217
  H      -6.807568     -3.617384      4.924363
  H      -8.300454     -4.818063      3.368667
  H      -8.322507     -6.229401      4.421528
  H     -10.840019     -5.479307      3.912545
  H     -12.796875     -4.500746      5.072523
  H     -12.461197     -2.962879      7.014715
  H     -10.142770     -2.435581      7.784204
  H      -8.187137     -3.450274      6.643949
  H      -3.057392     -5.139812      9.166626
  H      -4.119267     -5.808722      7.906967
  H      -4.640099     -4.416113      8.879089
  H      -3.920527     -3.475446      6.897417
  H      -1.713059     -3.523106      6.108151
  H      -0.331399     -5.546527      6.615372
  H      -1.542157     -6.072256      7.785807
  H      -0.376726     -5.964929      9.811403
  H       0.629976     -4.610677     11.630259
  H       1.119207     -2.190064     11.273310
  H       0.654259     -1.149128      9.001367
  H      -0.330090     -2.524238      7.220433
  N      -4.306093     -2.636245      4.835623
  H      -4.484480     -1.683421      5.154890
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.500903277606
  N      -3.175697     -3.448936      2.371029
  C      -2.824436     -4.422136      1.342575
  C      -2.441576     -5.772709      1.942667
  N      -3.437237     -6.152749      2.967609
  C      -4.702038     -6.631900      2.367676
  C      -5.859409     -6.398691      3.323325
  N      -5.784958     -5.044723      3.881865
  Mo     -3.973871     -4.215379      4.109999
  N      -2.808008     -5.143583      5.445943
  C      -2.064725     -6.327228      4.989601
  C      -2.886958     -7.089202      3.968189
  H      -1.852498     -7.019476      5.820730
  H      -1.083972     -6.052486      4.554902
  H      -3.735356     -7.574902      4.471504
  H      -2.283311     -7.875160      3.480238
  H      -6.795489     -6.557606      2.759188
  H      -5.846397     -7.160534      4.128058
  H      -4.866373     -6.050019      1.450463
  H      -4.628459     -7.698572      2.087019
  H      -1.994482     -4.079253      0.709983
  H      -3.681834     -4.555404      0.654300
  H      -1.463091     -5.699361      2.441114
  H      -2.370507     -6.557284      1.163887
  C       0.066701     -2.533021      3.356447
  N      -1.363334     -2.401505      3.665109
  C      -2.335345     -2.249210      2.530046
  C      -1.676963     -1.714486      1.260396
  C      -2.645023     -1.426129      0.142087
  C      -3.839693     -0.726067      0.359008
  C      -4.709566     -0.447801     -0.695673
  C      -4.403761     -0.866751     -1.991087
  C      -3.219234     -1.567049     -2.220703
  C      -2.352232     -1.842986     -1.161308
  C      -7.179730     -6.459596      6.675552
  N      -6.554562     -5.212623      6.230264
  C      -6.840364     -4.719147      4.864037
  C      -8.233392     -5.118750      4.379188
  C      -9.402052     -4.515282      5.133297
  C     -10.701103     -4.815575      4.698174
  C     -11.821015     -4.284536      5.337654
  C     -11.661513     -3.432785      6.432326
  C     -10.376001     -3.127654      6.876248
  C      -9.253762     -3.664106      6.235956
  C      -3.819183     -4.783320      8.400470
  N      -3.203724     -3.809842      7.496203
  C      -2.206572     -4.348939      6.587182
  C      -1.138107     -5.124208      7.350889
  C      -0.403569     -4.343554      8.410300
  C      -0.114872     -4.940352      9.650592
  C       0.536251     -4.219669     10.657943
  C       0.913067     -2.888700     10.440476
  C       0.661643     -2.292737      9.213042
  C       0.020439     -3.018627      8.222237
  H       0.333524     -3.343447      2.650905
  H       0.591428     -2.720530      4.301317
  H       0.457481     -1.589168      2.956356
  H      -1.669479     -3.312937      3.996558
  H      -3.042512     -1.471081      2.871501
  H      -0.892857     -2.394828      0.896525
  H      -1.156011     -0.785122      1.540954
  H      -4.095902     -0.396695      1.365846
  H      -5.635327      0.097575     -0.504464
  H      -5.086845     -0.649307     -2.815329
  H      -2.969092     -1.903905     -3.227597
  H      -1.427948     -2.396161     -1.344668
  H      -6.866192     -6.639745      7.708886
  H      -8.268131     -6.358195      6.682560
  H      -6.923386     -7.361460      6.088048
  H      -5.553092     -5.339942      6.305094
  H      -6.831544     -3.618761      4.918094
  H      -8.299650     -4.796397      3.327921
  H      -8.344656     -6.212584      4.368537
  H     -10.832941     -5.479470      3.840002
  H     -12.820930     -4.535725      4.979942
  H     -12.534750     -3.012912      6.936449
  H     -10.237939     -2.468062      7.734771
  H      -8.256412     -3.448185      6.618840
  H      -3.115757     -5.072713      9.197763
  H      -4.173128     -5.718062      7.912008
  H      -4.686503     -4.300169      8.875154
  H      -3.921831     -3.348695      6.897771
  H      -1.720864     -3.466692      6.135827
  H      -0.394387     -5.497805      6.634922
  H      -1.597698     -6.004513      7.832185
  H      -0.425065     -5.978511      9.840291
  H       0.739574     -4.699913     11.623286
  H       1.407570     -2.319579     11.233223
  H       0.955478     -1.253913      9.001494
  H      -0.182803     -2.526067      7.262802
  N      -4.343656     -2.616740      4.824652
  H      -4.523824     -1.657134      5.116422
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.535081934780
  N      -3.149850     -3.474171      2.415456
  C      -2.812465     -4.432054      1.373770
  C      -2.423011     -5.781027      1.962198
  N      -3.415355     -6.168928      2.983437
  C      -4.678563     -6.641732      2.379173
  C      -5.833436     -6.421623      3.336766
  N      -5.758957     -5.078069      3.909192
  Mo     -3.954647     -4.240516      4.145045
  N      -2.769206     -5.171892      5.446748
  C      -2.024752     -6.349329      4.990560
  C      -2.859137     -7.109467      3.976101
  H      -1.802709     -7.037969      5.824090
  H      -1.047873     -6.069840      4.547041
  H      -3.703001     -7.596816      4.486008
  H      -2.260581     -7.894820      3.479100
  H      -6.770594     -6.574540      2.772729
  H      -5.818821     -7.193736      4.131585
  H      -4.845343     -6.051455      1.468053
  H      -4.603856     -7.705503      2.085632
  H      -1.986145     -4.085835      0.737690
  H      -3.673806     -4.559815      0.688734
  H      -1.444074     -5.703914      2.458983
  H      -2.349470     -6.561990      1.179783
  C       0.108960     -2.514215      3.331922
  N      -1.317760     -2.406931      3.667448
  C      -2.323223     -2.267139      2.556339
  C      -1.702614     -1.728015      1.265696
  C      -2.701305     -1.448987      0.171122
  C      -3.892341     -0.753413      0.420889
  C      -4.783650     -0.469591     -0.605037
  C      -4.505004     -0.879313     -1.905092
  C      -3.327221     -1.578451     -2.168532
  C      -2.438888     -1.860931     -1.137862
  C      -7.251811     -6.519070      6.646153
  N      -6.583167     -5.279552      6.238794
  C      -6.820285     -4.747897      4.880589
  C      -8.217755     -5.093262      4.355059
  C      -9.386102     -4.466311      5.089827
  C     -10.686328     -4.711395      4.617169
  C     -11.802657     -4.151782      5.238971
  C     -11.638373     -3.326226      6.352221
  C     -10.352403     -3.075933      6.832178
  C      -9.235022     -3.641375      6.209514
  C      -3.816861     -4.881520      8.390224
  N      -3.206859     -3.879903      7.518517
  C      -2.192699     -4.373884      6.597399
  C      -1.097603     -5.124659      7.359783
  C      -0.404880     -4.310195      8.414464
  C      -0.086792     -4.888883      9.646829
  C       0.559432     -4.155434     10.640208
  C       0.902700     -2.823679     10.419991
  C       0.608929     -2.235413      9.193743
  C      -0.037116     -2.979273      8.207221
  H       0.376892     -3.326685      2.625821
  H       0.659564     -2.687821      4.270814
  H       0.477214     -1.565471      2.916572
  H      -1.596318     -3.322526      4.026656
  H      -3.032969     -1.497233      2.909664
  H      -0.917644     -2.396652      0.883443
  H      -1.184521     -0.792590      1.530809
  H      -4.124855     -0.427495      1.432638
  H      -5.703690      0.075369     -0.387758
  H      -5.201404     -0.654348     -2.705431
  H      -3.098249     -1.906432     -3.179086
  H      -1.517395     -2.409948     -1.347357
  H      -6.975307     -6.726287      7.691139
  H      -8.343116     -6.391166      6.620285
  H      -6.997925     -7.417378      6.049472
  H      -5.577884     -5.416514      6.358079
  H      -6.779881     -3.648701      4.956060
  H      -8.250796     -4.749213      3.307681
  H      -8.362790     -6.183665      4.320844
  H     -10.822172     -5.353660      3.744162
  H     -12.803251     -4.360058      4.853106
  H     -12.508345     -2.884236      6.842097
  H     -10.210545     -2.436651      7.704048
  H      -8.239148     -3.467863      6.616876
  H      -3.116215     -5.183235      9.184937
  H      -4.148890     -5.804786      7.867141
  H      -4.693718     -4.434742      8.875664
  H      -3.910577     -3.406832      6.942374
  H      -1.736046     -3.481634      6.147437
  H      -0.341887     -5.470639      6.637081
  H      -1.516098     -6.024467      7.831753
  H      -0.358837     -5.928434      9.836175
  H       0.790351     -4.627112     11.593371
  H       1.397395     -2.246901     11.201854
  H       0.870983     -1.197023      8.983597
  H      -0.269767     -2.503163      7.255776
  N      -4.308072     -2.631617      4.846221
  H      -4.473051     -1.654377      5.085425
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.537116371022
  N      -3.117616     -3.450965      2.456537
  C      -2.789174     -4.394659      1.395900
  C      -2.395500     -5.747816      1.969259
  N      -3.387920     -6.142500      2.990568
  C      -4.650475     -6.615130      2.379111
  C      -5.806594     -6.409505      3.339173
  N      -5.732130     -5.071919      3.925512
  Mo     -3.932933     -4.223345      4.172762
  N      -2.733029     -5.161060      5.454355
  C      -1.994873     -6.342295      5.000319
  C      -2.835942     -7.093264      3.980176
  H      -1.777860     -7.032938      5.833388
  H      -1.013870     -6.068992      4.559959
  H      -3.683258     -7.573910      4.489357
  H      -2.244822     -7.883991      3.480946
  H      -6.744347     -6.557752      2.774561
  H      -5.791020     -7.191139      4.124848
  H      -4.820881     -6.015397      1.476180
  H      -4.570580     -7.675009      2.072649
  H      -1.964498     -4.040825      0.760632
  H      -3.652703     -4.516326      0.714171
  H      -1.417005     -5.667218      2.464385
  H      -2.320182     -6.523686      1.182767
  C       0.146499     -2.471804      3.310642
  N      -1.271809     -2.377107      3.678411
  C      -2.308320     -2.233939      2.591265
  C      -1.727072     -1.683720      1.280688
  C      -2.765895     -1.447589      0.200703
  C      -3.965162     -0.766929      0.463406
  C      -4.914968     -0.561751     -0.553974
  C      -4.687761     -1.037376     -1.857526
  C      -3.496946     -1.713154     -2.132942
  C      -2.547480     -1.911814     -1.111074
  C      -7.288885     -6.556655      6.605817
  N      -6.603732     -5.314690      6.239349
  C      -6.803481     -4.745719      4.887545
  C      -8.196108     -5.048792      4.311800
  C      -9.373414     -4.417423      5.025767
  C     -10.666410     -4.630895      4.511073
  C     -11.788707     -4.068014      5.117853
  C     -11.638576     -3.272222      6.259272
  C     -10.359893     -3.052728      6.779731
  C      -9.236883     -3.619842      6.169675
  C      -3.825618     -4.912474      8.369505
  N      -3.187161     -3.895152      7.531223
  C      -2.160470     -4.376298      6.617381
  C      -1.066026     -5.148681      7.389789
  C      -0.381533     -4.327869      8.456708
  C      -0.100100     -4.895720      9.707608
  C       0.562722     -4.169008     10.696962
  C       0.959623     -2.853727     10.452668
  C       0.689228     -2.277310      9.205529
  C       0.020742     -3.008133      8.217577
  H       0.402527     -3.279320      2.595584
  H       0.720892     -2.647867      4.234953
  H       0.502698     -1.521477      2.888158
  H      -1.536497     -3.297651      4.056943
  H      -3.019958     -1.476914      2.963322
  H      -0.939026     -2.340716      0.884664
  H      -1.220881     -0.730979      1.524166
  H      -4.165115     -0.398967      1.477456
  H      -5.844019     -0.033447     -0.327597
  H      -5.436048     -0.882708     -2.651651
  H      -3.308258     -2.094294     -3.146010
  H      -1.622316     -2.452080     -1.330474
  H      -7.029231     -6.792552      7.650529
  H      -8.380103     -6.419072      6.568246
  H      -7.035299     -7.441959      5.988592
  H      -5.592931     -5.447494      6.386533
  H      -6.738985     -3.649617      4.990315
  H      -8.191360     -4.679523      3.270741
  H      -8.364575     -6.136055      4.245651
  H     -10.791048     -5.250220      3.617695
  H     -12.782874     -4.250978      4.700546
  H     -12.513277     -2.829890      6.738348
  H     -10.229302     -2.436999      7.673083
  H      -8.246164     -3.471098      6.606771
  H      -3.139370     -5.234778      9.175406
  H      -4.153139     -5.825838      7.816402
  H      -4.709480     -4.476862      8.845860
  H      -3.875084     -3.402952      6.960186
  H      -1.697422     -3.475682      6.183133
  H      -0.304821     -5.491617      6.668117
  H      -1.486560     -6.058444      7.847459
  H      -0.405504     -5.923660      9.908971
  H       0.768337     -4.633135     11.661464
  H       1.470493     -2.282777     11.227922
  H       0.991851     -1.254512      8.987131
  H      -0.184509     -2.541227      7.253679
  N      -4.278986     -2.620782      4.887066
  H      -4.437157     -1.639531      5.103758
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.539870288995
  N      -3.087708     -3.487336      2.484457
  C      -2.769773     -4.432190      1.420095
  C      -2.380839     -5.782212      2.003278
  N      -3.379197     -6.164743      3.023341
  C      -4.638225     -6.642231      2.406769
  C      -5.797327     -6.432950      3.361563
  N      -5.724115     -5.093088      3.943040
  Mo     -3.929355     -4.233042      4.194607
  N      -2.718440     -5.155101      5.470878
  C      -1.989229     -6.349628      5.037471
  C      -2.836404     -7.108668      4.026296
  H      -1.775998     -7.027550      5.881720
  H      -1.006934     -6.090682      4.591748
  H      -3.687725     -7.574058      4.542460
  H      -2.253011     -7.911828      3.537673
  H      -6.734144     -6.584859      2.795859
  H      -5.783043     -7.211845      4.150372
  H      -4.805519     -6.047688      1.499626
  H      -4.555444     -7.703494      2.105628
  H      -1.943024     -4.085087      0.784482
  H      -3.633099     -4.551886      0.737754
  H      -1.405478     -5.694265      2.502682
  H      -2.300950     -6.566456      1.225097
  C       0.175424     -2.475761      3.258393
  N      -1.230708     -2.393254      3.660661
  C      -2.291675     -2.261091      2.600408
  C      -1.744802     -1.703850      1.277538
  C      -2.808776     -1.459999      0.232130
  C      -4.001287     -0.787048      0.537082
  C      -4.963954     -0.552153     -0.446208
  C      -4.755113     -0.987862     -1.757367
  C      -3.573400     -1.659192     -2.074629
  C      -2.613384     -1.891359     -1.086631
  C      -7.351708     -6.601568      6.558327
  N      -6.649341     -5.362004      6.230089
  C      -6.807547     -4.762169      4.890089
  C      -8.190188     -5.032653      4.276486
  C      -9.376472     -4.403409      4.974836
  C     -10.657007     -4.594927      4.426058
  C     -11.787501     -4.036955      5.020715
  C     -11.658474     -3.267676      6.184032
  C     -10.392237     -3.069219      6.737879
  C      -9.260596     -3.632001      6.139973
  C      -3.815463     -4.860759      8.354811
  N      -3.169704     -3.866177      7.525645
  C      -2.150511     -4.361668      6.625481
  C      -1.059866     -5.128844      7.399239
  C      -0.368606     -4.304405      8.458124
  C      -0.105815     -4.865281      9.717500
  C       0.585903     -4.148356     10.694396
  C       1.033190     -2.851718     10.424139
  C       0.773314     -2.285747      9.169617
  C       0.071726     -2.997294      8.194371
  H       0.421960     -3.287207      2.544347
  H       0.774910     -2.637297      4.168179
  H       0.511135     -1.527727      2.817068
  H      -1.475945     -3.301868      4.072180
  H      -3.000457     -1.508211      2.984068
  H      -0.960617     -2.348254      0.856028
  H      -1.241572     -0.752166      1.517012
  H      -4.183139     -0.444732      1.557209
  H      -5.885266     -0.027705     -0.186984
  H      -5.509476     -0.804556     -2.524690
  H      -3.397892     -2.007044     -3.093813
  H      -1.691893     -2.422337     -1.338767
  H      -7.116762     -6.859224      7.602291
  H      -8.439300     -6.451812      6.501349
  H      -7.095164     -7.478395      5.930320
  H      -5.647728     -5.490647      6.415699
  H      -6.724872     -3.670043      5.015835
  H      -8.154352     -4.645874      3.243462
  H      -8.371034     -6.116176      4.185171
  H     -10.765181     -5.194092      3.516198
  H     -12.771863     -4.203480      4.577805
  H     -12.540386     -2.829871      6.653781
  H     -10.278377     -2.474021      7.648245
  H      -8.280087     -3.500298      6.601653
  H      -3.136869     -5.169942      9.152810
  H      -4.131127     -5.767702      7.816325
  H      -4.704144     -4.423622      8.823046
  H      -3.850356     -3.350498      6.966881
  H      -1.684144     -3.466152      6.183938
  H      -0.301321     -5.480653      6.680709
  H      -1.484328     -6.034236      7.860301
  H      -0.447284     -5.882185      9.933192
  H       0.776859     -4.607251     11.668621
  H       1.571996     -2.288931     11.186783
  H       1.116189     -1.275455      8.939622
  H      -0.120368     -2.533593      7.224235
  N      -4.261299     -2.609982      4.883365
  H      -4.404194     -1.611323      5.039507
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.541268033978
  N      -3.064831     -3.504027      2.516419
  C      -2.756586     -4.440991      1.447705
  C      -2.368196     -5.790234      2.031010
  N      -3.367941     -6.170741      3.046442
  C      -4.621836     -6.650556      2.427321
  C      -5.782306     -6.446602      3.380463
  N      -5.713915     -5.109412      3.962227
  Mo     -3.924586     -4.238469      4.214521
  N      -2.701155     -5.149906      5.480885
  C      -1.975866     -6.345967      5.051164
  C      -2.827116     -7.109045      4.050408
  H      -1.760688     -7.017956      5.897439
  H      -0.995763     -6.090916      4.598644
  H      -3.678254     -7.568342      4.572695
  H      -2.248055     -7.915968      3.563953
  H      -6.718039     -6.600870      2.814646
  H      -5.765760     -7.226239      4.168080
  H      -4.788974     -6.055976      1.520041
  H      -4.533358     -7.710726      2.125630
  H      -1.929408     -4.094043      0.813155
  H      -3.621344     -4.554933      0.766668
  H      -1.395089     -5.698323      2.534127
  H      -2.284066     -6.575883      1.255706
  C       0.195275     -2.465342      3.222898
  N      -1.201103     -2.399016      3.656125
  C      -2.280785     -2.274098      2.622623
  C      -1.759987     -1.706799      1.296297
  C      -2.841514     -1.476761      0.269361
  C      -4.037807     -0.820124      0.594468
  C      -5.014909     -0.591065     -0.369726
  C      -4.816914     -1.015303     -1.681628
  C      -3.633517     -1.673472     -2.019228
  C      -2.660096     -1.902337     -1.050088
  C      -7.400212     -6.641839      6.508959
  N      -6.679955     -5.403621      6.221758
  C      -6.804603     -4.774609      4.897948
  C      -8.180237     -5.012606      4.262600
  C      -9.369982     -4.375332      4.946982
  C     -10.640569     -4.540387      4.371243
  C     -11.775098     -3.970340      4.946733
  C     -11.660267     -3.214565      6.117075
  C     -10.404214     -3.043164      6.698802
  C      -9.268161     -3.618951      6.120685
  C      -3.839884     -4.930916      8.323339
  N      -3.163185     -3.886170      7.552355
  C      -2.147273     -4.357104      6.642063
  C      -1.048632     -5.103924      7.400628
  C      -0.358453     -4.275325      8.452284
  C      -0.082469     -4.834727      9.704688
  C       0.627503     -4.121488     10.670009
  C       1.081335     -2.831384     10.390947
  C       0.803913     -2.267287      9.146469
  C       0.083254     -2.969999      8.185802
  H       0.437520     -3.277342      2.506548
  H       0.818737     -2.613353      4.118732
  H       0.507053     -1.514761      2.768582
  H      -1.426039     -3.296142      4.089853
  H      -2.988906     -1.527822      3.020038
  H      -0.969508     -2.335873      0.862503
  H      -1.271321     -0.748422      1.534103
  H      -4.210065     -0.484519      1.615613
  H      -5.937920     -0.077678     -0.094550
  H      -5.580787     -0.833568     -2.433911
  H      -3.466440     -2.011841     -3.039419
  H      -1.735997     -2.420885     -1.318208
  H      -7.188922     -6.926587      7.550551
  H      -8.484510     -6.477967      6.434542
  H      -7.144098     -7.507233      5.866465
  H      -5.691074     -5.527874      6.434032
  H      -6.703895     -3.687212      5.045620
  H      -8.119698     -4.615938      3.236168
  H      -8.374975     -6.091526      4.156454
  H     -10.737795     -5.127564      3.454217
  H     -12.752036     -4.115825      4.481408
  H     -12.546004     -2.766079      6.571001
  H     -10.301518     -2.458106      7.614317
  H      -8.296805     -3.505612      6.601201
  H      -3.175980     -5.308550      9.129856
  H      -4.168805     -5.814332      7.715741
  H      -4.727905     -4.497878      8.804659
  H      -3.827281     -3.306468      6.999487
  H      -1.694224     -3.452680      6.208326
  H      -0.292727     -5.441135      6.674931
  H      -1.455920     -6.014137      7.861031
  H      -0.427731     -5.849201      9.923288
  H       0.829207     -4.579726     11.641606
  H       1.640043     -2.272082     11.142264
  H       1.153948     -1.258267      8.914350
  H      -0.120952     -2.503706      7.220960
  N      -4.247440     -2.607441      4.895016
  H      -4.380865     -1.600336      5.003869
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.542133521258
  N      -3.044434     -3.523192      2.533326
  C      -2.732867     -4.453272      1.458553
  C      -2.345821     -5.807306      2.045074
  N      -3.353824     -6.181070      3.058592
  C      -4.600371     -6.677567      2.430314
  C      -5.774593     -6.477527      3.371516
  N      -5.716713     -5.134786      3.947604
  Mo     -3.930922     -4.249481      4.210838
  N      -2.701745     -5.139932      5.500257
  C      -1.975752     -6.340557      5.076161
  C      -2.820392     -7.110535      4.076034
  H      -1.770540     -7.013552      5.922348
  H      -0.990332     -6.093123      4.631800
  H      -3.677479     -7.558990      4.598685
  H      -2.240474     -7.924490      3.604287
  H      -6.703574     -6.639938      2.797250
  H      -5.762058     -7.251923      4.163667
  H      -4.764435     -6.085459      1.520613
  H      -4.496856     -7.737441      2.134508
  H      -1.901880     -4.098972      0.832897
  H      -3.596012     -4.564305      0.775986
  H      -1.376551     -5.708862      2.554833
  H      -2.254741     -6.596551      1.275903
  C       0.198361     -2.473623      3.200405
  N      -1.189047     -2.418670      3.657428
  C      -2.277568     -2.285831      2.649030
  C      -1.777724     -1.682414      1.334109
  C      -2.871124     -1.462494      0.320687
  C      -4.076874     -0.827189      0.657993
  C      -5.072897     -0.626155     -0.298492
  C      -4.886097     -1.058354     -1.614423
  C      -3.691489     -1.692043     -1.963867
  C      -2.697355     -1.890050     -1.002157
  C      -7.443586     -6.689728      6.432267
  N      -6.727182     -5.446353      6.180847
  C      -6.824368     -4.793781      4.867079
  C      -8.190626     -4.996570      4.213667
  C      -9.370472     -4.344894      4.898400
  C     -10.639372     -4.473806      4.311328
  C     -11.766392     -3.884912      4.882095
  C     -11.646093     -3.148262      6.060997
  C     -10.391472     -3.015237      6.656991
  C      -9.261838     -3.608168      6.082479
  C      -3.846737     -4.961314      8.366472
  N      -3.197696     -3.908017      7.586337
  C      -2.159350     -4.345632      6.668865
  C      -1.037526     -5.066703      7.406204
  C      -0.331693     -4.239211      8.451607
  C      -0.047697     -4.792627      9.698032
  C       0.693057     -4.088242     10.648100
  C       1.168061     -2.813672     10.355085
  C       0.877598     -2.252019      9.126036
  C       0.131004     -2.942721      8.189774
  H       0.435900     -3.278843      2.474092
  H       0.839758     -2.619236      4.078266
  H       0.490003     -1.518195      2.744974
  H      -1.413054     -3.305177      4.101773
  H      -2.987926     -1.553413      3.068952
  H      -0.978564     -2.289615      0.882578
  H      -1.311310     -0.718321      1.587617
  H      -4.244451     -0.488942      1.681943
  H      -6.004289     -0.131166     -0.013833
  H      -5.668516     -0.902608     -2.361039
  H      -3.533127     -2.038171     -2.987870
  H      -1.766811     -2.393392     -1.279740
  H      -7.237603     -6.999219      7.464871
  H      -8.525585     -6.524038      6.356626
  H      -7.186842     -7.539942      5.770836
  H      -5.743186     -5.548522      6.399472
  H      -6.706647     -3.712658      5.036567
  H      -8.105340     -4.588272      3.195030
  H      -8.407067     -6.068613      4.092076
  H     -10.740238     -5.045302      3.386379
  H     -12.742347     -3.999965      4.404685
  H     -12.526294     -2.685207      6.511692
  H     -10.284750     -2.446766      7.580055
  H      -8.291361     -3.523552      6.576592
  H      -3.202060     -5.294772      9.185390
  H      -4.114959     -5.857691      7.772766
  H      -4.762293     -4.566837      8.823762
  H      -3.862072     -3.383319      7.029737
  H      -1.732713     -3.425598      6.245042
  H      -0.291446     -5.380432      6.661743
  H      -1.416770     -5.983847      7.868001
  H      -0.404894     -5.797894      9.921987
  H       0.904911     -4.542286     11.613275
  H       1.754075     -2.261524     11.089699
  H       1.245825     -1.253381      8.887048
  H      -0.075474     -2.477365      7.227976
  N      -4.269579     -2.639240      4.908958
  H      -4.409647     -1.639007      5.020665
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.543755762880
  N      -3.015891     -3.522624      2.569463
  C      -2.718107     -4.449188      1.480981
  C      -2.329311     -5.806051      2.055136
  N      -3.334679     -6.188541      3.069675
  C      -4.583731     -6.678583      2.438613
  C      -5.753724     -6.486892      3.385276
  N      -5.690390     -5.149697      3.974177
  Mo     -3.908736     -4.256773      4.237224
  N      -2.664277     -5.148307      5.500757
  C      -1.948140     -6.359185      5.085157
  C      -2.802678     -7.125536      4.085356
  H      -1.742966     -7.025667      5.938779
  H      -0.962014     -6.120291      4.636118
  H      -3.662197     -7.565885      4.610366
  H      -2.232269     -7.946261      3.611351
  H      -6.685175     -6.643007      2.812180
  H      -5.740546     -7.270013      4.168900
  H      -4.751059     -6.077818      1.535629
  H      -4.481745     -7.735847      2.130800
  H      -1.889701     -4.094202      0.850224
  H      -3.586866     -4.554081      0.804215
  H      -1.358908     -5.709014      2.561946
  H      -2.240460     -6.589129      1.278378
  C       0.249323     -2.460545      3.166539
  N      -1.127023     -2.401895      3.658670
  C      -2.255181     -2.275941      2.673257
  C      -1.805701     -1.674861      1.328955
  C      -2.941810     -1.468208      0.353714
  C      -4.134514     -0.833994      0.732880
  C      -5.170957     -0.646044     -0.189215
  C      -5.037068     -1.090378     -1.512318
  C      -3.854912     -1.720751     -1.903047
  C      -2.820557     -1.905240     -0.975273
  C      -7.499099     -6.716051      6.415696
  N      -6.758489     -5.480126      6.197236
  C      -6.810384     -4.808927      4.883304
  C      -8.163680     -4.983415      4.181862
  C      -9.358009     -4.323411      4.835797
  C     -10.612889     -4.429150      4.209474
  C     -11.747215     -3.833555      4.759765
  C     -11.649721     -3.113514      5.955586
  C     -10.409619     -3.001346      6.588021
  C      -9.273236     -3.600759      6.033490
  C      -3.836787     -4.901858      8.324572
  N      -3.139944     -3.890170      7.563192
  C      -2.106606     -4.362748      6.667004
  C      -0.993784     -5.114603      7.427703
  C      -0.300238     -4.265716      8.471881
  C      -0.053780     -4.788068      9.747066
  C       0.674045     -4.067639     10.698611
  C       1.176172     -2.806025     10.378229
  C       0.919840     -2.269637      9.108918
  C       0.180413     -2.981451      8.166123
  H       0.462975     -3.270010      2.436093
  H       0.912016     -2.609466      4.033375
  H       0.540035     -1.508919      2.699171
  H      -1.331753     -3.294743      4.127195
  H      -2.959712     -1.554256      3.117132
  H      -1.027631     -2.286380      0.853233
  H      -1.325863     -0.705543      1.555822
  H      -4.261103     -0.486293      1.763093
  H      -6.090973     -0.152433      0.127348
  H      -5.850457     -0.945334     -2.231993
  H      -3.736074     -2.074931     -2.932701
  H      -1.899940     -2.405690     -1.285678
  H      -7.322662     -7.043082      7.452284
  H      -8.580537     -6.533396      6.316707
  H      -7.236020     -7.560998      5.745439
  H      -5.770781     -5.597604      6.458804
  H      -6.678601     -3.731590      5.068837
  H      -8.042329     -4.563573      3.168507
  H      -8.390463     -6.051540      4.035905
  H     -10.696608     -4.988167      3.273322
  H     -12.711387     -3.931098      4.255454
  H     -12.535899     -2.647014      6.389645
  H     -10.321358     -2.445058      7.523723
  H      -8.313350     -3.531825      6.550812
  H      -3.200280     -5.254581      9.142653
  H      -4.139869     -5.783694      7.737579
  H      -4.741752     -4.471408      8.766519
  H      -3.789440     -3.333531      7.025833
  H      -1.651554     -3.450870      6.241839
  H      -0.232369     -5.453536      6.707171
  H      -1.396960     -6.027414      7.894645
  H      -0.435769     -5.780489      9.992412
  H       0.851841     -4.496589     11.685169
  H       1.753665     -2.242669     11.111339
  H       1.306641     -1.283732      8.854770
  H      -0.003665     -2.541712      7.185144
  N      -4.220222     -2.634619      4.935289
  H      -4.350122     -1.627450      5.002777
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.545162183978
  N      -3.004517     -3.541622      2.570183
  C      -2.714417     -4.469619      1.482621
  C      -2.332782     -5.827793      2.059654
  N      -3.334383     -6.201668      3.079530
  C      -4.581928     -6.699604      2.455454
  C      -5.749266     -6.502795      3.403437
  N      -5.685500     -5.162247      3.980801
  Mo     -3.904205     -4.265196      4.233464
  N      -2.659227     -5.139401      5.504493
  C      -1.946985     -6.354710      5.097449
  C      -2.803444     -7.128308      4.103893
  H      -1.745755     -7.016153      5.956061
  H      -0.959174     -6.123009      4.648290
  H      -3.665056     -7.557292      4.634774
  H      -2.237165     -7.957300      3.639930
  H      -6.681834     -6.663718      2.833332
  H      -5.733651     -7.279360      4.193650
  H      -4.752909     -6.104112      1.549355
  H      -4.477345     -7.758498      2.155382
  H      -1.884946     -4.118108      0.851846
  H      -3.585481     -4.570264      0.809330
  H      -1.360330     -5.734828      2.562392
  H      -2.252545     -6.612743      1.284578
  C       0.261324     -2.501456      3.122483
  N      -1.103281     -2.428334      3.639133
  C      -2.246051     -2.294183      2.673704
  C      -1.814406     -1.673077      1.333300
  C      -2.957636     -1.462021      0.368582
  C      -4.150300     -0.839496      0.763607
  C      -5.187945     -0.636818     -0.145372
  C      -5.054488     -1.051839     -1.471390
  C      -3.874541     -1.673995     -1.878314
  C      -2.840972     -1.877701     -0.963323
  C      -7.495555     -6.731660      6.401152
  N      -6.762757     -5.489677      6.195405
  C      -6.804453     -4.813565      4.884801
  C      -8.155738     -4.970536      4.175179
  C      -9.352846     -4.309308      4.823814
  C     -10.600593     -4.403867      4.179981
  C     -11.738235     -3.807049      4.720876
  C     -11.651814     -3.100024      5.927255
  C     -10.419370     -3.001300      6.578983
  C      -9.279064     -3.599153      6.032043
  C      -3.846591     -4.980331      8.308817
  N      -3.152992     -3.917571      7.585547
  C      -2.117023     -4.351931      6.674998
  C      -0.994190     -5.083623      7.430756
  C      -0.300084     -4.226542      8.466549
  C      -0.091170     -4.730609      9.761683
  C       0.645952     -4.013056     10.709917
  C       1.194149     -2.772418     10.367037
  C       0.969196     -2.251233      9.081875
  C       0.222172     -2.959018      8.142430
  H       0.451765     -3.314045      2.390616
  H       0.939038     -2.654424      3.977802
  H       0.552067     -1.554542      2.645389
  H      -1.309551     -3.312155      4.118777
  H      -2.943404     -1.580071      3.138153
  H      -1.031418     -2.268128      0.845078
  H      -1.347189     -0.702200      1.573831
  H      -4.273814     -0.511094      1.796200
  H      -6.106779     -0.150999      0.184005
  H      -5.865116     -0.890419     -2.180505
  H      -3.756171     -2.003779     -2.909829
  H      -1.920200     -2.368199     -1.286737
  H      -7.312851     -7.070811      7.430873
  H      -8.576439     -6.552811      6.310289
  H      -7.234280     -7.566674      5.719524
  H      -5.779008     -5.601153      6.459294
  H      -6.658455     -3.739165      5.078613
  H      -8.023556     -4.545128      3.165639
  H      -8.389713     -6.036531      4.020560
  H     -10.675132     -4.953330      3.235766
  H     -12.696313     -3.893442      4.201329
  H     -12.540751     -2.633901      6.354991
  H     -10.340445     -2.456933      7.524836
  H      -8.326541     -3.543192      6.566144
  H      -3.219313     -5.364313      9.132326
  H      -4.134779     -5.849821      7.673134
  H      -4.759280     -4.573658      8.760668
  H      -3.805662     -3.332437      7.045255
  H      -1.685544     -3.424790      6.263775
  H      -0.234684     -5.415166      6.705777
  H      -1.382864     -5.997191      7.906518
  H      -0.506575     -5.710606     10.022366
  H       0.797088     -4.430004     11.712748
  H       1.780891     -2.211227     11.097276
  H       1.393257     -1.279330      8.813754
  H       0.070756     -2.533797      7.143589
  N      -4.213976     -2.633470      4.937459
  H      -4.346220     -1.621179      4.996373
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.546331096406
  N      -2.974988     -3.549303      2.609025
  C      -2.685446     -4.465778      1.516520
  C      -2.313290     -5.827480      2.087552
  N      -3.324758     -6.202942      3.093815
  C      -4.565374     -6.697584      2.458007
  C      -5.739375     -6.508988      3.399328
  N      -5.682592     -5.174972      3.987189
  Mo     -3.906552     -4.269334      4.247439
  N      -2.655694     -5.135854      5.512085
  C      -1.947563     -6.353647      5.110699
  C      -2.802124     -7.126681      4.120756
  H      -1.750945     -7.011060      5.972987
  H      -0.958578     -6.126406      4.662853
  H      -3.666856     -7.549652      4.651445
  H      -2.237864     -7.959161      3.661290
  H      -6.668060     -6.666946      2.823337
  H      -5.726861     -7.291064      4.182907
  H      -4.730691     -6.096532      1.554710
  H      -4.455312     -7.753978      2.151477
  H      -1.850546     -4.113486      0.894893
  H      -3.553711     -4.554872      0.838336
  H      -1.345502     -5.739703      2.600338
  H      -2.226775     -6.608359      1.309287
  C       0.284748     -2.504567      3.098110
  N      -1.066155     -2.431666      3.646073
  C      -2.222942     -2.302170      2.710323
  C      -1.816558     -1.668119      1.373664
  C      -2.971800     -1.469927      0.425430
  C      -4.167956     -0.860858      0.835393
  C      -5.225053     -0.684865     -0.057068
  C      -5.108582     -1.113291     -1.381234
  C      -3.923331     -1.718870     -1.803341
  C      -2.869560     -1.895410     -0.904535
  C      -7.565722     -6.773881      6.314482
  N      -6.819146     -5.532171      6.163264
  C      -6.815780     -4.827141      4.874183
  C      -8.155540     -4.950605      4.143144
  C      -9.348258     -4.286582      4.792382
  C     -10.588136     -4.355129      4.141554
  C     -11.720805     -3.752983      4.683871
  C     -11.636051     -3.063823      5.895988
  C     -10.411306     -2.989895      6.553458
  C      -9.276514     -3.596488      6.008002
  C      -3.851431     -4.977502      8.310255
  N      -3.146705     -3.918676      7.605797
  C      -2.119487     -4.354125      6.686488
  C      -0.988643     -5.077811      7.423533
  C      -0.289078     -4.216067      8.442849
  C      -0.047901     -4.711983      9.725659
  C       0.698856     -3.986522     10.655839
  C       1.222581     -2.743422     10.309050
  C       0.966519     -2.224346      9.038353
  C       0.212097     -2.947003      8.118650
  H       0.462497     -3.317234      2.362293
  H       0.980052     -2.654225      3.935052
  H       0.560690     -1.558897      2.616035
  H      -1.255251     -3.299980      4.146068
  H      -2.917882     -1.597727      3.193590
  H      -1.030706     -2.251206      0.871907
  H      -1.361609     -0.695056      1.615879
  H      -4.279879     -0.525834      1.867286
  H      -6.148615     -0.211838      0.284320
  H      -5.937306     -0.976626     -2.077994
  H      -3.818831     -2.059808     -2.834226
  H      -1.946430     -2.376975     -1.239296
  H      -7.413709     -7.143515      7.339234
  H      -8.643349     -6.583274      6.199316
  H      -7.293834     -7.591962      5.617169
  H      -5.853199     -5.644397      6.464359
  H      -6.657756     -3.760776      5.097165
  H      -8.004502     -4.508670      3.145683
  H      -8.401045     -6.009551      3.965488
  H     -10.661046     -4.890191      3.191752
  H     -12.673337     -3.820841      4.159702
  H     -12.521099     -2.591439      6.323658
  H     -10.333718     -2.458579      7.502541
  H      -8.331370     -3.559003      6.544932
  H      -3.230014     -5.385439      9.128757
  H      -4.149547     -5.833438      7.659215
  H      -4.762888     -4.559008      8.763646
  H      -3.797114     -3.303893      7.082693
  H      -1.693127     -3.426452      6.274920
  H      -0.237534     -5.402768      6.687652
  H      -1.361839     -5.990158      7.906542
  H      -0.446319     -5.692046      9.992460
  H       0.875385     -4.398243     11.648801
  H       1.817615     -2.175966     11.025707
  H       1.368590     -1.248147      8.765731
  H       0.029601     -2.526675      7.129237
  N      -4.213375     -2.641558      4.951258
  H      -4.344418     -1.628776      4.968639
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.547925291260
  N      -2.949572     -3.566489      2.629786
  C      -2.663618     -4.479115      1.531612
  C      -2.294041     -5.844030      2.100343
  N      -3.306057     -6.218368      3.108240
  C      -4.544911     -6.721944      2.472842
  C      -5.721170     -6.538370      3.413850
  N      -5.669246     -5.202919      4.001145
  Mo     -3.897114     -4.282515      4.254048
  N      -2.633594     -5.129253      5.519126
  C      -1.925613     -6.351098      5.126563
  C      -2.780861     -7.132849      4.143541
  H      -1.730268     -7.002296      5.994000
  H      -0.935899     -6.127580      4.678228
  H      -3.645798     -7.549275      4.679980
  H      -2.217235     -7.970430      3.692455
  H      -6.649392     -6.701032      2.837139
  H      -5.705634     -7.319888      4.198054
  H      -4.713885     -6.121135      1.569125
  H      -4.427906     -7.778076      2.167194
  H      -1.827501     -4.124409      0.911385
  H      -3.534325     -4.563464      0.854890
  H      -1.324696     -5.759581      2.611845
  H      -2.210767     -6.623338      1.319876
  C       0.314509     -2.528637      3.042369
  N      -1.019816     -2.440200      3.627824
  C      -2.202512     -2.313963      2.725246
  C      -1.840467     -1.661223      1.383166
  C      -3.025203     -1.468387      0.471849
  C      -4.211591     -0.869978      0.920976
  C      -5.296737     -0.700190      0.061920
  C      -5.218152     -1.123758     -1.267665
  C      -4.042496     -1.717913     -1.728758
  C      -2.960681     -1.888613     -0.862815
  C      -7.603095     -6.815026      6.265771
  N      -6.855787     -5.570563      6.151543
  C      -6.814803     -4.849995      4.872260
  C      -8.140803     -4.939463      4.113157
  C      -9.334805     -4.260484      4.745976
  C     -10.561096     -4.286480      4.061785
  C     -11.692804     -3.660051      4.581721
  C     -11.621071     -2.990820      5.805549
  C     -10.410231     -2.961256      6.497641
  C      -9.275889     -3.590087      5.973286
  C      -3.859224     -5.020956      8.297373
  N      -3.152959     -3.944285      7.619495
  C      -2.112128     -4.349738      6.700319
  C      -0.970031     -5.060700      7.431626
  C      -0.268759     -4.191723      8.445718
  C      -0.054294     -4.662619      9.745054
  C       0.696317     -3.929840     10.669840
  C       1.250616     -2.704949     10.300867
  C       1.021405     -2.207630      9.015213
  C       0.264071     -2.939302      8.104557
  H       0.464960     -3.351120      2.309381
  H       1.033749     -2.675084      3.861083
  H       0.582471     -1.588118      2.542619
  H      -1.198702     -3.297115      4.153612
  H      -2.890056     -1.622693      3.236765
  H      -1.066737     -2.233116      0.851998
  H      -1.386658     -0.685421      1.622121
  H      -4.292959     -0.538340      1.957668
  H      -6.211978     -0.235578      0.433556
  H      -6.068601     -0.991796     -1.938695
  H      -3.967085     -2.054636     -2.764734
  H      -2.044945     -2.361356     -1.227654
  H      -7.465076     -7.205632      7.283734
  H      -8.678827     -6.621490      6.140382
  H      -7.321906     -7.618971      5.555896
  H      -5.898598     -5.681005      6.479914
  H      -6.643517     -3.790201      5.114439
  H      -7.960030     -4.487199      3.125033
  H      -8.402096     -5.990624      3.914410
  H     -10.623041     -4.804622      3.101766
  H     -12.634377     -3.692212      4.029559
  H     -12.505422     -2.498961      6.215825
  H     -10.343446     -2.446267      7.456356
  H      -8.341924     -3.585981      6.535904
  H      -3.253765     -5.434312      9.120344
  H      -4.134904     -5.867193      7.628787
  H      -4.782769     -4.621145      8.739231
  H      -3.795023     -3.345133      7.099793
  H      -1.702293     -3.409598      6.298518
  H      -0.219742     -5.376621      6.690760
  H      -1.330583     -5.976591      7.920871
  H      -0.476579     -5.628834     10.029758
  H       0.852149     -4.321660     11.675832
  H       1.849666     -2.132197     11.012482
  H       1.447208     -1.245688      8.725343
  H       0.104023     -2.540450      7.099951
  N      -4.204101     -2.658590      4.968258
  H      -4.344176     -1.648019      4.964063
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.549479785463
  N      -2.914795     -3.579760      2.652740
  C      -2.634112     -4.489838      1.547546
  C      -2.277776     -5.862420      2.107090
  N      -3.292280     -6.233439      3.114997
  C      -4.531839     -6.733525      2.478138
  C      -5.708762     -6.550907      3.418855
  N      -5.654687     -5.217806      4.012849
  Mo     -3.881311     -4.296637      4.259410
  N      -2.613062     -5.132141      5.522670
  C      -1.912095     -6.360858      5.136830
  C      -2.771040     -7.144454      4.156792
  H      -1.720747     -7.008169      6.008302
  H      -0.920721     -6.144486      4.688306
  H      -3.638303     -7.551909      4.696034
  H      -2.211117     -7.988625      3.712505
  H      -6.636506     -6.709590      2.840084
  H      -5.695371     -7.336010      4.199170
  H      -4.699286     -6.128191      1.577262
  H      -4.416545     -7.788621      2.168433
  H      -1.794869     -4.136798      0.929862
  H      -3.505922     -4.562986      0.871231
  H      -1.306106     -5.794789      2.615890
  H      -2.205112     -6.635192      1.318728
  C       0.360072     -2.580101      2.990016
  N      -0.954444     -2.455726      3.613256
  C      -2.163387     -2.326577      2.747927
  C      -1.848399     -1.651385      1.403716
  C      -3.066075     -1.468285      0.530020
  C      -4.248044     -0.894136      1.021605
  C      -5.366664     -0.739057      0.199346
  C      -5.325222     -1.150799     -1.135807
  C      -4.154194     -1.719798     -1.639430
  C      -3.039550     -1.878074     -0.809620
  C      -7.653273     -6.835961      6.213704
  N      -6.897285     -5.592222      6.137405
  C      -6.811310     -4.856564      4.866663
  C      -8.122584     -4.906002      4.073911
  C      -9.321507     -4.222142      4.695485
  C     -10.531535     -4.209243      3.978262
  C     -11.665903     -3.579262      4.488533
  C     -11.613470     -2.946285      5.736312
  C     -10.419151     -2.955495      6.461030
  C      -9.282084     -3.586778      5.945857
  C      -3.858177     -5.074378      8.281928
  N      -3.149977     -3.981064      7.634481
  C      -2.099968     -4.358132      6.708578
  C      -0.938749     -5.055605      7.432727
  C      -0.241233     -4.168288      8.434825
  C      -0.049108     -4.603654      9.752767
  C       0.685273     -3.845405     10.671813
  C       1.246729     -2.628704     10.282464
  C       1.046928     -2.162140      8.973972
  C       0.304433     -2.928479      8.070117
  H       0.470407     -3.415652      2.264326
  H       1.099520     -2.731962      3.791185
  H       0.633371     -1.650993      2.471236
  H      -1.129328     -3.300180      4.163007
  H      -2.838026     -1.649905      3.293565
  H      -1.084733     -2.207362      0.841916
  H      -1.400150     -0.670827      1.642327
  H      -4.299376     -0.572736      2.063698
  H      -6.278069     -0.294885      0.604179
  H      -6.200638     -1.029136     -1.778317
  H      -4.107589     -2.046152     -2.680202
  H      -2.128052     -2.332286     -1.206904
  H      -7.533961     -7.247884      7.226686
  H      -8.727046     -6.634511      6.074353
  H      -7.362428     -7.626590      5.493251
  H      -5.947551     -5.713075      6.495665
  H      -6.624180     -3.804205      5.129992
  H      -7.911975     -4.433636      3.099878
  H      -8.397002     -5.947918      3.842682
  H     -10.578017     -4.700496      3.000931
  H     -12.594249     -3.581287      3.911441
  H     -12.499570     -2.452865      6.140079
  H     -10.368250     -2.470086      7.439780
  H      -8.362474     -3.616798      6.535594
  H      -3.264940     -5.494054      9.103983
  H      -4.115346     -5.906980      7.597730
  H      -4.789861     -4.689827      8.715708
  H      -3.792254     -3.377150      7.120357
  H      -1.711702     -3.405684      6.314735
  H      -0.190491     -5.369696      6.688333
  H      -1.284022     -5.971037      7.935651
  H      -0.478735     -5.560589     10.058584
  H       0.822412     -4.209812     11.691098
  H       1.831024     -2.036443     10.990959
  H       1.477097     -1.209946      8.661689
  H       0.163116     -2.562875      7.047591
  N      -4.190635     -2.678031      4.995994
  H      -4.349382     -1.669411      4.974718
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.550824447400
  N      -2.882114     -3.594432      2.667145
  C      -2.602432     -4.504548      1.559488
  C      -2.257821     -5.882165      2.115104
  N      -3.275278     -6.249131      3.122358
  C      -4.515139     -6.748349      2.487041
  C      -5.691958     -6.567337      3.428898
  N      -5.641096     -5.234419      4.025152
  Mo     -3.866528     -4.308567      4.259288
  N      -2.593148     -5.129742      5.522954
  C      -1.896702     -6.364155      5.146375
  C      -2.756206     -7.153156      4.171152
  H      -1.708363     -7.005927      6.022798
  H      -0.904441     -6.153081      4.697588
  H      -3.624179     -7.555392      4.713007
  H      -2.196356     -8.001677      3.734428
  H      -6.619679     -6.727277      2.849738
  H      -5.676165     -7.354094      4.208011
  H      -4.682553     -6.141771      1.586484
  H      -4.401045     -7.803683      2.176663
  H      -1.759537     -4.153793      0.944454
  H      -3.473639     -4.570333      0.881163
  H      -1.284164     -5.829454      2.622418
  H      -2.193522     -6.650685      1.321276
  C       0.401850     -2.633127      2.925358
  N      -0.891901     -2.466460      3.585058
  C      -2.125000     -2.339871      2.757375
  C      -1.856576     -1.647750      1.411086
  C      -3.103904     -1.462948      0.580991
  C      -4.263082     -0.887062      1.118813
  C      -5.408177     -0.727889      0.339486
  C      -5.418004     -1.140505     -0.998717
  C      -4.271246     -1.712964     -1.548399
  C      -3.128505     -1.873219     -0.761198
  C      -7.692412     -6.853980      6.168112
  N      -6.931797     -5.610183      6.123890
  C      -6.807765     -4.867224      4.861960
  C      -8.106338     -4.895114      4.046892
  C      -9.307440     -4.201334      4.654631
  C     -10.506522     -4.178765      3.926830
  C     -11.641771     -3.539795      4.424285
  C     -11.600061     -2.904251      5.667838
  C     -10.416600     -2.922129      6.401837
  C      -9.279668     -3.565495      5.901552
  C      -3.868760     -5.120138      8.254907
  N      -3.153976     -4.007818      7.644263
  C      -2.094724     -4.360522      6.717150
  C      -0.922702     -5.047871      7.440967
  C      -0.225375     -4.149313      8.432256
  C      -0.058614     -4.552516      9.767767
  C       0.663531     -3.772749     10.680073
  C       1.239723     -2.566729     10.270525
  C       1.072655     -2.130035      8.941942
  C       0.339737     -2.924511      8.046579
  H       0.471520     -3.488708      2.218027
  H       1.162956     -2.782312      3.709518
  H       0.678067     -1.719496      2.377881
  H      -1.061687     -3.294128      4.163776
  H      -2.786592     -1.674237      3.331823
  H      -1.109627     -2.192316      0.816960
  H      -1.405871     -0.667261      1.646198
  H      -4.272689     -0.565986      2.164357
  H      -6.300067     -0.281358      0.779991
  H      -6.313835     -1.016248     -1.607973
  H      -4.265411     -2.040320     -2.592358
  H      -2.235530     -2.330285     -1.193479
  H      -7.591466     -7.281019      7.177024
  H      -8.763258     -6.647407      6.012970
  H      -7.389152     -7.634462      5.442522
  H      -5.994176     -5.739426      6.509918
  H      -6.613803     -3.819619      5.139257
  H      -7.876982     -4.418582      3.079842
  H      -8.387121     -5.932365      3.805312
  H     -10.544012     -4.671652      2.952749
  H     -12.561509     -3.536147      3.839962
  H     -12.485770     -2.401802      6.061120
  H     -10.373931     -2.434093      7.376289
  H      -8.370626     -3.603882      6.498198
  H      -3.284609     -5.560904      9.075555
  H      -4.117068     -5.934978      7.544406
  H      -4.806373     -4.745510      8.683283
  H      -3.795589     -3.402023      7.131463
  H      -1.722369     -3.397347      6.330534
  H      -0.176712     -5.363147      6.694686
  H      -1.261908     -5.961541      7.956387
  H      -0.500126     -5.499105     10.095021
  H       0.780155     -4.111732     11.713133
  H       1.812241     -1.958494     10.976755
  H       1.513578     -1.190090      8.604196
  H       0.219088     -2.590569      7.007356
  N      -4.189718     -2.695563      5.013620
  H      -4.377841     -1.690305      4.969688
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.552216344026
  N      -2.847773     -3.609363      2.690913
  C      -2.562631     -4.517419      1.581996
  C      -2.231722     -5.900083      2.133652
  N      -3.256876     -6.263699      3.134243
  C      -4.495967     -6.759171      2.496512
  C      -5.674651     -6.580750      3.438162
  N      -5.629198     -5.250212      4.040027
  Mo     -3.854821     -4.321014      4.265243
  N      -2.578381     -5.131919      5.528000
  C      -1.886703     -6.371131      5.161187
  C      -2.744751     -7.163671      4.188633
  H      -1.701240     -7.008103      6.042014
  H      -0.893588     -6.164634      4.712578
  H      -3.614208     -7.562875      4.729878
  H      -2.183643     -8.014969      3.758513
  H      -6.601501     -6.740561      2.857765
  H      -5.656822     -7.371150      4.214007
  H      -4.660212     -6.150968      1.596275
  H      -4.384399     -7.814549      2.184334
  H      -1.713673     -4.168603      0.974168
  H      -3.428835     -4.575979      0.896544
  H      -1.259069     -5.861498      2.644764
  H      -2.170259     -6.664645      1.335553
  C       0.434181     -2.682921      2.871694
  N      -0.836696     -2.474808      3.567196
  C      -2.089167     -2.352362      2.777618
  C      -1.864920     -1.642738      1.433987
  C      -3.140344     -1.470034      0.643200
  C      -4.298265     -0.931631      1.225119
  C      -5.473434     -0.789614      0.487131
  C      -5.514106     -1.178393     -0.853665
  C      -4.368291     -1.711013     -1.447538
  C      -3.195927     -1.856937     -0.701372
  C      -7.740133     -6.872948      6.111542
  N      -6.968361     -5.634126      6.104272
  C      -6.804435     -4.876666      4.858442
  C      -8.087442     -4.868711      4.017563
  C      -9.290974     -4.169003      4.614679
  C     -10.467479     -4.087024      3.846095
  C     -11.602650     -3.431481      4.324826
  C     -11.583490     -2.840700      5.592722
  C     -10.423108     -2.920816      6.369032
  C      -9.285749     -3.578064      5.885601
  C      -3.862584     -5.164018      8.236703
  N      -3.153369     -4.032393      7.660134
  C      -2.092061     -4.364051      6.725303
  C      -0.902493     -5.034531      7.434770
  C      -0.205232     -4.125734      8.411351
  C      -0.038533     -4.507832      9.752110
  C       0.669342     -3.705460     10.654112
  C       1.232457     -2.497422     10.233738
  C       1.072990     -2.080283      8.897389
  C       0.352122     -2.904398      8.012165
  H       0.465451     -3.556077      2.185824
  H       1.215078     -2.828496      3.635401
  H       0.709892     -1.786890      2.296060
  H      -0.998917     -3.282243      4.174885
  H      -2.741661     -1.696848      3.374887
  H      -1.125003     -2.166850      0.811809
  H      -1.424369     -0.658439      1.668998
  H      -4.283853     -0.632694      2.274026
  H      -6.365031     -0.375929      0.962660
  H      -6.433837     -1.067651     -1.430944
  H      -4.386940     -2.018676     -2.493832
  H      -2.304166     -2.284488     -1.167382
  H      -7.662810     -7.317394      7.114716
  H      -8.805219     -6.654719      5.937971
  H      -7.427042     -7.643639      5.381167
  H      -6.046659     -5.774603      6.518642
  H      -6.600435     -3.836338      5.154852
  H      -7.831072     -4.374097      3.066491
  H      -8.379283     -5.896197      3.748183
  H     -10.485947     -4.543281      2.851794
  H     -12.504103     -3.378901      3.705934
  H     -12.468424     -2.325148      5.972874
  H     -10.398329     -2.468808      7.363260
  H      -8.396404     -3.666028      6.515516
  H      -3.274907     -5.629712      9.048057
  H      -4.104730     -5.959719      7.496083
  H      -4.804411     -4.799506      8.672168
  H      -3.802333     -3.421941      7.152118
  H      -1.741884     -3.392551      6.340433
  H      -0.166508     -5.346207      6.677272
  H      -1.225303     -5.947897      7.959370
  H      -0.470283     -5.452874     10.094986
  H       0.785119     -4.027769     11.691599
  H       1.790201     -1.872514     10.936790
  H       1.501548     -1.142721      8.538739
  H       0.230014     -2.592295      6.966557
  N      -4.206832     -2.721804      5.038316
  H      -4.434840     -1.724829      4.965900
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.553619341104
  N      -2.809049     -3.619772      2.709053
  C      -2.522872     -4.524979      1.597553
  C      -2.211647     -5.913050      2.145151
  N      -3.243941     -6.267763      3.141237
  C      -4.484942     -6.754216      2.501756
  C      -5.663625     -6.571728      3.443267
  N      -5.617035     -5.243630      4.048606
  Mo     -3.838872     -4.319654      4.267764
  N      -2.565021     -5.130916      5.529534
  C      -1.882501     -6.377041      5.172640
  C      -2.742419     -7.167980      4.200035
  H      -1.704457     -7.011242      6.056728
  H      -0.886589     -6.180161      4.726244
  H      -3.615501     -7.560708      4.739582
  H      -2.184437     -8.024233      3.775442
  H      -6.590284     -6.727616      2.862551
  H      -5.647942     -7.364298      4.216661
  H      -4.643765     -6.144340      1.602062
  H      -4.381262     -7.809858      2.188091
  H      -1.665813     -4.182114      0.998373
  H      -3.382557     -4.572021      0.904403
  H      -1.240619     -5.889352      2.659283
  H      -2.156300     -6.675274      1.345065
  C       0.463267     -2.745131      2.813070
  N      -0.778475     -2.492246      3.545021
  C      -2.047406     -2.364906      2.793192
  C      -1.861110     -1.644234      1.449257
  C      -3.159266     -1.477257      0.694584
  C      -4.304878     -0.949424      1.311926
  C      -5.502703     -0.817399      0.608713
  C      -5.578750     -1.204205     -0.732138
  C      -4.445696     -1.724974     -1.361096
  C      -3.250557     -1.861437     -0.649838
  C      -7.782800     -6.864497      6.059015
  N      -6.996477     -5.635444      6.082269
  C      -6.799160     -4.864183      4.851560
  C      -8.068174     -4.830534      3.989766
  C      -9.275974     -4.135894      4.581695
  C     -10.438584     -4.036867      3.798310
  C     -11.580160     -3.395371      4.276236
  C     -11.581436     -2.834508      5.558590
  C     -10.434385     -2.928853      6.347934
  C      -9.290690     -3.572960      5.865633
  C      -3.865367     -5.230790      8.213504
  N      -3.166085     -4.070407      7.673791
  C      -2.095446     -4.365905      6.735704
  C      -0.889355     -5.014587      7.432373
  C      -0.196987     -4.094507      8.399518
  C      -0.034535     -4.459174      9.744249
  C       0.665772     -3.642214     10.638453
  C       1.225349     -2.437162     10.207554
  C       1.069800     -2.036343      8.866663
  C       0.355489     -2.876025      7.988633
  H       0.452967     -3.632583      2.148084
  H       1.263081     -2.890664      3.553114
  H       0.738602     -1.870406      2.209440
  H      -0.934707     -3.277041      4.180497
  H      -2.685431     -1.714613      3.410347
  H      -1.135270     -2.159350      0.803117
  H      -1.421101     -0.658809      1.678506
  H      -4.263641     -0.653217      2.361939
  H      -6.383888     -0.412872      1.111873
  H      -6.515975     -1.100570     -1.282201
  H      -4.491792     -2.030303     -2.407676
  H      -2.368707     -2.279711     -1.143535
  H      -7.728532     -7.323540      7.056971
  H      -8.841345     -6.630081      5.869372
  H      -7.465881     -7.629343      5.324561
  H      -6.088120     -5.786630      6.519499
  H      -6.587659     -3.830479      5.164153
  H      -7.793272     -4.319989      3.053012
  H      -8.362951     -5.851444      3.697890
  H     -10.441418     -4.471637      2.793770
  H     -12.470935     -3.332444      3.647275
  H     -12.471486     -2.331115      5.939334
  H     -10.425375     -2.499967      7.353524
  H      -8.413878     -3.675346      6.506780
  H      -3.283872     -5.702586      9.021004
  H      -4.078794     -6.010784      7.450661
  H      -4.819560     -4.898074      8.644045
  H      -3.819506     -3.458689      7.165233
  H      -1.770307     -3.382535      6.359681
  H      -0.161432     -5.315103      6.662647
  H      -1.191232     -5.931943      7.958405
  H      -0.460420     -5.401518     10.098342
  H       0.779837     -3.951324     11.679057
  H       1.774868     -1.802445     10.907826
  H       1.493091     -1.103348      8.492463
  H       0.236100     -2.579373      6.938583
  N      -4.217201     -2.733451      5.057402
  H      -4.481936     -1.747145      4.952846
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.555145322011
  N      -2.775736     -3.632920      2.723677
  C      -2.482706     -4.535101      1.611122
  C      -2.184365     -5.927730      2.157457
  N      -3.222785     -6.277489      3.149370
  C      -4.464895     -6.757938      2.507868
  C      -5.644680     -6.573984      3.448345
  N      -5.601351     -5.247026      4.055220
  Mo     -3.821501     -4.322136      4.269393
  N      -2.551405     -5.134640      5.533894
  C      -1.876054     -6.387493      5.190737
  C      -2.731741     -7.178348      4.213098
  H      -1.707659     -7.018322      6.078875
  H      -0.875788     -6.199781      4.750332
  H      -3.609429     -7.568381      4.746754
  H      -2.173156     -8.037104      3.794848
  H      -6.570390     -6.729474      2.866659
  H      -5.630038     -7.367810      4.220470
  H      -4.619406     -6.146952      1.608245
  H      -4.367187     -7.814050      2.193299
  H      -1.617948     -4.194513      1.022019
  H      -3.334535     -4.575631      0.908232
  H      -1.215335     -5.911992      2.675790
  H      -2.131143     -6.689427      1.357635
  C       0.478852     -2.798605      2.753368
  N      -0.733032     -2.504062      3.521981
  C      -2.020355     -2.374969      2.809365
  C      -1.874843     -1.639041      1.467957
  C      -3.194494     -1.477977      0.750419
  C      -4.327583     -0.962522      1.401990
  C      -5.545545     -0.838576      0.732905
  C      -5.655734     -1.221396     -0.607335
  C      -4.536187     -1.729352     -1.270078
  C      -3.320134     -1.856558     -0.593225
  C      -7.812188     -6.866079      6.015089
  N      -7.012972     -5.648133      6.061460
  C      -6.791688     -4.864660      4.843355
  C      -8.047915     -4.810100      3.963794
  C      -9.256625     -4.108255      4.543684
  C     -10.404415     -3.986472      3.744037
  C     -11.547096     -3.338970      4.209733
  C     -11.564844     -2.792785      5.495961
  C     -10.432460     -2.907964      6.300739
  C      -9.287529     -3.559720      5.831334
  C      -3.863990     -5.286781      8.201863
  N      -3.180486     -4.105583      7.687997
  C      -2.100116     -4.369894      6.749593
  C      -0.879407     -4.996502      7.436266
  C      -0.189609     -4.064336      8.391410
  C      -0.033563     -4.412264      9.739284
  C       0.666396     -3.586182     10.624822
  C       1.231067     -2.389171     10.180428
  C       1.077457     -2.004652      8.835859
  C       0.363276     -2.850618      7.965354
  H       0.432339     -3.704992      2.116364
  H       1.304268     -2.932970      3.467252
  H       0.742187     -1.945979      2.113118
  H      -0.879334     -3.267035      4.187398
  H      -2.645755     -1.733013      3.447035
  H      -1.162796     -2.143376      0.798843
  H      -1.436919     -0.652390      1.692210
  H      -4.262155     -0.669974      2.452302
  H      -6.415322     -0.443431      1.262756
  H      -6.609138     -1.124180     -1.130294
  H      -4.608475     -2.031525     -2.316628
  H      -2.448766     -2.263582     -1.114492
  H      -7.779600     -7.334021      7.009229
  H      -8.863671     -6.616288      5.809964
  H      -7.493329     -7.628950      5.278642
  H      -6.115102     -5.805925      6.515479
  H      -6.575462     -3.836049      5.167736
  H      -7.753755     -4.293494      3.036544
  H      -8.348667     -5.825735      3.660301
  H     -10.394746     -4.408775      2.736001
  H     -12.425933     -3.259779      3.568309
  H     -12.455985     -2.284194      5.867038
  H     -10.435485     -2.489785      7.308617
  H      -8.423008     -3.678594      6.484163
  H      -3.275895     -5.761877      9.001565
  H      -4.062505     -6.055518      7.424965
  H      -4.826397     -4.978140      8.634100
  H      -3.845456     -3.502839      7.175422
  H      -1.797637     -3.376602      6.382002
  H      -0.159204     -5.289822      6.657009
  H      -1.164331     -5.916487      7.963277
  H      -0.459204     -5.349867     10.104458
  H       0.777921     -3.883173     11.668412
  H       1.779035     -1.750059     10.876465
  H       1.502313     -1.078714      8.445809
  H       0.249324     -2.565984      6.912063
  N      -4.250608     -2.761065      5.079154
  H      -4.571060     -1.795247      4.937732
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.556636527376
  N      -2.743225     -3.645861      2.733118
  C      -2.448091     -4.547924      1.620549
  C      -2.162421     -5.943788      2.168644
  N      -3.206040     -6.287182      3.156982
  C      -4.449543     -6.757863      2.511870
  C      -5.630197     -6.566490      3.448846
  N      -5.585292     -5.240043      4.055425
  Mo     -3.802638     -4.319034      4.269024
  N      -2.543915     -5.137424      5.537507
  C      -1.877261     -6.398207      5.211909
  C      -2.728141     -7.188464      4.226962
  H      -1.721374     -7.023747      6.106491
  H      -0.871331     -6.222019      4.779205
  H      -3.612731     -7.573437      4.752695
  H      -2.170325     -8.051002      3.816130
  H      -6.554954     -6.719224      2.865013
  H      -5.621744     -7.360253      4.221229
  H      -4.596707     -6.145577      1.611778
  H      -4.360926     -7.814892      2.196816
  H      -1.576248     -4.212197      1.039123
  H      -3.293769     -4.581660      0.909717
  H      -1.195325     -5.933680      2.691084
  H      -2.111756     -6.706578      1.369969
  C       0.492478     -2.858256      2.703083
  N      -0.688325     -2.517371      3.499301
  C      -1.992012     -2.386374      2.820860
  C      -1.881246     -1.640572      1.480199
  C      -3.216272     -1.479246      0.795298
  C      -4.331648     -0.961742      1.473693
  C      -5.563422     -0.838269      0.833241
  C      -5.706477     -1.225596     -0.504578
  C      -4.605113     -1.735789     -1.193737
  C      -3.374641     -1.860763     -0.545528
  C      -7.836963     -6.855198      5.974710
  N      -7.022376     -5.650663      6.038499
  C      -6.783228     -4.855526      4.831386
  C      -8.028221     -4.783234      3.937072
  C      -9.239132     -4.085678      4.514124
  C     -10.372182     -3.933969      3.699568
  C     -11.516852     -3.292664      4.165286
  C     -11.552535     -2.783206      5.467020
  C     -10.434722     -2.927011      6.286374
  C      -9.287101     -3.572131      5.816656
  C      -3.858963     -5.341174      8.189631
  N      -3.199355     -4.139326      7.696607
  C      -2.110409     -4.370494      6.759274
  C      -0.873976     -4.975090      7.436142
  C      -0.189145     -4.029251      8.382266
  C      -0.036418     -4.364319      9.731554
  C       0.662900     -3.530823     10.610879
  C       1.229004     -2.339999     10.154573
  C       1.072941     -1.970005      8.807875
  C       0.360235     -2.817400      7.942445
  H       0.412536     -3.787358      2.101837
  H       1.340531     -2.975966      3.393227
  H       0.743020     -2.034556      2.022396
  H      -0.824977     -3.255040      4.195077
  H      -2.600484     -1.750180      3.478606
  H      -1.186041     -2.143571      0.793276
  H      -1.439483     -0.654478      1.696013
  H      -4.242948     -0.664749      2.522535
  H      -6.418057     -0.440474      1.383895
  H      -6.671259     -1.129631     -1.004457
  H      -4.702296     -2.042099     -2.238944
  H      -2.517739     -2.268613     -1.088702
  H      -7.824435     -7.329496      6.965781
  H      -8.881563     -6.588987      5.756965
  H      -7.520891     -7.618122      5.235850
  H      -6.132882     -5.817718      6.505316
  H      -6.563020     -3.831882      5.167144
  H      -7.719520     -4.253302      3.022509
  H      -8.330178     -5.792731      3.613597
  H     -10.349455     -4.327538      2.679575
  H     -12.384058     -3.190128      3.512444
  H     -12.446355     -2.280647      5.837813
  H     -10.451311     -2.537240      7.306217
  H      -8.433843     -3.714229      6.479721
  H      -3.256799     -5.820628      8.978818
  H      -4.049485     -6.099756      7.398773
  H      -4.826460     -5.057446      8.630908
  H      -3.876578     -3.556082      7.181157
  H      -1.831205     -3.367948      6.400865
  H      -0.157687     -5.259437      6.649817
  H      -1.141865     -5.900462      7.963113
  H      -0.461531     -5.298987     10.103671
  H       0.772973     -3.818132     11.656756
  H       1.777066     -1.697495     10.846364
  H       1.498145     -1.048191      8.408480
  H       0.249462     -2.538470      6.888621
  N      -4.292068     -2.783489      5.096731
  H      -4.675445     -1.846904      4.907441
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.557761059204
  N      -2.724170     -3.652999      2.738078
  C      -2.428131     -4.554866      1.625036
  C      -2.141738     -5.951354      2.174679
  N      -3.184499     -6.298460      3.163042
  C      -4.428162     -6.767309      2.517611
  C      -5.609051     -6.575634      3.453563
  N      -5.566172     -5.247871      4.057538
  Mo     -3.785439     -4.318808      4.269777
  N      -2.531994     -5.138143      5.539725
  C      -1.866717     -6.401934      5.228171
  C      -2.709558     -7.195882      4.237135
  H      -1.718770     -7.021404      6.128520
  H      -0.856642     -6.229961      4.802385
  H      -3.597823     -7.582137      4.756264
  H      -2.147540     -8.057921      3.831354
  H      -6.533800     -6.730830      2.868760
  H      -5.602420     -7.368561      4.227799
  H      -4.574969     -6.153397      1.617833
  H      -4.341403     -7.824686      2.201086
  H      -1.554855     -4.218747      1.045028
  H      -3.273109     -4.587359      0.912275
  H      -1.174020     -5.938397      2.697222
  H      -2.090567     -6.714016      1.375421
  C       0.495490     -2.888382      2.659196
  N      -0.659838     -2.509813      3.476082
  C      -1.983168     -2.386227      2.828012
  C      -1.908438     -1.626878      1.491996
  C      -3.259752     -1.479460      0.834458
  C      -4.375970     -0.996265      1.536904
  C      -5.626920     -0.894742      0.922139
  C      -5.786240     -1.264874     -0.414071
  C      -4.682201     -1.737026     -1.127630
  C      -3.434145     -1.843888     -0.504229
  C      -7.848039     -6.866462      5.943828
  N      -7.024484     -5.670007      6.022610
  C      -6.772881     -4.865377      4.824021
  C      -8.008147     -4.776748      3.917850
  C      -9.213755     -4.058428      4.481613
  C     -10.332989     -3.876951      3.655440
  C     -11.468652     -3.209104      4.108440
  C     -11.509339     -2.701674      5.407354
  C     -10.405276     -2.874502      6.237935
  C      -9.266798     -3.546894      5.781497
  C      -3.848891     -5.400313      8.181995
  N      -3.210814     -4.177587      7.707980
  C      -2.116462     -4.372573      6.769653
  C      -0.866380     -4.961921      7.440388
  C      -0.186676     -4.006294      8.385079
  C      -0.039413     -4.333426      9.737383
  C       0.660283     -3.496404     10.614510
  C       1.230611     -2.311050     10.148331
  C       1.074539     -1.952839      8.799136
  C       0.363608     -2.796327      7.934888
  H       0.393260     -3.841522      2.098942
  H       1.365646     -2.981479      3.326773
  H       0.727143     -2.093959      1.936832
  H      -0.780842     -3.224914      4.202360
  H      -2.578710     -1.762521      3.508934
  H      -1.221169     -2.121275      0.791171
  H      -1.472922     -0.636360      1.704649
  H      -4.276115     -0.712314      2.584519
  H      -6.483403     -0.526815      1.492312
  H      -6.766131     -1.185860     -0.893380
  H      -4.790500     -2.028293     -2.171868
  H      -2.576362     -2.223005     -1.067071
  H      -7.852640     -7.345104      6.932484
  H      -8.887848     -6.591591      5.714035
  H      -7.531152     -7.628085      5.203099
  H      -6.142073     -5.843422      6.501705
  H      -6.549370     -3.845946      5.169862
  H      -7.682292     -4.249224      3.007554
  H      -8.320002     -5.780995      3.588877
  H     -10.306786     -4.266259      2.636567
  H     -12.324996     -3.082524      3.446615
  H     -12.396547     -2.177167      5.766090
  H     -10.424957     -2.485133      7.254407
  H      -8.422327     -3.707853      6.449066
  H      -3.238756     -5.877900      8.962512
  H      -4.030747     -6.149905      7.384234
  H      -4.819652     -5.145462      8.627326
  H      -3.899298     -3.607074      7.195922
  H      -1.857095     -3.359410      6.424958
  H      -0.148371     -5.235214      6.651129
  H      -1.120514     -5.894517      7.966629
  H      -0.469171     -5.265848     10.112011
  H       0.766276     -3.777055     11.663894
  H       1.781620     -1.666661     10.836462
  H       1.504971     -1.032996      8.398853
  H       0.258052     -2.517959      6.880676
  N      -4.342531     -2.815036      5.115641
  H      -4.794309     -1.920084      4.877193
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.558582616666
  N      -2.706838     -3.670859      2.744024
  C      -2.419388     -4.570518      1.626731
  C      -2.136127     -5.969249      2.173287
  N      -3.176977     -6.318538      3.163175
  C      -4.420971     -6.781990      2.516949
  C      -5.599937     -6.587434      3.452992
  N      -5.551128     -5.260465      4.057941
  Mo     -3.769765     -4.331491      4.270924
  N      -2.522285     -5.151379      5.539732
  C      -1.863643     -6.419771      5.235182
  C      -2.704838     -7.212433      4.240555
  H      -1.723655     -7.036433      6.138614
  H      -0.850529     -6.254351      4.813822
  H      -3.596273     -7.596202      4.756575
  H      -2.142405     -8.075904      3.838125
  H      -6.525849     -6.739399      2.868197
  H      -5.597443     -7.380802      4.227207
  H      -4.566188     -6.163821      1.619481
  H      -4.337592     -7.838603      2.196611
  H      -1.546707     -4.236279      1.044410
  H      -3.267643     -4.595581      0.917503
  H      -1.166480     -5.959483      2.692587
  H      -2.088874     -6.728197      1.369502
  C       0.503369     -2.942584      2.621916
  N      -0.625796     -2.527763      3.456312
  C      -1.963774     -2.405281      2.837030
  C      -1.918854     -1.633357      1.506397
  C      -3.282673     -1.477440      0.882673
  C      -4.363582     -0.961567      1.608924
  C      -5.622901     -0.845578      1.024592
  C      -5.828422     -1.242061     -0.304246
  C      -4.761056     -1.751441     -1.041337
  C      -3.502576     -1.867667     -0.448227
  C      -7.856881     -6.890363      5.907835
  N      -7.027681     -5.698361      6.005434
  C      -6.763132     -4.880650      4.818988
  C      -7.987094     -4.770010      3.899617
  C      -9.193322     -4.042935      4.455797
  C     -10.288659     -3.807496      3.603671
  C     -11.419532     -3.120909      4.047039
  C     -11.480031     -2.652124      5.362627
  C     -10.400386     -2.881395      6.220306
  C      -9.265570     -3.568990      5.772306
  C      -3.826101     -5.449170      8.185672
  N      -3.210092     -4.216746      7.718648
  C      -2.118202     -4.384965      6.770066
  C      -0.849083     -4.945249      7.429725
  C      -0.188599     -3.971045      8.369340
  C      -0.043284     -4.282093      9.725590
  C       0.638282     -3.426481     10.598520
  C       1.190209     -2.236946     10.123231
  C       1.032839     -1.895344      8.771338
  C       0.342471     -2.756613      7.911221
  H       0.377862     -3.911976      2.095997
  H       1.391190     -3.022170      3.267855
  H       0.721703     -2.173965      1.867607
  H      -0.734038     -3.219128      4.206667
  H      -2.540607     -1.793661      3.544356
  H      -1.254012     -2.130183      0.787058
  H      -1.471533     -0.646765      1.713092
  H      -4.225057     -0.653070      2.650375
  H      -6.449789     -0.446983      1.611927
  H      -6.814106     -1.152523     -0.759566
  H      -4.905644     -2.064550     -2.080732
  H      -2.672561     -2.275047     -1.029097
  H      -7.872905     -7.379102      6.891585
  H      -8.894387     -6.609708      5.671992
  H      -7.538056     -7.645205      5.161263
  H      -6.151619     -5.881128      6.493610
  H      -6.534611     -3.868107      5.181183
  H      -7.642524     -4.233265      3.000465
  H      -8.305119     -5.765003      3.548742
  H     -10.246400     -4.165178      2.571430
  H     -12.256654     -2.948546      3.363901
  H     -12.364162     -2.113898      5.713381
  H     -10.436426     -2.523204      7.250723
  H      -8.438647     -3.772972      6.458420
  H      -3.198591     -5.932141      8.949763
  H      -4.016834     -6.190125      7.382051
  H      -4.792305     -5.204137      8.650712
  H      -3.914317     -3.651190      7.219092
  H      -1.884612     -3.364779      6.432223
  H      -0.128010     -5.202403      6.637611
  H      -1.074115     -5.880516      7.962206
  H      -0.462009     -5.217288     10.103838
  H       0.742993     -3.694928     11.650875
  H       1.728988     -1.576202     10.805558
  H       1.450126     -0.969400      8.372604
  H       0.236912     -2.487082      6.855516
  N      -4.365770     -2.851086      5.138485
  H      -4.866012     -1.991433      4.865167
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.559159924521
  N      -2.685131     -3.683095      2.750097
  C      -2.408386     -4.581683      1.628595
  C      -2.135382     -5.982878      2.169624
  N      -3.177049     -6.329751      3.159135
  C      -4.421743     -6.786181      2.513130
  C      -5.597907     -6.587130      3.450552
  N      -5.540577     -5.261872      4.058481
  Mo     -3.756034     -4.338429      4.270815
  N      -2.509668     -5.158086      5.533514
  C      -1.860368     -6.431938      5.230707
  C      -2.707239     -7.221006      4.238404
  H      -1.725890     -7.047054      6.135730
  H      -0.846194     -6.274379      4.809768
  H      -3.599543     -7.599359      4.756394
  H      -2.148565     -8.088090      3.837674
  H      -6.524907     -6.732690      2.866754
  H      -5.599544     -7.381591      4.222956
  H      -4.564802     -6.163955      1.618721
  H      -4.342516     -7.841545      2.188655
  H      -1.535564     -4.252891      1.044281
  H      -3.259261     -4.596577      0.923305
  H      -1.165138     -5.982899      2.686742
  H      -2.093624     -6.736918      1.360457
  C       0.516366     -2.999023      2.577058
  N      -0.583976     -2.548231      3.430631
  C      -1.933776     -2.422044      2.842036
  C      -1.914691     -1.635211      1.520923
  C      -3.291849     -1.480432      0.923770
  C      -4.366724     -0.986459      1.676321
  C      -5.642162     -0.881832      1.120538
  C      -5.868161     -1.263177     -0.205949
  C      -4.805544     -1.746906     -0.969808
  C      -3.532023     -1.855712     -0.404596
  C      -7.885343     -6.892690      5.861834
  N      -7.048046     -5.706145      5.985386
  C      -6.756335     -4.879001      4.812608
  C      -7.968334     -4.744204      3.880396
  C      -9.171753     -4.011627      4.434486
  C     -10.256256     -3.757309      3.577854
  C     -11.386249     -3.075746      4.027311
  C     -11.455470     -2.630281      5.352397
  C     -10.385252     -2.875649      6.212765
  C      -9.252223     -3.558743      5.759253
  C      -3.798789     -5.496823      8.176624
  N      -3.200053     -4.252933      7.723350
  C      -2.113139     -4.395809      6.765171
  C      -0.830186     -4.933153      7.419275
  C      -0.192398     -3.944406      8.360515
  C      -0.062143     -4.235584      9.725636
  C       0.594342     -3.357909     10.596279
  C       1.133938     -2.164678     10.112573
  C       0.990921     -1.842728      8.753883
  C       0.327850     -2.728513      7.895916
  H       0.362883     -3.977041      2.077630
  H       1.418427     -3.079597      3.201634
  H       0.728279     -2.251878      1.800296
  H      -0.679416     -3.217011      4.200932
  H      -2.493876     -1.822408      3.573124
  H      -1.261383     -2.122500      0.783836
  H      -1.466363     -0.650187      1.732448
  H      -4.209739     -0.691158      2.716140
  H      -6.466139     -0.504522      1.728478
  H      -6.866718     -1.183480     -0.639464
  H      -4.966548     -2.046534     -2.007598
  H      -2.706255     -2.245488     -1.004927
  H      -7.918469     -7.394288      6.840327
  H      -8.919302     -6.602547      5.615312
  H      -7.560125     -7.639949      5.111468
  H      -6.183583     -5.902704      6.491210
  H      -6.520450     -3.874494      5.192438
  H      -7.610058     -4.200484      2.991120
  H      -8.293051     -5.731230      3.512760
  H     -10.207595     -4.099617      2.539592
  H     -12.216349     -2.891099      3.342984
  H     -12.338910     -2.097819      5.708225
  H     -10.428992     -2.535590      7.250754
  H      -8.433227     -3.777342      6.446214
  H      -3.153417     -5.998764      8.919595
  H      -4.002437     -6.220748      7.354967
  H      -4.756769     -5.260199      8.668650
  H      -3.909334     -3.692211      7.240991
  H      -1.900889     -3.368951      6.433835
  H      -0.105326     -5.171750      6.624707
  H      -1.029980     -5.872317      7.956133
  H      -0.474341     -5.171664     10.110232
  H       0.688296     -3.610267     11.654804
  H       1.653411     -1.483925     10.791478
  H       1.398777     -0.912164      8.355147
  H       0.231384     -2.475572      6.833803
  N      -4.351812     -2.860803      5.151253
  H      -4.871424     -2.018600      4.853604
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.559612972931
  N      -2.684941     -3.683545      2.751032
  C      -2.410975     -4.593528      1.637529
  C      -2.123542     -5.986035      2.192079
  N      -3.166030     -6.338770      3.177934
  C      -4.403742     -6.811523      2.532123
  C      -5.582752     -6.615968      3.467751
  N      -5.534862     -5.285298      4.066723
  Mo     -3.761748     -4.337945      4.277376
  N      -2.504574     -5.137755      5.542017
  C      -1.847669     -6.409943      5.248416
  C      -2.688139     -7.213657      4.263883
  H      -1.710112     -7.015660      6.160088
  H      -0.834260     -6.247759      4.827355
  H      -3.575601     -7.598653      4.785356
  H      -2.119802     -8.077372      3.869394
  H      -6.509102     -6.772891      2.885556
  H      -5.578663     -7.404820      4.246264
  H      -4.552055     -6.195658      1.633955
  H      -4.312885     -7.867981      2.213141
  H      -1.545276     -4.265128      1.042977
  H      -3.267693     -4.621549      0.938127
  H      -1.155321     -5.966851      2.713553
  H      -2.066563     -6.746636      1.388902
  C       0.511880     -2.987825      2.560975
  N      -0.584983     -2.514296      3.405475
  C      -1.942722     -2.409063      2.826559
  C      -1.946860     -1.625636      1.504640
  C      -3.334984     -1.477983      0.930782
  C      -4.394791     -0.971726      1.697065
  C      -5.681599     -0.877376      1.166768
  C      -5.933989     -1.281173     -0.147335
  C      -4.886045     -1.775370     -0.925418
  C      -3.600897     -1.874174     -0.385587
  C      -7.905348     -6.917325      5.837574
  N      -7.067495     -5.732683      5.973060
  C      -6.758224     -4.901569      4.810714
  C      -7.957686     -4.752183      3.864684
  C      -9.155649     -3.996126      4.399373
  C     -10.218509     -3.714269      3.524378
  C     -11.342163     -3.011664      3.957526
  C     -11.425408     -2.571238      5.283119
  C     -10.375542     -2.842019      6.160786
  C      -9.249605     -3.546505      5.723999
  C      -3.792668     -5.508106      8.173732
  N      -3.189984     -4.252726      7.740328
  C      -2.112208     -4.379892      6.772426
  C      -0.821242     -4.921096      7.415610
  C      -0.171674     -3.947714      8.367298
  C      -0.025272     -4.260583      9.727407
  C       0.635622     -3.393063     10.602491
  C       1.165224     -2.189887     10.129056
  C       1.011618     -1.853149      8.778476
  C       0.344975     -2.724884      7.913501
  H       0.364508     -3.988193      2.102950
  H       1.420133     -3.037774      3.180188
  H       0.711984     -2.267853      1.754001
  H      -0.668331     -3.152610      4.201371
  H      -2.503205     -1.815026      3.564447
  H      -1.303721     -2.114325      0.758768
  H      -1.496172     -0.640174      1.705178
  H      -4.213551     -0.657440      2.726598
  H      -6.494393     -0.490977      1.784671
  H      -6.941573     -1.210570     -0.561224
  H      -5.068170     -2.090761     -1.954127
  H      -2.786423     -2.273463     -0.995345
  H      -7.953605     -7.417869      6.815047
  H      -8.934866     -6.626121      5.577163
  H      -7.569455     -7.665628      5.093740
  H      -6.216385     -5.930438      6.500314
  H      -6.522119     -3.900646      5.200513
  H      -7.580966     -4.218876      2.976992
  H      -8.293753     -5.734786      3.497059
  H     -10.158641     -4.052647      2.485514
  H     -12.156440     -2.806568      3.260007
  H     -12.303721     -2.022847      5.625799
  H     -10.430534     -2.504890      7.199072
  H      -8.444490     -3.781163      6.421718
  H      -3.144305     -6.030627      8.896609
  H      -4.010326     -6.211764      7.339679
  H      -4.740190     -5.283202      8.683297
  H      -3.898446     -3.665919      7.287151
  H      -1.905473     -3.348975      6.447758
  H      -0.099648     -5.148693      6.615547
  H      -1.016476     -5.866159      7.947371
  H      -0.435848     -5.203100     10.101209
  H       0.739264     -3.659417     11.657482
  H       1.691959     -1.514539     10.807400
  H       1.417876     -0.912035      8.400453
  H       0.235202     -2.453902      6.857250
  N      -4.381699     -2.859842      5.144921
  H      -4.928777     -2.053804      4.795528
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.560078991260
  N      -2.680726     -3.697440      2.740240
  C      -2.415966     -4.603247      1.623291
  C      -2.123282     -5.997360      2.172556
  N      -3.160852     -6.355037      3.163842
  C      -4.400362     -6.828469      2.523654
  C      -5.575260     -6.630512      3.463152
  N      -5.520162     -5.299633      4.061261
  Mo     -3.745334     -4.355052      4.274324
  N      -2.490252     -5.162065      5.537216
  C      -1.833948     -6.432556      5.234719
  C      -2.676704     -7.230821      4.247682
  H      -1.696085     -7.044732      6.141771
  H      -0.820656     -6.267699      4.815169
  H      -3.561777     -7.620214      4.770027
  H      -2.106660     -8.092164      3.849920
  H      -6.504191     -6.783860      2.884532
  H      -5.571610     -7.418302      4.242572
  H      -4.552358     -6.211823      1.626503
  H      -4.310860     -7.884732      2.203972
  H      -1.557182     -4.272334      1.019564
  H      -3.279870     -4.630521      0.933115
  H      -1.152264     -5.979839      2.688404
  H      -2.069044     -6.753939      1.365899
  C       0.509588     -3.020580      2.531186
  N      -0.574159     -2.530520      3.385168
  C      -1.937334     -2.428896      2.825219
  C      -1.955118     -1.628593      1.514696
  C      -3.351537     -1.471750      0.962907
  C      -4.393863     -0.956880      1.748069
  C      -5.690880     -0.859367      1.242713
  C      -5.970158     -1.265037     -0.065190
  C      -4.939366     -1.764989     -0.862556
  C      -3.644291     -1.868750     -0.347503
  C      -7.897527     -6.930397      5.830788
  N      -7.056012     -5.747772      5.967887
  C      -6.742574     -4.915017      4.807902
  C      -7.940934     -4.761782      3.861733
  C      -9.128189     -3.983733      4.388318
  C     -10.185044     -3.691185      3.510287
  C     -11.295896     -2.960742      3.933284
  C     -11.371617     -2.502683      5.251333
  C     -10.328040     -2.786201      6.132958
  C      -9.215422     -3.519185      5.706448
  C      -3.770623     -5.553864      8.184616
  N      -3.178256     -4.295372      7.744309
  C      -2.103060     -4.408514      6.770070
  C      -0.804226     -4.926752      7.414201
  C      -0.188148     -3.933175      8.363876
  C      -0.055122     -4.226770      9.728983
  C       0.570872     -3.334801     10.602311
  C       1.076648     -2.123932     10.122999
  C       0.935052     -1.804935      8.766512
  C       0.304089     -2.704466      7.903053
  H       0.353937     -4.027446      2.095227
  H       1.428305     -3.063155      3.135222
  H       0.698426     -2.316905      1.708149
  H      -0.645584     -3.157453      4.191965
  H      -2.493097     -1.850358      3.578686
  H      -1.322919     -2.108596      0.753512
  H      -1.499103     -0.647185      1.723032
  H      -4.188967     -0.640458      2.772260
  H      -6.490528     -0.468258      1.874838
  H      -6.985396     -1.191587     -0.460302
  H      -5.143155     -2.080149     -1.886919
  H      -2.843169     -2.273469     -0.971395
  H      -7.944741     -7.432594      6.807083
  H      -8.926446     -6.636719      5.573171
  H      -7.563616     -7.677816      5.085813
  H      -6.205882     -5.952258      6.492675
  H      -6.503825     -3.916092      5.200484
  H      -7.559723     -4.243067      2.967664
  H      -8.289367     -5.744433      3.505963
  H     -10.129798     -4.040491      2.476072
  H     -12.104903     -2.744755      3.231950
  H     -12.239236     -1.930364      5.585613
  H     -10.377047     -2.434891      7.164642
  H      -8.414238     -3.760703      6.405828
  H      -3.107107     -6.073213      8.891920
  H      -4.003398     -6.255471      7.356760
  H      -4.706824     -5.333544      8.712579
  H      -3.897605     -3.706558      7.303770
  H      -1.909269     -3.373782      6.448101
  H      -0.076426     -5.139633      6.615858
  H      -0.977783     -5.873392      7.948093
  H      -0.446534     -5.174753     10.106708
  H       0.666749     -3.587421     11.660364
  H       1.574822     -1.426167     10.799036
  H       1.322527     -0.856992      8.389087
  H       0.204520     -2.451667      6.842272
  N      -4.363761     -2.883357      5.149545
  H      -4.926596     -2.085710      4.807773
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.301588235284
  N      -2.666366     -3.711833      2.741015
  C      -2.407110     -4.617806      1.623740
  C      -2.112277     -6.011889      2.172687
  N      -3.150398     -6.369253      3.163690
  C      -4.387591     -6.849336      2.525561
  C      -5.562168     -6.648475      3.465074
  N      -5.505488     -5.316624      4.060011
  Mo     -3.734073     -4.366947      4.277207
  N      -2.477274     -5.172853      5.540726
  C      -1.822711     -6.444525      5.236147
  C      -2.666343     -7.242930      4.249950
  H      -1.685448     -7.058697      6.141724
  H      -0.809158     -6.280083      4.817815
  H      -3.550514     -7.631702      4.773806
  H      -2.095946     -8.105691      3.855130
  H      -6.492079     -6.801132      2.888797
  H      -5.558092     -7.433659      4.246715
  H      -4.541632     -6.237575      1.625584
  H      -4.295842     -7.906590      2.210846
  H      -1.553006     -4.286828      1.013203
  H      -3.274957     -4.647354      0.939397
  H      -1.142637     -5.992617      2.689940
  H      -2.054673     -6.769169      1.367633
  C       0.506050     -3.063449      2.497682
  N      -0.556092     -2.540826      3.358346
  C      -1.924632     -2.444247      2.823288
  C      -1.970655     -1.634827      1.518584
  C      -3.382773     -1.468968      1.011364
  C      -4.387997     -0.927820      1.827435
  C      -5.701472     -0.824896      1.370632
  C      -6.035545     -1.251038      0.080875
  C      -5.043305     -1.776741     -0.747483
  C      -3.730553     -1.884932     -0.281145
  C      -7.916248     -6.941991      5.792208
  N      -7.068571     -5.766074      5.946218
  C      -6.732459     -4.926911      4.797518
  C      -7.918610     -4.759602      3.837451
  C      -9.101414     -3.965580      4.349096
  C     -10.139641     -3.654053      3.455769
  C     -11.246200     -2.908873      3.863673
  C     -11.336123     -2.454295      5.182187
  C     -10.311285     -2.757078      6.079613
  C      -9.203425     -3.506216      5.668551
  C      -3.747029     -5.584392      8.188347
  N      -3.161065     -4.321769      7.755552
  C      -2.091726     -4.421875      6.772958
  C      -0.782214     -4.922816      7.410141
  C      -0.182694     -3.916436      8.354631
  C      -0.065382     -4.192140      9.723831
  C       0.533897     -3.280737     10.594318
  C       1.029351     -2.068786     10.106893
  C       0.907189     -1.768911      8.743736
  C       0.301605     -2.688481      7.883124
  H       0.336529     -4.083394      2.101821
  H       1.437867     -3.091198      3.081542
  H       0.678388     -2.390025      1.646992
  H      -0.612479     -3.137842      4.188515
  H      -2.472432     -1.874170      3.587704
  H      -1.362930     -2.111049      0.735221
  H      -1.504524     -0.656835      1.722255
  H      -4.138729     -0.596106      2.837892
  H      -6.470813     -0.413233      2.025968
  H      -7.063049     -1.172484     -0.276954
  H      -5.290912     -2.106624     -1.758729
  H      -2.959092     -2.309538     -0.928295
  H      -7.977129     -7.449903      6.765758
  H      -8.940595     -6.639472      5.524508
  H      -7.576985     -7.687648      5.047528
  H      -6.228364     -5.976762      6.484180
  H      -6.491278     -3.932902      5.199796
  H      -7.520821     -4.250080      2.945277
  H      -8.277301     -5.739470      3.483047
  H     -10.072891     -4.000204      2.421231
  H     -12.040266     -2.678438      3.150221
  H     -12.200174     -1.869781      5.505366
  H     -10.371750     -2.408846      7.111881
  H      -8.418444     -3.763552      6.381823
  H      -3.062424     -6.119882      8.864220
  H      -4.006490     -6.269147      7.352742
  H      -4.666010     -5.369251      8.750363
  H      -3.885091     -3.724220      7.337412
  H      -1.911271     -3.384648      6.453133
  H      -0.056542     -5.126701      6.607717
  H      -0.940157     -5.870529      7.944007
  H      -0.448385     -5.140461     10.108371
  H       0.617518     -3.519075     11.656373
  H       1.504763     -1.353530     10.780452
  H       1.289984     -0.821867      8.361536
  H       0.217237     -2.454583      6.816771
  N      -4.348974     -2.891449      5.146320
  H      -4.924490     -2.106623      4.797306
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.560709740203
  N      -2.651851     -3.726356      2.741694
  C      -2.398282     -4.632496      1.624052
  C      -2.101125     -6.026516      2.172487
  N      -3.139760     -6.383713      3.163134
  C      -4.374503     -6.870900      2.527287
  C      -5.548683     -6.667241      3.466955
  N      -5.490530     -5.334438      4.058675
  Mo     -3.722908     -4.379031      4.279835
  N      -2.463911     -5.183564      5.543722
  C      -1.811064     -6.456408      5.237007
  C      -2.655602     -7.255110      4.251853
  H      -1.674254     -7.072581      6.141057
  H      -0.797305     -6.292299      4.819833
  H      -3.538719     -7.643328      4.777394
  H      -2.084764     -8.119291      3.860095
  H      -6.479669     -6.819281      2.893256
  H      -5.543899     -7.449760      4.250838
  H      -4.530858     -6.264262      1.624418
  H      -4.280272     -7.929130      2.217710
  H      -1.549139     -4.301379      1.006454
  H      -3.270206     -4.664418      0.945843
  H      -1.132940     -6.005342      2.691210
  H      -2.039903     -6.784460      1.369074
  C       0.500849     -3.108812      2.464030
  N      -0.538245     -2.551361      3.329787
  C      -1.911804     -2.459705      2.820653
  C      -1.987806     -1.641345      1.522437
  C      -3.415133     -1.467114      1.062917
  C      -4.380016     -0.898867      1.909517
  C      -5.709016     -0.790729      1.504789
  C      -6.100268     -1.238427      0.237194
  C      -5.149939     -1.790761     -0.621674
  C      -3.820364     -1.903138     -0.207707
  C      -7.935776     -6.954285      5.750630
  N      -7.082060     -5.785491      5.922801
  C      -6.722229     -4.939594      4.786595
  C      -7.895233     -4.757342      3.812167
  C      -9.072816     -3.946655      4.308529
  C     -10.090961     -3.615119      3.399680
  C     -11.192439     -2.854466      3.792122
  C     -11.297203     -2.403630      5.110985
  C     -10.292588     -2.726724      6.024451
  C      -9.190363     -3.492817      5.629197
  C      -3.722447     -5.615841      8.191284
  N      -3.143168     -4.348943      7.766542
  C      -2.080142     -4.435239      6.775279
  C      -0.759624     -4.917677      7.405113
  C      -0.177792     -3.898179      8.344154
  C      -0.077386     -4.155444      9.717162
  C       0.493479     -3.224166     10.584101
  C       0.978214     -2.011276     10.088144
  C       0.876980     -1.731070      8.718637
  C       0.298387     -2.671201      7.861564
  H       0.317660     -4.141047      2.111586
  H       1.445981     -3.121586      3.025901
  H       0.655071     -2.468514      1.585557
  H      -0.578555     -3.115422      4.183554
  H      -2.450767     -1.898094      3.596251
  H      -1.406459     -2.113505      0.716698
  H      -1.511811     -0.666841      1.720105
  H      -4.084411     -0.551037      2.903019
  H      -6.445477     -0.357815      2.182885
  H      -7.139306     -1.154889     -0.080713
  H      -5.443325     -2.136152     -1.616693
  H      -3.081059     -2.348254     -0.877735
  H      -8.011080     -7.468320      6.720977
  H      -8.955139     -6.642519      5.472401
  H      -7.590717     -7.697935      5.006234
  H      -6.252660     -6.002638      6.474586
  H      -6.478767     -3.950914      5.199291
  H      -7.480242     -4.257492      2.922310
  H      -8.264843     -5.733964      3.458802
  H     -10.012163     -3.957883      2.364926
  H     -11.970415     -2.608799      3.066377
  H     -12.157057     -1.806317      5.422820
  H     -10.365038     -2.381776      7.057204
  H      -8.422890     -3.766795      6.356558
  H      -3.016720     -6.167556      8.833070
  H      -4.010028     -6.282657      7.348732
  H      -4.622253     -5.407105      8.788387
  H      -3.871797     -3.742700      7.372211
  H      -1.913884     -3.395513      6.457802
  H      -0.036321     -5.112185      6.598440
  H      -0.901101     -5.866259      7.938942
  H      -0.451670     -5.103947     10.108872
  H       0.563869     -3.447760     11.649956
  H       1.429406     -1.278166     10.758532
  H       1.254933     -0.785010      8.331513
  H       0.230508     -2.456868      6.790001
  N      -4.334385     -2.899804      5.142709
  H      -4.923343     -2.129094      4.786028
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.561099062222
  N      -2.648584     -3.738102      2.728269
  C      -2.402143     -4.647010      1.611922
  C      -2.098024     -6.039055      2.162913
  N      -3.131287     -6.395540      3.159907
  C      -4.369177     -6.886607      2.531769
  C      -5.541493     -6.675508      3.473621
  N      -5.480166     -5.339729      4.059459
  Mo     -3.710983     -4.387102      4.274468
  N      -2.452163     -5.191397      5.539084
  C      -1.793867     -6.460643      5.230841
  C      -2.639311     -7.263570      4.248722
  H      -1.650711     -7.076410      6.135119
  H      -0.782176     -6.290720      4.810057
  H      -3.519114     -7.654965      4.777886
  H      -2.066461     -8.126069      3.856217
  H      -6.474413     -6.827720      2.902652
  H      -5.536638     -7.454523      4.261375
  H      -4.528579     -6.286776      1.624450
  H      -4.276893     -7.947189      2.229414
  H      -1.559489     -4.316008      0.984844
  H      -3.280270     -4.684450      0.940794
  H      -1.126946     -6.015165      2.677289
  H      -2.039628     -6.799311      1.361362
  C       0.498199     -3.132889      2.435867
  N      -0.530494     -2.555389      3.302211
  C      -1.908634     -2.471066      2.805261
  C      -1.998796     -1.649781      1.507890
  C      -3.432101     -1.469835      1.068658
  C      -4.379170     -0.887707      1.926388
  C      -5.714412     -0.774376      1.543720
  C      -6.129701     -1.229545      0.286594
  C      -5.196396     -1.793135     -0.584089
  C      -3.860660     -1.911292     -0.191746
  C      -7.934403     -6.942641      5.752779
  N      -7.073711     -5.778872      5.922095
  C      -6.710290     -4.937216      4.784536
  C      -7.881093     -4.753094      3.808041
  C      -9.051855     -3.931356      4.299665
  C     -10.063099     -3.588947      3.387042
  C     -11.158388     -2.818955      3.776259
  C     -11.263634     -2.369389      5.095785
  C     -10.265254     -2.701983      6.012335
  C      -9.169052     -3.476937      5.619938
  C      -3.695922     -5.654243      8.186537
  N      -3.134450     -4.377212      7.767738
  C      -2.074434     -4.444052      6.772496
  C      -0.745561     -4.912551      7.395354
  C      -0.185282     -3.891124      8.350091
  C      -0.087881     -4.155347      9.722392
  C       0.453081     -3.213603     10.600281
  C       0.906341     -1.984691     10.115508
  C       0.807096     -1.701566      8.748739
  C       0.263467     -2.649283      7.878580
  H       0.311033     -4.174102      2.111160
  H       1.452583     -3.132238      2.983789
  H       0.638668     -2.513051      1.539478
  H      -0.561610     -3.101311      4.168648
  H      -2.443342     -1.911486      3.585321
  H      -1.429283     -2.121345      0.693371
  H      -1.518410     -0.676806      1.701763
  H      -4.064869     -0.534713      2.912260
  H      -6.437150     -0.331928      2.230953
  H      -7.174589     -1.143121     -0.014211
  H      -5.508436     -2.143514     -1.571517
  H      -3.134671     -2.364844     -0.871002
  H      -8.010490     -7.454750      6.723028
  H      -8.951515     -6.625319      5.476229
  H      -7.595250     -7.689570      5.009298
  H      -6.245330     -6.000747      6.473274
  H      -6.463777     -3.947940      5.194169
  H      -7.462618     -4.261853      2.915314
  H      -8.257686     -5.729586      3.461754
  H      -9.983662     -3.930832      2.351751
  H     -11.931142     -2.565425      3.047847
  H     -12.118422     -1.765045      5.405484
  H     -10.337887     -2.357234      7.045296
  H      -8.406437     -3.756784      6.349090
  H      -2.975556     -6.206504      8.809809
  H      -3.989374     -6.312648      7.340280
  H      -4.586297     -5.462690      8.802542
  H      -3.868941     -3.773875      7.381577
  H      -1.922501     -3.400352      6.460819
  H      -0.023005     -5.081859      6.581229
  H      -0.869379     -5.873341      7.916357
  H      -0.439963     -5.115382     10.105682
  H       0.522905     -3.440731     11.665660
  H       1.331103     -1.241933     10.794763
  H       1.160752     -0.741719      8.372068
  H       0.195213     -2.428577      6.808798
  N      -4.319732     -2.904673      5.133385
  H      -4.919239     -2.140373      4.778167
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661739-rVEY/orca E -5812.561481260298
  N      -2.642333     -3.749170      2.722706
  C      -2.403470     -4.660766      1.607593
  C      -2.091305     -6.050432      2.161257
  N      -3.118750     -6.405724      3.164446
  C      -4.358133     -6.902730      2.542779
  C      -5.530193     -6.685536      3.484345
  N      -5.468367     -5.347511      4.064481
  Mo     -3.700555     -4.393345      4.275061
  N      -2.440954     -5.195960      5.541571
  C      -1.777434     -6.462289      5.233673
  C      -2.621036     -7.270221      4.253733
  H      -1.629900     -7.076723      6.138478
  H      -0.767289     -6.288240      4.810572
  H      -3.498953     -7.663016      4.785368
  H      -2.046749     -8.131872      3.861887
  H      -6.463894     -6.838572      2.914431
  H      -5.525836     -7.461344      4.275566
  H      -4.520212     -6.311960      1.629887
  H      -4.265695     -7.965948      2.249886
  H      -1.567947     -4.329435      0.971177
  H      -3.288014     -4.704846      0.944379
  H      -1.117831     -6.021997      2.671797
  H      -2.035213     -6.814163      1.362761
  C       0.491888     -3.164935      2.408848
  N      -0.520509     -2.554898      3.271310
  C      -1.904663     -2.478198      2.792404
  C      -2.017492     -1.655288      1.496057
  C      -3.459473     -1.468492      1.088912
  C      -4.379278     -0.863477      1.961317
  C      -5.723400     -0.743608      1.613124
  C      -6.175135     -1.214014      0.374973
  C      -5.268406     -1.797875     -0.511392
  C      -3.923877     -1.923332     -0.152738
  C      -7.941969     -6.934849      5.742892
  N      -7.074600     -5.777698      5.915607
  C      -6.701453     -4.937894      4.780035
  C      -7.864151     -4.751007      3.793783
  C      -9.032507     -3.918754      4.273196
  C     -10.028543     -3.562900      3.348773
  C     -11.121322     -2.784296      3.726963
  C     -11.239443     -2.339119      5.047435
  C     -10.255932     -2.683770      5.975182
  C      -9.161883     -3.466820      5.593372
  C      -3.673261     -5.695773      8.181256
  N      -3.124677     -4.407271      7.778030
  C      -2.067717     -4.450657      6.778055
  C      -0.727813     -4.906539      7.389980
  C      -0.178457     -3.883023      8.350239
  C      -0.097494     -4.142897      9.724219
  C       0.419787     -3.190756     10.607284
  C       0.863679     -1.957850     10.124160
  C       0.783473     -1.682798      8.755213
  C       0.266804     -2.638263      7.879257
  H       0.299609     -4.219137      2.128078
  H       1.457393     -3.141964      2.936777
  H       0.611919     -2.579166      1.486278
  H      -0.539904     -3.068018      4.157049
  H      -2.431276     -1.917640      3.577380
  H      -1.466480     -2.128319      0.669407
  H      -1.530498     -0.683513      1.682954
  H      -4.037290     -0.498734      2.933426
  H      -6.424405     -0.283820      2.312556
  H      -7.227764     -1.123201      0.101177
  H      -5.608649     -2.159563     -1.484793
  H      -3.218896     -2.391826     -0.844634
  H      -8.022814     -7.447351      6.711319
  H      -8.955571     -6.610646      5.465036
  H      -7.607226     -7.683437      4.998936
  H      -6.250352     -6.002905      6.471140
  H      -6.454691     -3.948897      5.189919
  H      -7.435527     -4.268460      2.901329
  H      -8.245099     -5.727203      3.451721
  H      -9.938780     -3.901096      2.312601
  H     -11.881901     -2.520693      2.989221
  H     -12.092028     -1.727890      5.348883
  H     -10.338049     -2.341662      7.008807
  H      -8.411285     -3.753532      6.330724
  H      -2.937665     -6.258210      8.777163
  H      -3.981612     -6.337026      7.327650
  H      -4.549721     -5.524163      8.820708
  H      -3.863000     -3.804691      7.403938
  H      -1.931529     -3.402387      6.474427
  H      -0.009314     -5.059103      6.568965
  H      -0.838379     -5.873954      7.901968
  H      -0.444716     -5.105558     10.107191
  H       0.476588     -3.412766     11.675027
  H       1.267663     -1.207575     10.807786
  H       1.131463     -0.720065      8.377870
  H       0.211363     -2.420951      6.808220
  N      -4.307248     -2.904687      5.124406
  H      -4.919750     -2.151189      4.766867
