93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.741022714392
  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
  N      -5.215588     -2.216725      6.048861
  H      -5.714859     -2.482908      6.897651
  H      -5.065408     -1.222124      5.879203
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.780372217722
  N      -3.333749     -3.576009      2.183207
  C      -2.865658     -4.540652      1.191426
  C      -2.540103     -5.925159      1.807380
  N      -3.570202     -6.310612      2.793097
  C      -4.802528     -6.815110      2.145200
  C      -6.035139     -6.546368      3.025680
  N      -5.969116     -5.179813      3.540192
  Mo     -4.119082     -4.486648      3.826353
  N      -3.162382     -5.372060      5.455818
  C      -2.369441     -6.488336      4.981427
  C      -3.064913     -7.226875      3.823645
  H      -2.188261     -7.247437      5.768707
  H      -1.355410     -6.164586      4.647351
  H      -3.930880     -7.748649      4.248708
  H      -2.379105     -7.977323      3.402939
  H      -6.935119     -6.714080      2.413390
  H      -6.066510     -7.283142      3.854300
  H      -4.931020     -6.244076      1.220498
  H      -4.724628     -7.885100      1.905071
  H      -1.980063     -4.188642      0.647056
  H      -3.666439     -4.665485      0.445397
  H      -1.581524     -5.864720      2.340085
  H      -2.443061     -6.678684      1.009544
  C      -0.379249     -3.392243      3.780760
  N      -1.773207     -2.982407      3.906051
  C      -2.465405     -2.522582      2.635926
  C      -1.528350     -1.861397      1.609261
  C      -2.259930     -1.283791      0.417882
  C      -3.420248     -0.520701      0.567096
  C      -4.040093      0.051266     -0.539196
  C      -3.505481     -0.123579     -1.811717
  C      -2.352431     -0.883058     -1.972633
  C      -1.738316     -1.459352     -0.865392
  C      -6.679011     -6.166547      6.660927
  N      -6.287632     -4.978408      5.909073
  C      -6.927048     -4.784269      4.565293
  C      -8.335871     -5.362969      4.435054
  C      -9.345116     -4.698802      5.344649
  C     -10.670368     -5.146319      5.308189
  C     -11.642677     -4.564341      6.110802
  C     -11.303878     -3.522651      6.970946
  C      -9.989138     -3.075526      7.020972
  C      -9.013284     -3.657687      6.212986
  C      -3.913919     -4.625925      8.593146
  N      -3.606218     -3.919644      7.359453
  C      -2.558704     -4.475009      6.473164
  C      -1.367338     -5.052801      7.242609
  C      -0.659701     -4.041673      8.119856
  C      -0.033744     -4.477539      9.291769
  C       0.678647     -3.598553     10.099426
  C       0.775342     -2.256259      9.747753
  C       0.152418     -1.807541      8.588540
  C      -0.556807     -2.691280      7.778152
  H      -0.189296     -4.123410      2.975584
  H      -0.060920     -3.841454      4.728769
  H       0.258073     -2.519512      3.605896
  H      -2.345656     -3.841885      3.933935
  H      -3.124834     -1.716480      2.990814
  H      -0.760058     -2.561788      1.261845
  H      -1.009852     -1.052880      2.145406
  H      -3.842677     -0.370111      1.561093
  H      -4.937557      0.643721     -0.395263
  H      -3.984708      0.336331     -2.668825
  H      -1.921815     -1.023244     -2.958176
  H      -0.830975     -2.042890     -0.991999
  H      -6.080659     -6.200864      7.578000
  H      -7.731719     -6.106669      6.955516
  H      -6.522836     -7.118118      6.122539
  H      -5.338115     -5.123892      5.533274
  H      -7.036624     -3.690797      4.461233
  H      -8.631985     -5.212884      3.387780
  H      -8.340374     -6.444976      4.618429
  H     -10.931605     -5.957208      4.634883
  H     -12.665106     -4.923334      6.063724
  H     -12.057133     -3.062703      7.600843
  H      -9.703729     -2.268924      7.688947
  H      -7.976746     -3.304588      6.280358
  H      -3.134829     -4.468310      9.348868
  H      -4.046256     -5.717823      8.466273
  H      -4.857525     -4.209029      8.975885
  H      -4.407156     -4.090699      6.764875
  H      -2.202208     -3.606973      5.938239
  H      -0.638852     -5.440707      6.513013
  H      -1.669149     -5.913311      7.858012
  H      -0.106910     -5.526899      9.563413
  H       1.160531     -3.965997     10.999064
  H       1.332505     -1.563047     10.368181
  H       0.215656     -0.764151      8.296569
  H      -1.034851     -2.315231      6.870979
  N      -4.851608     -2.983423      5.072621
  N      -5.292171     -2.075021      5.817503
  H      -5.802178     -2.300773      6.680460
  H      -5.156839     -1.084656      5.592447
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.805890443788
  N      -3.340950     -3.547263      2.160038
  C      -2.865110     -4.527114      1.173898
  C      -2.522706     -5.893923      1.806224
  N      -3.552535     -6.276847      2.809389
  C      -4.792440     -6.801020      2.173314
  C      -6.017173     -6.536451      3.059974
  N      -5.963300     -5.158126      3.555093
  Mo     -4.113461     -4.441085      3.822277
  N      -3.146155     -5.309167      5.458581
  C      -2.341895     -6.436325      4.995280
  C      -3.035919     -7.183335      3.855161
  H      -2.163114     -7.192019      5.786784
  H      -1.329492     -6.115824      4.662298
  H      -3.903367     -7.703544      4.286100
  H      -2.350334     -7.939735      3.435704
  H      -6.921308     -6.722467      2.453891
  H      -6.035649     -7.265914      3.896004
  H      -4.930868     -6.243650      1.237502
  H      -4.702384     -7.875833      1.944982
  H      -1.983822     -4.174149      0.617190
  H      -3.667696     -4.674895      0.429682
  H      -1.561956     -5.820040      2.336376
  H      -2.422457     -6.663144      1.018076
  C      -0.356315     -3.289372      3.738537
  N      -1.760819     -2.894127      3.863164
  C      -2.477224     -2.469056      2.588261
  C      -1.554043     -1.823367      1.543856
  C      -2.290809     -1.278737      0.340165
  C      -3.460969     -0.517118      0.469765
  C      -4.089174      0.022858     -0.653688
  C      -3.554938     -0.182670     -1.927834
  C      -2.392245     -0.940682     -2.070637
  C      -1.769847     -1.484216     -0.944571
  C      -6.704357     -6.148522      6.702110
  N      -6.312574     -4.954175      5.947742
  C      -6.938362     -4.765724      4.586218
  C      -8.336013     -5.363584      4.445819
  C      -9.366190     -4.716034      5.350806
  C     -10.692390     -5.174770      5.295505
  C     -11.684554     -4.607609      6.094203
  C     -11.365981     -3.568374      6.972717
  C     -10.050744     -3.110290      7.044597
  C      -9.055676     -3.676953      6.240497
  C      -3.915437     -4.635673      8.594932
  N      -3.581514     -3.876067      7.392005
  C      -2.529363     -4.434895      6.501023
  C      -1.368460     -5.067402      7.274218
  C      -0.640497     -4.104904      8.189918
  C      -0.048126     -4.592833      9.364442
  C       0.682533     -3.756345     10.209508
  C       0.832027     -2.404466      9.893624
  C       0.242703     -1.904220      8.731349
  C      -0.484448     -2.745542      7.885117
  H      -0.151005     -4.036616      2.946819
  H      -0.025892     -3.713832      4.696916
  H       0.264612     -2.405728      3.542298
  H      -2.308817     -3.764794      3.913146
  H      -3.147494     -1.665427      2.935459
  H      -0.779018     -2.525979      1.206373
  H      -1.036805     -0.998062      2.059777
  H      -3.885229     -0.342788      1.459820
  H      -4.996042      0.615044     -0.525257
  H      -4.041984      0.251502     -2.801479
  H      -1.961310     -1.105862     -3.058897
  H      -0.854698     -2.068866     -1.058838
  H      -6.116502     -6.175478      7.629311
  H      -7.764223     -6.094380      6.984896
  H      -6.536884     -7.106639      6.172494
  H      -5.351731     -5.094688      5.585096
  H      -7.060778     -3.676521      4.474145
  H      -8.625331     -5.217248      3.392632
  H      -8.334731     -6.449566      4.626010
  H     -10.941864     -5.985359      4.607684
  H     -12.708846     -4.977024      6.030225
  H     -12.136641     -3.120496      7.600908
  H      -9.782601     -2.305911      7.731130
  H      -8.023763     -3.321317      6.331991
  H      -3.134638     -4.534331      9.362800
  H      -4.082201     -5.719809      8.424094
  H      -4.852298     -4.207091      8.987892
  H      -4.401014     -3.983209      6.786733
  H      -2.133697     -3.553968      5.987021
  H      -0.640135     -5.460716      6.547050
  H      -1.709452     -5.933462      7.863042
  H      -0.162459     -5.650616      9.611079
  H       1.137693     -4.164091     11.113014
  H       1.404095     -1.743828     10.545880
  H       0.347761     -0.850644      8.468672
  H      -0.934878     -2.331601      6.981397
  N      -4.796277     -2.945961      4.970066
  N      -5.231618     -2.007038      5.693879
  H      -5.738144     -2.208317      6.571781
  H      -5.097102     -1.018311      5.444028
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.824017279021
  N      -3.348326     -3.524094      2.148203
  C      -2.865089     -4.514591      1.167648
  C      -2.508173     -5.867491      1.811122
  N      -3.536184     -6.249641      2.825968
  C      -4.780791     -6.787964      2.200988
  C      -5.998955     -6.528065      3.094192
  N      -5.958532     -5.141246      3.572628
  Mo     -4.110346     -4.403656      3.825104
  N      -3.132626     -5.257772      5.457327
  C      -2.317940     -6.391315      5.003689
  C      -3.011116     -7.149810      3.880007
  H      -2.138020     -7.139208      5.801299
  H      -1.308081     -6.070872      4.669114
  H      -3.878568     -7.669694      4.313359
  H      -2.327596     -7.909252      3.459220
  H      -6.905112     -6.729315      2.494075
  H      -6.006598     -7.251680      3.935499
  H      -4.926801     -6.242372      1.257959
  H      -4.679024     -7.864604      1.980899
  H      -1.989248     -4.159376      0.601770
  H      -3.667675     -4.679883      0.425882
  H      -1.547205     -5.783884      2.340645
  H      -2.404953     -6.648162      1.032694
  C      -0.336031     -3.189936      3.705561
  N      -1.749114     -2.813040      3.830856
  C      -2.489917     -2.422597      2.553370
  C      -1.579651     -1.792096      1.492868
  C      -2.320765     -1.279033      0.279261
  C      -3.497467     -0.521330      0.391871
  C      -4.132948     -0.012882     -0.743549
  C      -3.601243     -0.246549     -2.015972
  C      -2.432237     -1.000790     -2.142905
  C      -1.802626     -1.511936     -1.003705
  C      -6.735526     -6.131857      6.726462
  N      -6.333157     -4.934674      5.978269
  C      -6.942793     -4.750006      4.604482
  C      -8.333026     -5.356951      4.454353
  C      -9.373260     -4.719731      5.356126
  C     -10.701120     -5.175647      5.285714
  C     -11.701453     -4.615926      6.082467
  C     -11.389892     -3.586258      6.976949
  C     -10.072546     -3.132004      7.066180
  C      -9.070161     -3.690910      6.263819
  C      -3.900005     -4.681819      8.588007
  N      -3.564373     -3.863281      7.419769
  C      -2.510519     -4.403002      6.517873
  C      -1.368412     -5.068999      7.288942
  C      -0.634816     -4.146376      8.240483
  C      -0.068659     -4.678304      9.410393
  C       0.666091     -3.879255     10.290207
  C       0.846624     -2.520652     10.015074
  C       0.283566     -1.976450      8.857242
  C      -0.447636     -2.780388      7.977310
  H      -0.116722     -3.949226      2.927325
  H       0.004269     -3.590387      4.671813
  H       0.267820     -2.297636      3.490018
  H      -2.269839     -3.696149      3.901882
  H      -3.170417     -1.624484      2.894148
  H      -0.799331     -2.495239      1.165252
  H      -1.063965     -0.952281      1.988487
  H      -3.922437     -0.325424      1.377803
  H      -5.045581      0.576409     -0.629256
  H      -4.094600      0.161442     -2.900746
  H      -2.003406     -1.188724     -3.129953
  H      -0.883251     -2.095342     -1.107141
  H      -6.163916     -6.157766      7.664366
  H      -7.801170     -6.077829      6.991280
  H      -6.559894     -7.092424      6.202614
  H      -5.365191     -5.075283      5.638720
  H      -7.069733     -3.663214      4.486340
  H      -8.619447     -5.209962      3.399103
  H      -8.330831     -6.444723      4.630612
  H     -10.948362     -5.979263      4.585903
  H     -12.727237     -4.983839      6.005074
  H     -12.167766     -3.145185      7.604102
  H      -9.811706     -2.336644      7.768398
  H      -8.037500     -3.344770      6.374135
  H      -3.115653     -4.620393      9.357428
  H      -4.075643     -5.756251      8.369738
  H      -4.834906     -4.268071      9.001793
  H      -4.393243     -3.922731      6.817165
  H      -2.095291     -3.510293      6.025899
  H      -0.636906     -5.455642      6.561975
  H      -1.732176     -5.943561      7.851059
  H      -0.207256     -5.741344      9.627997
  H       1.099813     -4.320746     11.190517
  H       1.421596     -1.889699     10.696380
  H       0.413554     -0.916108      8.628480
  H      -0.877975     -2.333113      7.080227
  N      -4.744085     -2.938053      4.872736
  N      -5.177889     -1.972922      5.578907
  H      -5.679826     -2.151440      6.462810
  H      -5.043702     -0.990823      5.307815
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.835262307134
  N      -3.349468     -3.503233      2.150487
  C      -2.870028     -4.500028      1.170332
  C      -2.505249     -5.846750      1.815771
  N      -3.526782     -6.226544      2.841201
  C      -4.779682     -6.765512      2.232191
  C      -5.985159     -6.507245      3.141206
  N      -5.951321     -5.116085      3.608712
  Mo     -4.100038     -4.369104      3.841321
  N      -3.105234     -5.221478      5.454145
  C      -2.291757     -6.361358      5.001538
  C      -2.995552     -7.127542      3.893718
  H      -2.107081     -7.100305      5.805030
  H      -1.285395     -6.044557      4.655837
  H      -3.862074     -7.644410      4.331976
  H      -2.321383     -7.891126      3.464745
  H      -6.896886     -6.715604      2.551670
  H      -5.981228     -7.229186      3.983948
  H      -4.935503     -6.226489      1.286827
  H      -4.674509     -7.842399      2.013708
  H      -2.000820     -4.144859      0.594098
  H      -3.676340     -4.671926      0.434230
  H      -1.542124     -5.761821      2.341470
  H      -2.406629     -6.634312      1.043428
  C      -0.302175     -3.102729      3.665390
  N      -1.720387     -2.743641      3.802216
  C      -2.491335     -2.383817      2.529336
  C      -1.596345     -1.772071      1.448174
  C      -2.347173     -1.286359      0.230274
  C      -3.524268     -0.528741      0.335558
  C      -4.172418     -0.049752     -0.804588
  C      -3.654595     -0.314168     -2.076399
  C      -2.485405     -1.068645     -2.196538
  C      -1.842988     -1.549245     -1.051953
  C      -6.760310     -6.119119      6.759547
  N      -6.342830     -4.919582      6.022811
  C      -6.936057     -4.727343      4.640518
  C      -8.324029     -5.333886      4.468640
  C      -9.387295     -4.713417      5.356038
  C     -10.711916     -5.168547      5.243922
  C     -11.733752     -4.625460      6.023800
  C     -11.448086     -3.612692      6.944978
  C     -10.134065     -3.160129      7.077165
  C      -9.110813     -3.702393      6.291429
  C      -3.881246     -4.729909      8.569380
  N      -3.534546     -3.863785      7.437160
  C      -2.479574     -4.382572      6.525915
  C      -1.349947     -5.070279      7.295620
  C      -0.619667     -4.177126      8.277043
  C      -0.077161     -4.741547      9.442315
  C       0.652192     -3.971537     10.351254
  C       0.851363     -2.609428     10.111192
  C       0.312165     -2.032719      8.958032
  C      -0.413950     -2.807632      8.049666
  H      -0.078330     -3.870806      2.897151
  H       0.052232     -3.482589      4.634845
  H       0.286693     -2.205209      3.429890
  H      -2.215628     -3.639609      3.896675
  H      -3.176325     -1.589887      2.868819
  H      -0.816711     -2.478685      1.126325
  H      -1.075353     -0.921797      1.920338
  H      -3.941188     -0.310059      1.320256
  H      -5.085957      0.539328     -0.697159
  H      -4.158684      0.068603     -2.966212
  H      -2.067928     -1.281555     -3.183282
  H      -0.924629     -2.135089     -1.151324
  H      -6.205326     -6.150154      7.707211
  H      -7.829828     -6.062731      7.006757
  H      -6.579610     -7.078586      6.236291
  H      -5.368408     -5.064247      5.711407
  H      -7.059906     -3.640145      4.522818
  H      -8.599490     -5.177979      3.411655
  H      -8.322177     -6.423660      4.632025
  H     -10.941642     -5.959135      4.523445
  H     -12.756365     -4.993320      5.912680
  H     -12.243427     -3.185323      7.559363
  H      -9.894857     -2.379357      7.803005
  H      -8.081095     -3.364589      6.439887
  H      -3.097712     -4.706932      9.340938
  H      -4.066958     -5.791499      8.304431
  H      -4.813151     -4.328989      8.999897
  H      -4.366851     -3.872940      6.839230
  H      -2.052471     -3.482571      6.053228
  H      -0.612570     -5.447656      6.570456
  H      -1.727909     -5.952522      7.834743
  H      -0.231191     -5.807260      9.635013
  H       1.066141     -4.437753     11.248314
  H       1.421242     -2.001459     10.817026
  H       0.457034     -0.968434      8.758811
  H      -0.827426     -2.334590      7.157904
  N      -4.684622     -2.925433      4.819264
  N      -5.109744     -1.938325      5.517125
  H      -5.601904     -2.097424      6.405772
  H      -4.970946     -0.965250      5.227772
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.843138377038
  N      -3.344837     -3.487873      2.165252
  C      -2.874202     -4.484945      1.180860
  C      -2.506530     -5.831016      1.821540
  N      -3.520606     -6.210014      2.853284
  C      -4.781844     -6.741466      2.258986
  C      -5.972285     -6.486898      3.187363
  N      -5.942870     -5.094638      3.650178
  Mo     -4.087505     -4.343078      3.866159
  N      -3.071165     -5.203747      5.449885
  C      -2.264538     -6.347184      4.992979
  C      -2.984994     -7.116799      3.898730
  H      -2.071320     -7.077528      5.801212
  H      -1.262820     -6.034287      4.630327
  H      -3.849410     -7.630647      4.343352
  H      -2.322456     -7.883630      3.458017
  H      -6.890580     -6.697895      2.609282
  H      -5.956376     -7.211290      4.027815
  H      -4.948436     -6.203305      1.315320
  H      -4.678044     -7.817511      2.035672
  H      -2.010775     -4.130008      0.596512
  H      -3.685047     -4.655438      0.449757
  H      -1.541095     -5.748619      2.343396
  H      -2.414062     -6.621107      1.051397
  C      -0.264678     -3.025979      3.630612
  N      -1.686753     -2.687363      3.783564
  C      -2.487506     -2.353859      2.518933
  C      -1.608044     -1.760120      1.416786
  C      -2.371139     -1.298486      0.197560
  C      -3.546583     -0.539822      0.300958
  C      -4.210452     -0.088350     -0.840091
  C      -3.711313     -0.383431     -2.111611
  C      -2.543928     -1.139424     -2.229914
  C      -1.885418     -1.591342     -1.084197
  C      -6.796433     -6.122185      6.786478
  N      -6.355332     -4.920386      6.067944
  C      -6.925946     -4.710946      4.679012
  C      -8.314258     -5.308825      4.476557
  C      -9.399392     -4.702272      5.345432
  C     -10.721386     -5.146616      5.183374
  C     -11.762975     -4.615277      5.942991
  C     -11.500585     -3.625018      6.893851
  C     -10.189384     -3.184097      7.075695
  C      -9.146786     -3.715043      6.310121
  C      -3.857583     -4.779960      8.546779
  N      -3.499078     -3.876072      7.448505
  C      -2.446859     -4.374790      6.527495
  C      -1.321047     -5.072796      7.293700
  C      -0.600163     -4.197388      8.297480
  C      -0.073556     -4.781964      9.458993
  C       0.644563     -4.029319     10.389605
  C       0.848292     -2.664540     10.175834
  C       0.325187     -2.067772      9.026516
  C      -0.390224     -2.825296      8.096946
  H      -0.039316     -3.799551      2.869004
  H       0.106131     -3.388596      4.600231
  H       0.309458     -2.123782      3.377764
  H      -2.156910     -3.596200      3.901266
  H      -3.175084     -1.563484      2.858979
  H      -0.830909     -2.470783      1.099175
  H      -1.080082     -0.901867      1.865891
  H      -3.951200     -0.299259      1.285740
  H      -5.123260      0.501165     -0.735153
  H      -4.228801     -0.024778     -3.002910
  H      -2.141852     -1.377314     -3.216593
  H      -0.970036     -2.180964     -1.182823
  H      -6.262983     -6.164449      7.745667
  H      -7.870046     -6.060052      7.011351
  H      -6.611744     -7.078377      6.259877
  H      -5.372453     -5.069820      5.791811
  H      -7.041536     -3.621602      4.568452
  H      -8.574184     -5.137931      3.418297
  H      -8.315994     -6.400839      4.621997
  H     -10.934382     -5.919298      4.439556
  H     -12.782878     -4.974737      5.792963
  H     -12.311853     -3.207149      7.492445
  H      -9.969389     -2.421959      7.826111
  H      -8.119336     -3.392762      6.498968
  H      -3.075141     -4.791258      9.318725
  H      -4.052236     -5.828070      8.239777
  H      -4.785099     -4.391207      8.993919
  H      -4.332197     -3.832521      6.856994
  H      -2.017044     -3.469278      6.068310
  H      -0.577203     -5.437467      6.568885
  H      -1.702796     -5.963693      7.814525
  H      -0.232706     -5.849536      9.633014
  H       1.044666     -4.510586     11.284182
  H       1.408023     -2.070166     10.900031
  H       0.473338     -1.000638      8.849638
  H      -0.793788     -2.335771      7.209374
  N      -4.641539     -2.895468      4.818576
  N      -5.056771     -1.895269      5.516650
  H      -5.538030     -2.043158      6.409421
  H      -4.912116     -0.929625      5.215000
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.849871759880
  N      -3.337084     -3.479907      2.188774
  C      -2.875279     -4.472077      1.196955
  C      -2.506766     -5.820087      1.829023
  N      -3.514782     -6.201609      2.862626
  C      -4.783164     -6.722936      2.278728
  C      -5.960928     -6.474411      3.223773
  N      -5.935795     -5.082931      3.687496
  Mo     -4.076902     -4.329489      3.893298
  N      -3.039204     -5.201025      5.444718
  C      -2.238932     -6.345405      4.983086
  C      -2.975212     -7.115682      3.899390
  H      -2.035981     -7.068221      5.794799
  H      -1.242313     -6.034278      4.604156
  H      -3.836873     -7.628182      4.349835
  H      -2.322654     -7.883886      3.446550
  H      -6.884663     -6.685907      2.654485
  H      -5.935003     -7.203978      4.059377
  H      -4.958897     -6.181689      1.338710
  H      -4.682503     -7.797786      2.046777
  H      -2.016133     -4.115950      0.607833
  H      -3.689720     -4.637270      0.468456
  H      -1.539586     -5.740595      2.348387
  H      -2.418540     -6.609635      1.058052
  C      -0.228420     -2.960965      3.606362
  N      -1.654577     -2.645803      3.775573
  C      -2.482262     -2.334108      2.521094
  C      -1.616545     -1.754517      1.401346
  C      -2.391676     -1.311992      0.182610
  C      -3.565639     -0.552287      0.287634
  C      -4.245241     -0.122833     -0.852116
  C      -3.764124     -0.442914     -2.123995
  C      -2.598253     -1.200333     -2.243795
  C      -1.923676     -1.629346     -1.099319
  C      -6.840902     -6.144950      6.799503
  N      -6.372915     -4.938940      6.104933
  C      -6.917723     -4.704818      4.712241
  C      -8.308750     -5.287347      4.478819
  C      -9.410325     -4.687498      5.329697
  C     -10.731594     -5.112955      5.121553
  C     -11.787348     -4.584963      5.862670
  C     -11.540555     -3.616906      6.839937
  C     -10.230452     -3.195153      7.066725
  C      -9.173794     -3.723350      6.319779
  C      -3.837664     -4.823825      8.527577
  N      -3.467214     -3.894828      7.455973
  C      -2.420014     -4.376341      6.526157
  C      -1.289977     -5.075585      7.286345
  C      -0.579516     -4.207998      8.303988
  C      -0.058287     -4.802202      9.462478
  C       0.648623     -4.056038     10.406136
  C       0.846172     -2.688388     10.208664
  C       0.328555     -2.082183      9.062303
  C      -0.376085     -2.833177      8.120105
  H      -0.000491     -3.737182      2.848548
  H       0.158307     -3.309777      4.574960
  H       0.330895     -2.053240      3.340458
  H      -2.096564     -3.566135      3.913721
  H      -3.172556     -1.547911      2.863248
  H      -0.841564     -2.468433      1.086881
  H      -1.082627     -0.890348      1.831343
  H      -3.957539     -0.294208      1.273200
  H      -5.157354      0.467191     -0.746690
  H      -4.294833     -0.103663     -3.014763
  H      -2.210961     -1.458481     -3.230983
  H      -1.010825     -2.222241     -1.199411
  H      -6.331548     -6.202626      7.770999
  H      -7.918706     -6.076757      6.999781
  H      -6.651499     -7.096201      6.266185
  H      -5.381752     -5.093307      5.868627
  H      -7.021718     -3.612639      4.613507
  H      -8.551992     -5.099760      3.419634
  H      -8.318140     -6.381614      4.605485
  H     -10.933247     -5.867699      4.356814
  H     -12.806303     -4.929592      5.677525
  H     -12.363457     -3.201709      7.423766
  H     -10.023582     -2.450799      7.838060
  H      -8.147241     -3.420959      6.542707
  H      -3.056541     -4.861879      9.299640
  H      -4.041109     -5.860607      8.189370
  H      -4.760872     -4.442657      8.987933
  H      -4.299769     -3.804100      6.870986
  H      -1.993517     -3.465599      6.075041
  H      -0.541290     -5.425582      6.559012
  H      -1.666783     -5.975625      7.794242
  H      -0.213916     -5.871873      9.624909
  H       1.043546     -4.544255     11.298905
  H       1.395997     -2.099023     10.944023
  H       0.471538     -1.012376      8.899487
  H      -0.777717     -2.335873      7.235840
  N      -4.613140     -2.865011      4.841717
  N      -5.020444     -1.858748      5.543499
  H      -5.492908     -2.001199      6.440318
  H      -4.870520     -0.897780      5.233488
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.855526912550
  N      -3.327309     -3.478099      2.215194
  C      -2.873483     -4.462397      1.214113
  C      -2.502962     -5.811859      1.837134
  N      -3.505940     -6.197439      2.870689
  C      -4.779745     -6.710600      2.293865
  C      -5.947730     -6.470146      3.251791
  N      -5.927358     -5.079965      3.718464
  Mo     -4.067171     -4.324257      3.918572
  N      -3.007420     -5.203389      5.437927
  C      -2.210640     -6.347108      4.973318
  C      -2.960723     -7.117175      3.899138
  H      -1.997545     -7.063711      5.787380
  H      -1.219421     -6.035186      4.580701
  H      -3.818792     -7.629508      4.356224
  H      -2.315474     -7.885365      3.435631
  H      -6.875643     -6.683299      2.689465
  H      -5.912364     -7.204672      4.082586
  H      -4.963416     -6.164403      1.358218
  H      -4.682136     -7.784160      2.052359
  H      -2.017815     -4.103902      0.622063
  H      -3.690993     -4.621880      0.487141
  H      -1.534280     -5.732668      2.354262
  H      -2.416247     -6.599752      1.064187
  C      -0.194598     -2.899147      3.585824
  N      -1.625911     -2.612400      3.770439
  C      -2.478068     -2.321191      2.527213
  C      -1.625910     -1.751299      1.392067
  C      -2.414120     -1.325967      0.175359
  C      -3.588758     -0.567603      0.284457
  C      -4.285217     -0.157751     -0.852685
  C      -3.820787     -0.497615     -2.125840
  C      -2.654268     -1.253909     -2.249579
  C      -1.962567     -1.662789     -1.107670
  C      -6.884508     -6.177660      6.804165
  N      -6.390787     -4.967428      6.133258
  C      -6.909747     -4.705857      4.739405
  C      -8.305546     -5.268551      4.479002
  C      -9.417494     -4.666151      5.313440
  C     -10.740014     -5.068439      5.068368
  C     -11.804184     -4.534817      5.793601
  C     -11.565182     -3.583688      6.789862
  C     -10.254466     -3.184119      7.051740
  C      -9.189250     -3.718701      6.321217
  C      -3.825038     -4.878735      8.503183
  N      -3.440996     -3.921463      7.463329
  C      -2.396973     -4.381080      6.526017
  C      -1.257614     -5.076545      7.277796
  C      -0.560938     -4.213143      8.308267
  C      -0.039206     -4.813508      9.463485
  C       0.654423     -4.068844     10.418645
  C       0.837662     -2.696955     10.235843
  C       0.319510     -2.084808      9.092572
  C      -0.372135     -2.834170      8.139320
  H       0.039032     -3.676266      2.830532
  H       0.207844     -3.234926      4.552943
  H       0.347389     -1.984055      3.309231
  H      -2.035907     -3.542820      3.928413
  H      -3.172384     -1.539936      2.871490
  H      -0.851279     -2.466340      1.079865
  H      -1.089073     -0.881250      1.806072
  H      -3.968213     -0.295929      1.271291
  H      -5.198052      0.430951     -0.744542
  H      -4.365321     -0.175351     -3.014798
  H      -2.280569     -1.527902     -3.237932
  H      -1.050370     -2.256453     -1.210912
  H      -6.398175     -6.250297      7.786907
  H      -7.965940     -6.103686      6.981305
  H      -6.690259     -7.124305      6.264193
  H      -5.392077     -5.125613      5.937309
  H      -7.000136     -3.611101      4.654003
  H      -8.531680     -5.066914      3.418552
  H      -8.326554     -6.364492      4.590436
  H     -10.936037     -5.809236      4.288484
  H     -12.823857     -4.861623      5.581038
  H     -12.395180     -3.163919      7.360557
  H     -10.054568     -2.452391      7.837062
  H      -8.162733     -3.435663      6.568100
  H      -3.047921     -4.945487      9.277694
  H      -4.034384     -5.902780      8.130288
  H      -4.746459     -4.507442      8.974368
  H      -4.269927     -3.786330      6.881496
  H      -1.978580     -3.462525      6.083186
  H      -0.503925     -5.406154      6.545734
  H      -1.623129     -5.988689      7.772248
  H      -0.184497     -5.886378      9.615024
  H       1.049284     -4.561413     11.309243
  H       1.376277     -2.108773     10.980665
  H       0.451051     -1.011588      8.941962
  H      -0.775813     -2.332342      7.258532
  N      -4.592405     -2.844874      4.867928
  N      -4.994929     -1.838228      5.573886
  H      -5.460156     -1.978887      6.475196
  H      -4.842926     -0.879075      5.258701
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.860315982359
  N      -3.316206     -3.480132      2.241894
  C      -2.870595     -4.456585      1.231186
  C      -2.498083     -5.806762      1.846888
  N      -3.497243     -6.194814      2.880147
  C      -4.774791     -6.702045      2.308071
  C      -5.935358     -6.468913      3.275295
  N      -5.918717     -5.079893      3.743976
  Mo     -4.059126     -4.321918      3.941384
  N      -2.976652     -5.203961      5.431307
  C      -2.182801     -6.348211      4.966132
  C      -2.946266     -7.118297      3.901862
  H      -1.960652     -7.059457      5.782081
  H      -1.196544     -6.035985      4.561635
  H      -3.800774     -7.629248      4.367011
  H      -2.307412     -7.887101      3.430156
  H      -6.866486     -6.685106      2.719040
  H      -5.891511     -7.206288      4.103198
  H      -4.964485     -6.150703      1.376631
  H      -4.680227     -7.774379      2.058250
  H      -2.017437     -4.096451      0.637133
  H      -3.690853     -4.610422      0.505559
  H      -1.528267     -5.726192      2.361851
  H      -2.411489     -6.593358      1.072432
  C      -0.163835     -2.836719      3.567055
  N      -1.600785     -2.582972      3.765319
  C      -2.474655     -2.312165      2.533482
  C      -1.635830     -1.749009      1.384378
  C      -2.437174     -1.339871      0.170570
  C      -3.613800     -0.584691      0.284247
  C      -4.326646     -0.193321     -0.849673
  C      -3.877039     -0.549567     -2.123978
  C      -2.708596     -1.302691     -2.252201
  C      -2.000275     -1.692799     -1.113479
  C      -6.930217     -6.209849      6.803941
  N      -6.411330     -4.997453      6.155179
  C      -6.903558     -4.708604      4.761197
  C      -8.304016     -5.250165      4.474980
  C      -9.423141     -4.642786      5.295556
  C     -10.746994     -5.020151      5.017952
  C     -11.816738     -4.479231      5.730027
  C     -11.582473     -3.545122      6.743828
  C     -10.271070     -3.169164      7.036606
  C      -9.200072     -3.711647      6.319850
  C      -3.813722     -4.935758      8.477064
  N      -3.415927     -3.947468      7.473333
  C      -2.375047     -4.384055      6.528121
  C      -1.224406     -5.074416      7.269272
  C      -0.541313     -4.215540      8.312283
  C      -0.018009     -4.821999      9.463722
  C       0.662802     -4.078977     10.430026
  C       0.831249     -2.703088     10.261946
  C       0.311563     -2.084969      9.122164
  C      -0.367530     -2.832469      8.158225
  H       0.079365     -3.613286      2.814065
  H       0.253732     -3.158716      4.532550
  H       0.357364     -1.912524      3.281125
  H      -1.977800     -3.522386      3.943994
  H      -3.173556     -1.535409      2.878447
  H      -0.860054     -2.463285      1.073883
  H      -1.098895     -0.872806      1.784737
  H      -3.981877     -0.301750      1.272210
  H      -5.240991      0.392622     -0.738110
  H      -4.434858     -0.242987     -3.010436
  H      -2.346873     -1.589634     -3.241497
  H      -1.087553     -2.285258     -1.220166
  H      -6.465692     -6.296072      7.796409
  H      -8.014510     -6.128467      6.959323
  H      -6.732519     -7.152962      6.258632
  H      -5.406334     -5.157525      5.998372
  H      -6.979593     -3.611757      4.689639
  H      -8.511414     -5.035311      3.413194
  H      -8.338416     -6.347237      4.572444
  H     -10.939417     -5.747056      4.224090
  H     -12.837222     -4.786872      5.493338
  H     -12.417145     -3.119551      7.303599
  H     -10.075502     -2.449909      7.834585
  H      -8.173831     -3.447698      6.587227
  H      -3.041876     -5.033567      9.253972
  H      -4.026780     -5.944944      8.067095
  H      -4.734755     -4.576257      8.957625
  H      -4.239015     -3.769286      6.894408
  H      -1.966987     -3.457167      6.093004
  H      -0.466985     -5.381451      6.531031
  H      -1.576404     -5.999339      7.749725
  H      -0.152267     -5.897942      9.604054
  H       1.058609     -4.575994     11.317887
  H       1.359252     -2.116255     11.015611
  H       0.431375     -1.008665      8.983271
  H      -0.773357     -2.326209      7.281028
  N      -4.576917     -2.832815      4.891384
  N      -4.977244     -1.828594      5.601336
  H      -5.435821     -1.969018      6.506734
  H      -4.826511     -0.869475      5.284343
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.864470207964
  N      -3.303520     -3.484320      2.267536
  C      -2.867411     -4.454086      1.247318
  C      -2.493775     -5.804842      1.857534
  N      -3.489871     -6.192908      2.891320
  C      -4.769928     -6.696024      2.322772
  C      -5.924413     -6.468266      3.297089
  N      -5.909887     -5.079889      3.765984
  Mo     -4.051727     -4.319814      3.961854
  N      -2.945913     -5.201612      5.425566
  C      -2.156416     -6.348628      4.961370
  C      -2.933855     -7.118884      3.907702
  H      -1.927177     -7.055362      5.778933
  H      -1.174289     -6.038484      4.545906
  H      -3.785244     -7.626289      4.382231
  H      -2.301903     -7.889820      3.429834
  H      -6.858327     -6.688496      2.746924
  H      -5.872703     -7.206113      4.124263
  H      -4.964176     -6.139973      1.395097
  H      -4.678276     -7.767293      2.066337
  H      -2.015961     -4.093663      0.651446
  H      -3.690634     -4.601987      0.523559
  H      -1.522954     -5.722665      2.370107
  H      -2.407488     -6.590912      1.082442
  C      -0.135033     -2.772544      3.548329
  N      -1.577308     -2.555937      3.758744
  C      -2.470737     -2.305452      2.538405
  C      -1.645801     -1.747433      1.375715
  C      -2.461029     -1.353566      0.166111
  C      -3.640007     -0.602536      0.285378
  C      -4.369200     -0.228669     -0.844223
  C      -3.934027     -0.598976     -2.119667
  C      -2.763327     -1.347814     -2.253440
  C      -2.038469     -1.720289     -1.119001
  C      -6.972649     -6.238731      6.802160
  N      -6.432106     -5.025655      6.173245
  C      -6.898591     -4.710793      4.779734
  C      -8.302781     -5.231429      4.468104
  C      -9.428213     -4.618766      5.275671
  C     -10.752183     -4.971907      4.967436
  C     -11.827048     -4.424610      5.667083
  C     -11.598164     -3.507647      6.697698
  C     -10.287177     -3.154464      7.019688
  C      -9.210889     -3.703788      6.315894
  C      -3.804006     -4.991032      8.451382
  N      -3.390869     -3.972342      7.485856
  C      -2.352427     -4.385850      6.532593
  C      -1.190337     -5.070967      7.261989
  C      -0.519960     -4.217586      8.317252
  C       0.003600     -4.830466      9.465051
  C       0.672412     -4.090284     10.442314
  C       0.828338     -2.711227     10.288643
  C       0.308505     -2.086727      9.152138
  C      -0.358839     -2.831152      8.177679
  H       0.121572     -3.546841      2.797478
  H       0.297318     -3.079705      4.512068
  H       0.361652     -1.837658      3.254165
  H      -1.922009     -3.502955      3.959389
  H      -3.173999     -1.532210      2.882612
  H      -0.868234     -2.459595      1.065526
  H      -1.110469     -0.864892      1.763680
  H      -3.996885     -0.309705      1.274550
  H      -5.285225      0.353829     -0.728174
  H      -4.505037     -0.306942     -3.002693
  H      -2.413071     -1.645766     -3.243654
  H      -1.124722     -2.310421     -1.229909
  H      -6.526606     -6.336761      7.802204
  H      -8.058799     -6.149576      6.939186
  H      -6.773109     -7.179122      6.252393
  H      -5.422756     -5.184405      6.051929
  H      -6.960360     -3.612307      4.721801
  H      -8.489586     -5.004561      3.404999
  H      -8.350949     -6.329070      4.553016
  H     -10.940224     -5.685070      4.160157
  H     -12.847416     -4.713753      5.407451
  H     -12.436982     -3.076986      7.247398
  H     -10.096134     -2.447724      7.829882
  H      -8.185814     -3.457356      6.603202
  H      -3.038868     -5.120921      9.230495
  H      -4.019809     -5.984247      8.005168
  H      -4.725701     -4.642932      8.938729
  H      -4.206243     -3.752687      6.910162
  H      -1.955916     -3.450695      6.104782
  H      -0.430216     -5.355264      6.517299
  H      -1.528467     -6.008209      7.728321
  H      -0.121190     -5.908963      9.594273
  H       1.068243     -4.592166     11.327461
  H       1.346571     -2.126638     11.050852
  H       0.418446     -1.007963      9.024324
  H      -0.765313     -2.320115      7.303567
  N      -4.564046     -2.825248      4.912297
  N      -4.963452     -1.823709      5.626064
  H      -5.415446     -1.963850      6.535238
  H      -4.816412     -0.863633      5.309503
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.868154813304
  N      -3.288958     -3.489049      2.292047
  C      -2.863211     -4.453257      1.262852
  C      -2.489810     -5.804808      1.868944
  N      -3.483788     -6.190963      2.903829
  C      -4.765149     -6.691577      2.337442
  C      -5.914811     -6.467408      3.316981
  N      -5.901525     -5.079054      3.784551
  Mo     -4.044869     -4.316551      3.980119
  N      -2.915526     -5.195847      5.420902
  C      -2.132627     -6.347997      4.959148
  C      -2.924142     -7.118599      3.916335
  H      -1.898686     -7.050679      5.778575
  H      -1.153543     -6.042862      4.533480
  H      -3.773191     -7.620354      4.400755
  H      -2.299827     -7.893264      3.434172
  H      -6.851028     -6.692369      2.772693
  H      -5.855856     -7.203814      4.145075
  H      -4.962664     -6.131392      1.412974
  H      -4.675669     -7.761927      2.075888
  H      -2.012610     -4.093674      0.665544
  H      -3.689494     -4.594745      0.541270
  H      -1.518078     -5.721576      2.379215
  H      -2.404407     -6.591003      1.093939
  C      -0.108323     -2.706307      3.531842
  N      -1.555062     -2.530152      3.752086
  C      -2.465645     -2.299617      2.542859
  C      -1.655194     -1.746373      1.366579
  C      -2.485047     -1.367390      0.162215
  C      -3.666177     -0.620547      0.287663
  C      -4.411594     -0.263561     -0.836791
  C      -3.990962     -0.646996     -2.113236
  C      -2.818209     -1.391444     -2.253205
  C      -2.077002     -1.746997     -1.123870
  C      -7.013570     -6.263544      6.797972
  N      -6.454233     -5.050770      6.187313
  C      -6.895659     -4.711985      4.794417
  C      -8.302069     -5.213343      4.458405
  C      -9.433091     -4.596147      5.254061
  C     -10.756084     -4.926879      4.917861
  C     -11.835653     -4.374773      5.606409
  C     -11.612645     -3.474732      6.653005
  C     -10.302967     -3.142668      7.001750
  C      -9.221904     -3.697165      6.309417
  C      -3.794818     -5.040355      8.425109
  N      -3.364467     -3.993414      7.499360
  C      -2.328734     -4.386071      6.538115
  C      -1.157000     -5.067406      7.256064
  C      -0.497221     -4.220392      8.322563
  C       0.022764     -4.839699      9.468278
  C       0.681332     -4.103656     10.455818
  C       0.830472     -2.722677     10.314345
  C       0.314382     -2.091747      9.179527
  C      -0.342952     -2.831831      8.195204
  H       0.165341     -3.476553      2.782978
  H       0.337602     -2.998001      4.494120
  H       0.361149     -1.759667      3.231150
  H      -1.868773     -3.482748      3.975397
  H      -3.172978     -1.528934      2.884808
  H      -0.875718     -2.455717      1.055372
  H      -1.122426     -0.857256      1.742381
  H      -4.011741     -0.318067      1.277945
  H      -5.329075      0.315593     -0.715601
  H      -4.575017     -0.368711     -2.992166
  H      -2.479293     -1.699599     -3.244243
  H      -1.162161     -2.334499     -1.239480
  H      -6.583570     -6.372261      7.804113
  H      -8.100950     -6.166252      6.919207
  H      -6.813757     -7.201918      6.244356
  H      -5.441793     -5.204822      6.097623
  H      -6.943996     -3.612320      4.749396
  H      -8.467946     -4.976031      3.394198
  H      -8.362872     -6.311134      4.532668
  H     -10.939136     -5.626684      4.097853
  H     -12.855115     -4.646830      5.325582
  H     -12.455140     -3.040185      7.193977
  H     -10.116595     -2.448344      7.823679
  H      -8.198668     -3.466375      6.615501
  H      -3.036895     -5.204247      9.205079
  H      -4.014485     -6.016164      7.943396
  H      -4.717002     -4.701947      8.918067
  H      -4.170991     -3.732464      6.928352
  H      -1.943406     -3.443387      6.116872
  H      -0.395129     -5.332050      6.505768
  H      -1.483416     -6.015063      7.709503
  H      -0.096887     -5.919864      9.588032
  H       1.074244     -4.610514     11.339427
  H       1.340491     -2.141278     11.084497
  H       0.419028     -1.011412      9.060838
  H      -0.746743     -2.315985      7.322632
  N      -4.553858     -2.820250      4.931519
  N      -4.953696     -1.821221      5.649231
  H      -5.399503     -1.961662      6.561608
  H      -4.812157     -0.859532      5.334777
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.871487194017
  N      -3.272710     -3.493133      2.314930
  C      -2.858244     -4.452793      1.277419
  C      -2.485882     -5.805281      1.880192
  N      -3.477947     -6.188291      2.917173
  C      -4.759934     -6.688059      2.352567
  C      -5.905417     -6.466166      3.336455
  N      -5.893101     -5.077231      3.801524
  Mo     -4.037348     -4.311328      3.996547
  N      -2.883798     -5.186289      5.416677
  C      -2.109660     -6.345235      4.958271
  C      -2.915239     -7.116646      3.926852
  H      -1.872852     -7.043951      5.780000
  H      -1.132760     -6.047565      4.522785
  H      -3.762352     -7.611201      4.421733
  H      -2.299338     -7.896298      3.441697
  H      -6.843752     -6.696407      2.798214
  H      -5.839187     -7.199763      4.166546
  H      -4.960405     -6.124476      1.430809
  H      -4.671553     -7.757608      2.087141
  H      -2.008174     -4.094885      0.678554
  H      -3.688040     -4.587666      0.558709
  H      -1.512864     -5.721687      2.387638
  H      -2.402569     -6.592119      1.105761
  C      -0.083447     -2.638806      3.515998
  N      -1.533102     -2.504783      3.744692
  C      -2.459104     -2.293494      2.546563
  C      -1.664623     -1.745583      1.355868
  C      -2.510500     -1.381853      0.157978
  C      -3.693181     -0.638584      0.290336
  C      -4.455239     -0.298353     -0.828067
  C      -4.050166     -0.695226     -2.105389
  C      -2.875935     -1.435892     -2.252302
  C      -2.118046     -1.774698     -1.128979
  C      -7.048174     -6.284843      6.794161
  N      -6.474887     -5.072187      6.199711
  C      -6.893426     -4.712128      4.807340
  C      -8.300875     -5.196355      4.448922
  C      -9.437500     -4.574273      5.232164
  C     -10.758443     -4.885743      4.870520
  C     -11.842981     -4.329127      5.547420
  C     -11.627136     -3.443132      6.607308
  C     -10.319740     -3.129154      6.980412
  C      -9.233699     -3.688444      6.299901
  C      -3.788048     -5.087837      8.393634
  N      -3.337619     -4.012650      7.512162
  C      -2.303251     -4.384478      6.543867
  C      -1.123774     -5.063693      7.251207
  C      -0.473855     -4.224418      8.329357
  C       0.037741     -4.851005      9.474616
  C       0.686438     -4.120803     10.473095
  C       0.834092     -2.738722     10.342911
  C       0.326630     -2.100520      9.208163
  C      -0.321053     -2.834623      8.213272
  H       0.208919     -3.403423      2.768539
  H       0.375161     -2.915266      4.476764
  H       0.357617     -1.680197      3.210496
  H      -1.817884     -3.460569      3.990820
  H      -3.170064     -1.524620      2.885418
  H      -0.883666     -2.451977      1.042245
  H      -1.134606     -0.849541      1.718363
  H      -4.026631     -0.325739      1.281555
  H      -5.373638      0.278089     -0.701106
  H      -4.647508     -0.430334     -2.979500
  H      -2.548974     -1.754421     -3.244067
  H      -1.202369     -2.359811     -1.249862
  H      -6.630564     -6.402894      7.804654
  H      -8.136295     -6.180870      6.903322
  H      -6.848818     -7.221456      6.236848
  H      -5.460295     -5.218282      6.137025
  H      -6.929568     -3.611660      4.773870
  H      -8.446626     -4.951467      3.383595
  H      -8.372698     -6.293941      4.515693
  H     -10.935439     -5.574507      4.039904
  H     -12.860672     -4.586551      5.247078
  H     -12.473422     -3.004910      7.139316
  H     -10.138908     -2.445053      7.812094
  H      -8.213129     -3.470439      6.623476
  H      -3.038911     -5.288957      9.173526
  H      -4.011562     -6.043159      7.873762
  H      -4.711256     -4.759462      8.891163
  H      -4.133788     -3.710055      6.947161
  H      -1.928763     -3.434060      6.130467
  H      -0.360014     -5.310921      6.496743
  H      -1.440569     -6.020555      7.691883
  H      -0.080810     -5.932221      9.585557
  H       1.072689     -4.633325     11.356363
  H       1.336328     -2.161813     11.121492
  H       0.430247     -1.019208      9.097814
  H      -0.718231     -2.313386      7.340794
  N      -4.545013     -2.816263      4.950275
  N      -4.946304     -1.819589      5.672143
  H      -5.385971     -1.961377      6.587247
  H      -4.811796     -0.856082      5.360305
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.876755206486
  N      -3.254609     -3.495206      2.335843
  C      -2.851220     -4.451890      1.289718
  C      -2.482271     -5.807083      1.888962
  N      -3.473412     -6.186529      2.929269
  C      -4.756661     -6.687325      2.365981
  C      -5.899662     -6.465695      3.353366
  N      -5.887836     -5.074492      3.816289
  Mo     -4.030918     -4.303382      4.011513
  N      -2.852367     -5.174848      5.412639
  C      -2.087958     -6.342748      4.958099
  C      -2.907186     -7.115582      3.937305
  H      -1.849893     -7.037561      5.782512
  H      -1.112422     -6.053958      4.513705
  H      -3.752584     -7.602296      4.442635
  H      -2.299991     -7.900771      3.449953
  H      -6.839736     -6.700802      2.820516
  H      -5.827325     -7.195877      4.185973
  H      -4.959484     -6.121303      1.446203
  H      -4.668613     -7.756271      2.097972
  H      -2.000839     -4.096647      0.689915
  H      -3.684430     -4.578932      0.573685
  H      -1.507794     -5.724856      2.393626
  H      -2.402420     -6.594508      1.114962
  C      -0.059062     -2.569298      3.501417
  N      -1.510022     -2.477556      3.737168
  C      -2.449555     -2.285152      2.549323
  C      -1.670884     -1.744074      1.344148
  C      -2.532494     -1.395843      0.152870
  C      -3.715912     -0.654854      0.291436
  C      -4.493596     -0.330870     -0.820966
  C      -4.103811     -0.741838     -2.098548
  C      -2.928859     -1.480034     -2.251724
  C      -2.155397     -1.802646     -1.134363
  C      -7.083648     -6.302486      6.788776
  N      -6.499615     -5.089427      6.209695
  C      -6.896399     -4.711722      4.817530
  C      -8.303530     -5.182073      4.439253
  C      -9.444467     -4.555920      5.212148
  C     -10.763373     -4.850165      4.829293
  C     -11.851569     -4.289689      5.496948
  C     -11.641482     -3.416623      6.568649
  C     -10.336237     -3.119129      6.962187
  C      -9.246539     -3.682426      6.290925
  C      -3.780703     -5.131495      8.361844
  N      -3.311267     -4.030464      7.524166
  C      -2.277176     -4.382486      6.549875
  C      -1.090834     -5.059990      7.247399
  C      -0.450074     -4.228625      8.336712
  C       0.050366     -4.862275      9.482782
  C       0.689638     -4.138264     10.491904
  C       0.839088     -2.755627     10.371466
  C       0.343081     -2.110379      9.235532
  C      -0.295349     -2.838209      8.230340
  H       0.252547     -3.327237      2.754909
  H       0.411348     -2.830960      4.460581
  H       0.353738     -1.599251      3.192496
  H      -1.767944     -3.434413      4.005784
  H      -3.163785     -1.517286      2.883980
  H      -0.888962     -2.448071      1.028081
  H      -1.143437     -0.841028      1.692252
  H      -4.037447     -0.330727      1.282978
  H      -5.412238      0.243994     -0.688820
  H      -4.713522     -0.489743     -2.967865
  H      -2.613529     -1.809378     -3.243710
  H      -1.239330     -2.386131     -1.259991
  H      -6.677335     -6.428884      7.802969
  H      -8.172494     -6.193549      6.886923
  H      -6.883937     -7.237353      6.228093
  H      -5.483072     -5.224959      6.171580
  H      -6.922479     -3.610779      4.794453
  H      -8.431997     -4.931387      3.373140
  H      -8.384234     -6.279353      4.500500
  H     -10.935424     -5.528765      3.989318
  H     -12.867526     -4.533855      5.180160
  H     -12.490512     -2.975318      7.093661
  H     -10.159863     -2.444653      7.802641
  H      -8.228358     -3.476107      6.629384
  H      -3.040794     -5.367159      9.140926
  H      -4.005238     -6.065559      7.804951
  H      -4.706226     -4.814263      8.862138
  H      -4.097209     -3.690392      6.966281
  H      -1.913341     -3.424264      6.145250
  H      -0.325212     -5.291727      6.489769
  H      -1.399155     -6.024948      7.676103
  H      -0.069543     -5.944079      9.586104
  H       1.067091     -4.656258     11.375770
  H       1.333979     -2.183517     11.158223
  H       0.448370     -1.028530      9.132366
  H      -0.683664     -2.311865      7.356843
  N      -4.538528     -2.811675      4.968961
  N      -4.941568     -1.816543      5.694918
  H      -5.375617     -1.960051      6.612175
  H      -4.814075     -0.851541      5.385166
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.878641529903
  N      -3.235561     -3.509216      2.356740
  C      -2.841631     -4.461836      1.305721
  C      -2.474244     -5.816689      1.904245
  N      -3.467739     -6.193079      2.941299
  C      -4.750988     -6.686769      2.375565
  C      -5.889059     -6.469080      3.368051
  N      -5.878135     -5.078002      3.826270
  Mo     -4.019958     -4.312552      4.023280
  N      -2.830324     -5.178876      5.412579
  C      -2.074312     -6.351043      4.960470
  C      -2.906757     -7.123085      3.949828
  H      -1.834488     -7.043146      5.786516
  H      -1.100456     -6.069557      4.507631
  H      -3.753774     -7.598510      4.462967
  H      -2.309466     -7.916298      3.463213
  H      -6.831322     -6.709172      2.841537
  H      -5.808560     -7.196448      4.202357
  H      -4.954657     -6.113315      1.460650
  H      -4.665682     -7.753969      2.099932
  H      -1.990903     -4.108662      0.705424
  H      -3.677279     -4.583919      0.591817
  H      -1.500607     -5.734162      2.410300
  H      -2.393735     -6.604735      1.131141
  C      -0.037427     -2.550599      3.500403
  N      -1.488077     -2.483866      3.741958
  C      -2.437313     -2.295593      2.564332
  C      -1.678999     -1.751170      1.347052
  C      -2.560416     -1.407102      0.169104
  C      -3.742224     -0.667208      0.324929
  C      -4.539258     -0.348824     -0.775173
  C      -4.170929     -0.764399     -2.057461
  C      -2.997685     -1.501294     -2.227814
  C      -2.204816     -1.818293     -1.122736
  C      -7.109139     -6.326002      6.773696
  N      -6.509808     -5.112921      6.213451
  C      -6.888230     -4.712408      4.823360
  C      -8.298019     -5.160460      4.425817
  C      -9.442756     -4.522676      5.183456
  C     -10.758687     -4.797493      4.776905
  C     -11.850702     -4.227008      5.429331
  C     -11.647622     -3.362676      6.509217
  C     -10.345589     -3.083573      6.925586
  C      -9.252098     -3.657073      6.269509
  C      -3.755587     -5.212605      8.340283
  N      -3.299619     -4.077318      7.542346
  C      -2.266953     -4.387567      6.554111
  C      -1.056806     -5.042297      7.232459
  C      -0.430362     -4.208274      8.327825
  C       0.075089     -4.840549      9.472184
  C       0.700527     -4.112712     10.487105
  C       0.830913     -2.727721     10.374092
  C       0.330110     -2.083826      9.239589
  C      -0.294648     -2.815416      8.228821
  H       0.284004     -3.300832      2.750296
  H       0.440416     -2.808738      4.456796
  H       0.359317     -1.573019      3.194275
  H      -1.731610     -3.440446      4.023089
  H      -3.152902     -1.530072      2.901590
  H      -0.898328     -2.450919      1.019169
  H      -1.151590     -0.845099      1.686843
  H      -4.047083     -0.339352      1.320498
  H      -5.456288      0.225140     -0.629399
  H      -4.795989     -0.516938     -2.917022
  H      -2.698935     -1.834225     -3.223618
  H      -1.290381     -2.401158     -1.261623
  H      -6.709400     -6.469262      7.788273
  H      -8.197257     -6.206048      6.867714
  H      -6.917558     -7.256535      6.202762
  H      -5.492655     -5.247773      6.191570
  H      -6.897973     -3.611079      4.812007
  H      -8.407589     -4.905593      3.358675
  H      -8.393426     -6.256727      4.483122
  H     -10.924986     -5.469226      3.930401
  H     -12.864095     -4.456443      5.094195
  H     -12.499526     -2.913481      7.022540
  H     -10.174560     -2.415339      7.772004
  H      -8.237644     -3.463401      6.624500
  H      -3.010977     -5.467612      9.108668
  H      -3.968907     -6.128268      7.749452
  H      -4.683105     -4.926242      8.854285
  H      -4.088244     -3.717951      7.000443
  H      -1.933808     -3.415072      6.157619
  H      -0.291794     -5.244760      6.465806
  H      -1.336121     -6.020299      7.651203
  H      -0.030043     -5.924325      9.569753
  H       1.081937     -4.629746     11.369711
  H       1.314773     -2.152623     11.165372
  H       0.420578     -1.000214      9.141982
  H      -0.687217     -2.290365      7.356387
  N      -4.527976     -2.822658      4.985387
  N      -4.932938     -1.829692      5.714035
  H      -5.347574     -1.974101      6.639892
  H      -4.825615     -0.864225      5.398355
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.872376439864
  N      -3.228915     -3.475402      2.316358
  C      -2.809993     -4.460380      1.249760
  C      -2.436101     -5.832028      1.864233
  N      -3.447282     -6.218015      2.920827
  C      -4.752767     -6.742729      2.350633
  C      -5.914137     -6.516894      3.355927
  N      -5.917625     -5.081367      3.813109
  Mo     -4.031699     -4.274097      4.008710
  N      -2.816280     -5.154518      5.432827
  C      -2.040050     -6.357944      4.980939
  C      -2.871370     -7.150443      3.954983
  H      -1.805358     -7.046536      5.810829
  H      -1.063391     -6.074236      4.534683
  H      -3.718858     -7.626188      4.467510
  H      -2.267411     -7.943596      3.477675
  H      -6.853052     -6.771489      2.831252
  H      -5.827901     -7.233031      4.199470
  H      -4.961444     -6.181833      1.428874
  H      -4.657368     -7.811708      2.087795
  H      -1.957751     -4.106466      0.652885
  H      -3.641063     -4.591467      0.532338
  H      -1.465657     -5.738467      2.374840
  H      -2.346166     -6.624080      1.097175
  C      -0.038718     -2.464593      3.473691
  N      -1.490564     -2.409544      3.709575
  C      -2.435691     -2.241761      2.518629
  C      -1.674560     -1.706468      1.298919
  C      -2.550857     -1.382426      0.111318
  C      -3.738383     -0.649338      0.250759
  C      -4.530299     -0.349770     -0.857684
  C      -4.151061     -0.777726     -2.132134
  C      -2.972018     -1.508026     -2.286224
  C      -2.184372     -1.806173     -1.172931
  C      -7.119578     -6.303413      6.796068
  N      -6.548945     -5.087075      6.215098
  C      -6.951768     -4.713096      4.819368
  C      -8.357494     -5.181813      4.436942
  C      -9.493908     -4.541128      5.204303
  C     -10.814986     -4.822145      4.821958
  C     -11.896666     -4.247540      5.486896
  C     -11.677333     -3.373274      6.555002
  C     -10.369525     -3.088249      6.947629
  C      -9.285981     -3.665418      6.279480
  C      -3.765984     -5.192704      8.360194
  N      -3.274878     -4.059850      7.579903
  C      -2.235763     -4.376743      6.597782
  C      -1.038698     -5.056491      7.273929
  C      -0.405149     -4.244637      8.382068
  C       0.084595     -4.898307      9.520640
  C       0.715757     -4.193009     10.547121
  C       0.867953     -2.809425     10.452007
  C       0.383044     -2.144175      9.323599
  C      -0.247550     -2.853288      8.301144
  H       0.292808     -3.220663      2.734354
  H       0.437954     -2.706308      4.434729
  H       0.349947     -1.487358      3.157148
  H      -1.721231     -3.361137      4.002267
  H      -3.158644     -1.477359      2.842266
  H      -0.887388     -2.404207      0.984043
  H      -1.156154     -0.792742      1.630825
  H      -4.051944     -0.311862      1.240339
  H      -5.451840      0.219143     -0.724579
  H      -4.772059     -0.545005     -2.998095
  H      -2.664714     -1.850463     -3.275631
  H      -1.265381     -2.383954     -1.299157
  H      -6.708563     -6.425284      7.808683
  H      -8.208566     -6.203458      6.897969
  H      -6.914683     -7.237387      6.235931
  H      -5.521842     -5.202713      6.188291
  H      -6.978517     -3.611617      4.795855
  H      -8.479112     -4.940664      3.368135
  H      -8.444459     -6.277765      4.507208
  H     -10.993772     -5.501614      3.984851
  H     -12.914599     -4.481530      5.170842
  H     -12.521204     -2.921133      7.077867
  H     -10.186314     -2.412586      7.784998
  H      -8.264404     -3.467943      6.617040
  H      -3.038737     -5.471499      9.136447
  H      -3.990648     -6.097167      7.757096
  H      -4.696345     -4.889208      8.860835
  H      -4.049677     -3.680732      7.033206
  H      -1.885601     -3.404172      6.214991
  H      -0.273127     -5.261200      6.509053
  H      -1.334404     -6.034989      7.680102
  H      -0.037571     -5.981004      9.604361
  H       1.084513     -4.726464     11.424700
  H       1.356336     -2.251946     11.252358
  H       0.490587     -1.061417      9.240009
  H      -0.627669     -2.311500      7.433556
  N      -4.558753     -2.770052      4.961525
  N      -4.976210     -1.761408      5.682506
  H      -5.393104     -1.896902      6.607664
  H      -4.873727     -0.799971      5.355007
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.875845601015
  N      -3.209317     -3.486947      2.337893
  C      -2.800276     -4.466672      1.268509
  C      -2.433699     -5.838177      1.880239
  N      -3.446258     -6.219276      2.932945
  C      -4.749359     -6.736729      2.359977
  C      -5.906994     -6.511110      3.363960
  N      -5.908693     -5.078658      3.816994
  Mo     -4.022164     -4.279044      4.020591
  N      -2.802897     -5.158318      5.433215
  C      -2.036428     -6.364922      4.985011
  C      -2.875922     -7.153131      3.965427
  H      -1.803888     -7.051954      5.816795
  H      -1.059859     -6.089015      4.534704
  H      -3.725352     -7.619815      4.482515
  H      -2.280043     -7.952378      3.487937
  H      -6.846970     -6.767140      2.841955
  H      -5.818264     -7.224802      4.208856
  H      -4.955648     -6.170133      1.441404
  H      -4.657137     -7.804818      2.092110
  H      -1.945649     -4.115991      0.673047
  H      -3.632869     -4.589960      0.551899
  H      -1.463758     -5.748403      2.391992
  H      -2.346319     -6.630252      1.112946
  C      -0.018258     -2.459251      3.476490
  N      -1.469049     -2.420725      3.717860
  C      -2.419778     -2.252985      2.536901
  C      -1.676429     -1.714275      1.307538
  C      -2.570333     -1.393993      0.132265
  C      -3.753938     -0.657505      0.286641
  C      -4.562387     -0.361446     -0.810807
  C      -4.203932     -0.796301     -2.088981
  C      -3.028829     -1.529754     -2.257933
  C      -2.224623     -1.824443     -1.155557
  C      -7.149511     -6.315954      6.775538
  N      -6.563223     -5.100103      6.211174
  C      -6.945128     -4.709602      4.816422
  C      -8.350852     -5.162864      4.415868
  C      -9.490138     -4.519601      5.175923
  C     -10.809000     -4.778679      4.770783
  C     -11.893043     -4.200924      5.429164
  C     -11.678358     -3.345781      6.513711
  C     -10.372885     -3.082969      6.929040
  C      -9.287054     -3.663274      6.267221
  C      -3.751920     -5.261394      8.346629
  N      -3.273555     -4.103094      7.597035
  C      -2.235543     -4.383586      6.603099
  C      -1.015160     -5.040793      7.260007
  C      -0.388871     -4.222947      8.367504
  C       0.099368     -4.869972      9.510483
  C       0.723093     -4.157632     10.536784
  C       0.869501     -2.773762     10.436649
  C       0.386633     -2.115204      9.303305
  C      -0.236619     -2.831308      8.281255
  H       0.318809     -3.208746      2.732702
  H       0.464850     -2.700134      4.434581
  H       0.359293     -1.476582      3.162858
  H      -1.693266     -3.371314      4.022326
  H      -3.143151     -1.490173      2.863627
  H      -0.890113     -2.408332      0.982000
  H      -1.157830     -0.797912      1.632310
  H      -4.051027     -0.313983      1.279239
  H      -5.480528      0.210268     -0.666028
  H      -4.837934     -0.566343     -2.946324
  H      -2.737515     -1.877403     -3.250454
  H      -1.308781     -2.404708     -1.293239
  H      -6.746066     -6.452835      7.789364
  H      -8.238224     -6.205099      6.871932
  H      -6.951952     -7.246662      6.207041
  H      -5.537101     -5.214420      6.201965
  H      -6.959493     -3.608042      4.802780
  H      -8.458595     -4.913421      3.347487
  H      -8.447004     -6.258625      4.477852
  H     -10.983902     -5.443091      3.920749
  H     -12.909198     -4.417412      5.095111
  H     -12.524070     -2.891228      7.031669
  H     -10.193282     -2.422288      7.779158
  H      -8.268240     -3.482578      6.621197
  H      -3.019483     -5.553701      9.113023
  H      -3.967622     -6.151027      7.718659
  H      -4.683353     -4.982341      8.859018
  H      -4.052498     -3.710324      7.065577
  H      -1.914448     -3.398510      6.228361
  H      -0.253939     -5.222798      6.484644
  H      -1.283689     -6.028711      7.661831
  H      -0.018151     -5.952955      9.597983
  H       1.090674     -4.685936     11.418082
  H       1.352226     -2.210795     11.236714
  H       0.490321     -1.032329      9.215382
  H      -0.614484     -2.295078      7.409071
  N      -4.546595     -2.778772      4.976786
  N      -4.964233     -1.772956      5.700311
  H      -5.350285     -1.907955      6.638699
  H      -4.892372     -0.812746      5.361299
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.878700726284
  N      -3.193404     -3.499741      2.359336
  C      -2.793835     -4.473406      1.285922
  C      -2.432338     -5.845807      1.893342
  N      -3.444803     -6.224242      2.943602
  C      -4.746240     -6.735686      2.368748
  C      -5.900840     -6.510763      3.372101
  N      -5.900685     -5.081429      3.823518
  Mo     -4.013327     -4.288262      4.033302
  N      -2.789005     -5.166559      5.433116
  C      -2.030760     -6.375855      4.988476
  C      -2.877561     -7.159956      3.973649
  H      -1.800279     -7.061707      5.821896
  H      -1.053963     -6.106697      4.535112
  H      -3.727962     -7.619970      4.494879
  H      -2.288572     -7.963656      3.494954
  H      -6.841897     -6.767385      2.852367
  H      -5.810083     -7.223575      4.217387
  H      -4.951011     -6.163852      1.453181
  H      -4.656576     -7.802796      2.095848
  H      -1.937946     -4.124636      0.691124
  H      -3.628400     -4.589336      0.570528
  H      -1.462013     -5.759764      2.404761
  H      -2.347985     -6.636963      1.124775
  C      -0.000564     -2.457400      3.478714
  N      -1.449705     -2.434160      3.727330
  C      -2.407204     -2.265036      2.556995
  C      -1.679954     -1.720214      1.320332
  C      -2.589797     -1.402078      0.156974
  C      -3.769805     -0.663088      0.326059
  C      -4.593286     -0.368790     -0.760623
  C      -4.253670     -0.807747     -2.042537
  C      -3.082155     -1.543415     -2.226129
  C      -2.262906     -1.836445     -1.134438
  C      -7.171846     -6.336220      6.759176
  N      -6.574358     -5.119200      6.210855
  C      -6.938813     -4.711652      4.817660
  C      -8.345833     -5.147581      4.401305
  C      -9.487249     -4.493982      5.149124
  C     -10.803463     -4.732834      4.723225
  C     -11.889284     -4.145036      5.369658
  C     -11.679172     -3.299590      6.462688
  C     -10.376497     -3.056251      6.898096
  C      -9.288893     -3.646685      6.248162
  C      -3.727933     -5.346609      8.333723
  N      -3.273625     -4.159586      7.615336
  C      -2.236806     -4.394969      6.608945
  C      -0.990780     -5.024312      7.245030
  C      -0.374055     -4.197393      8.350684
  C       0.113722     -4.834267      9.499457
  C       0.727662     -4.111315     10.524312
  C       0.864788     -2.727095     10.416469
  C       0.382909     -2.078715      9.276772
  C      -0.230574     -2.805360      8.256357
  H       0.340213     -3.199395      2.728926
  H       0.490183     -2.698984      4.432750
  H       0.366097     -1.469365      3.168774
  H      -1.667768     -3.383610      4.040614
  H      -3.131186     -1.504750      2.888832
  H      -0.893722     -2.409397      0.984070
  H      -1.162279     -0.801587      1.640449
  H      -4.051924     -0.315747      1.321703
  H      -5.508294      0.204934     -0.604392
  H      -4.899394     -0.579086     -2.891435
  H      -2.805344     -1.894064     -3.221745
  H      -1.349914     -2.418360     -1.283421
  H      -6.773442     -6.487600      7.772967
  H      -8.260086     -6.217536      6.852765
  H      -6.980191     -7.262484      6.181324
  H      -5.549083     -5.232375      6.216138
  H      -6.940805     -3.609976      4.813918
  H      -8.438788     -4.895323      3.332249
  H      -8.454034     -6.242388      4.460353
  H     -10.974634     -5.389389      3.866351
  H     -12.903231     -4.345885      5.019491
  H     -12.526245     -2.837065      6.971300
  H     -10.200440     -2.402756      7.754500
  H      -8.273021     -3.479951      6.616513
  H      -2.986655     -5.646430      9.088683
  H      -3.928640     -6.221923      7.681163
  H      -4.661624     -5.100468      8.858369
  H      -4.061141     -3.762476      7.099989
  H      -1.950306     -3.395685      6.245265
  H      -0.235080     -5.180666      6.458505
  H      -1.227655     -6.021812      7.642829
  H       0.003582     -5.917516      9.592825
  H       1.095018     -4.631715     11.410396
  H       1.340016     -2.155938     11.215214
  H       0.480136     -0.995785      9.182388
  H      -0.606869     -2.277463      7.378235
  N      -4.536190     -2.792244      4.994656
  N      -4.954356     -1.789495      5.721399
  H      -5.311586     -1.923924      6.671028
  H      -4.912520     -0.831016      5.372696
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.881308456048
  N      -3.176083     -3.512937      2.380009
  C      -2.785681     -4.480485      1.302312
  C      -2.430791     -5.854850      1.904911
  N      -3.444308     -6.230559      2.952166
  C      -4.744465     -6.734815      2.374396
  C      -5.897042     -6.509569      3.376489
  N      -5.893938     -5.083329      3.827504
  Mo     -4.004799     -4.298334      4.044582
  N      -2.777026     -5.176719      5.431415
  C      -2.027541     -6.389860      4.991769
  C      -2.881433     -7.169049      3.980175
  H      -1.801072     -7.074643      5.827289
  H      -1.049506     -6.128589      4.536868
  H      -3.733541     -7.622180      4.504491
  H      -2.299499     -7.977312      3.500466
  H      -6.839001     -6.765354      2.857949
  H      -5.806082     -7.222419      4.221675
  H      -4.946419     -6.157677      1.461597
  H      -4.658112     -7.800957      2.096458
  H      -1.927865     -4.133949      0.708918
  H      -3.621602     -4.588111      0.587292
  H      -1.460238     -5.773862      2.416517
  H      -2.349764     -6.644657      1.134629
  C       0.019430     -2.459491      3.482680
  N      -1.427948     -2.449920      3.737809
  C      -2.391974     -2.278118      2.577657
  C      -1.679103     -1.727071      1.334956
  C      -2.603175     -1.410110      0.182744
  C      -3.778812     -0.667447      0.365357
  C      -4.615965     -0.374237     -0.711087
  C      -4.294573     -0.817793     -1.996098
  C      -3.127416     -1.556843     -2.193162
  C      -2.294474     -1.848861     -1.111634
  C      -7.199668     -6.354752      6.738456
  N      -6.588407     -5.137565      6.207588
  C      -6.933982     -4.712361      4.816328
  C      -8.342342     -5.129462      4.384785
  C      -9.483040     -4.468769      5.126937
  C     -10.797319     -4.681657      4.681677
  C     -11.882050     -4.086234      5.322866
  C     -11.672790     -3.259234      6.430103
  C     -10.372126     -3.041872      6.884755
  C      -9.285612     -3.639888      6.239941
  C      -3.704791     -5.440303      8.316303
  N      -3.277039     -4.223569      7.632744
  C      -2.242017     -4.408788      6.614073
  C      -0.968297     -5.004748      7.227578
  C      -0.363595     -4.165937      8.330367
  C       0.122259     -4.789084      9.487321
  C       0.723433     -4.052183     10.509857
  C       0.849781     -2.667884     10.390949
  C       0.370491     -2.033254      9.242396
  C      -0.230263     -2.773747      8.224514
  H       0.363272     -3.193864      2.726650
  H       0.517069     -2.702827      4.432709
  H       0.376514     -1.466502      3.177225
  H      -1.640673     -3.398114      4.058975
  H      -3.116223     -1.520207      2.914817
  H      -0.893176     -2.411726      0.988641
  H      -1.162182     -0.806715      1.651452
  H      -4.046460     -0.315962      1.363555
  H      -5.527263      0.202384     -0.544360
  H      -4.950946     -0.589911     -2.836966
  H      -2.864663     -1.910896     -3.191356
  H      -1.384962     -2.433377     -1.271004
  H      -6.808071     -6.521651      7.752444
  H      -8.287310     -6.226470      6.827984
  H      -7.014577     -7.276404      6.151071
  H      -5.564263     -5.251185      6.228082
  H      -6.923093     -3.610817      4.823553
  H      -8.422933     -4.869576      3.316603
  H      -8.462670     -6.223400      4.435981
  H     -10.967622     -5.323517      3.813597
  H     -12.894447     -4.266522      4.957418
  H     -12.518993     -2.790774      6.934666
  H     -10.196802     -2.402882      7.752163
  H      -8.271940     -3.493148      6.622288
  H      -2.953442     -5.748717      9.057741
  H      -3.891265     -6.298342      7.637126
  H      -4.639633     -5.229660      8.854016
  H      -4.074499     -3.824087      7.134785
  H      -1.994482     -3.395103      6.263391
  H      -0.219616     -5.132465      6.429033
  H      -1.168897     -6.011622      7.621338
  H       0.020634     -5.872352      9.589201
  H       1.089447     -4.561866     11.402670
  H       1.315210     -2.085995     11.187676
  H       0.460296     -0.950542      9.138870
  H      -0.603539     -2.257063      7.338258
  N      -4.525566     -2.806443      5.011348
  N      -4.943912     -1.806454      5.741485
  H      -5.270616     -1.939313      6.702020
  H      -4.930343     -0.850279      5.384491
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.883536220807
  N      -3.162257     -3.524941      2.402595
  C      -2.778518     -4.486367      1.320972
  C      -2.429991     -5.863164      1.918439
  N      -3.445419     -6.237431      2.961908
  C      -4.743970     -6.734751      2.379915
  C      -5.895823     -6.510145      3.379987
  N      -5.890086     -5.087289      3.832941
  Mo     -3.999452     -4.309326      4.057978
  N      -2.768987     -5.188162      5.432820
  C      -2.028714     -6.405968      4.998646
  C      -2.887898     -7.179523      3.988055
  H      -1.807874     -7.089956      5.836496
  H      -1.048596     -6.153000      4.543967
  H      -3.742259     -7.626807      4.513584
  H      -2.311924     -7.991521      3.507434
  H      -6.838094     -6.764029      2.861034
  H      -5.805978     -7.224472      4.224021
  H      -4.942431     -6.152156      1.469877
  H      -4.660331     -7.799761      2.096697
  H      -1.918457     -4.141239      0.729926
  H      -3.614778     -4.586267      0.605302
  H      -1.459634     -5.787369      2.431007
  H      -2.351447     -6.650989      1.145903
  C       0.035044     -2.462972      3.493281
  N      -1.410737     -2.465236      3.753508
  C      -2.380150     -2.290087      2.602061
  C      -1.679320     -1.731780      1.355362
  C      -2.615140     -1.415069      0.212790
  C      -3.786950     -0.669392      0.407204
  C      -4.635512     -0.376391     -0.660295
  C      -4.329477     -0.822961     -1.948005
  C      -3.166107     -1.564712     -2.156834
  C      -2.321751     -1.856622     -1.084176
  C      -7.226519     -6.375970      6.719899
  N      -6.604175     -5.157784      6.205786
  C      -6.932616     -4.716211      4.816559
  C      -8.341654     -5.116254      4.370007
  C      -9.483344     -4.446499      5.102378
  C     -10.794261     -4.638624      4.638066
  C     -11.879646     -4.034170      5.269584
  C     -11.674482     -3.218500      6.385942
  C     -10.377253     -3.021300      6.859138
  C      -9.290076     -3.628411      6.223977
  C      -3.676140     -5.524605      8.306286
  N      -3.273722     -4.282706      7.653566
  C      -2.246129     -4.423998      6.620143
  C      -0.946128     -4.988283      7.208373
  C      -0.348155     -4.136702      8.304424
  C       0.135887     -4.744109      9.470340
  C       0.728493     -3.992140     10.486942
  C       0.848277     -2.608701     10.352466
  C       0.371558     -1.989859      9.194202
  C      -0.220674     -2.745297      8.182455
  H       0.381594     -3.189813      2.731080
  H       0.538279     -2.708995      4.439690
  H       0.384089     -1.465484      3.193050
  H      -1.619170     -3.412560      4.080325
  H      -3.105008     -1.534997      2.944582
  H      -0.893198     -2.411722      1.000098
  H      -1.163761     -0.810041      1.670171
  H      -4.042357     -0.315040      1.407614
  H      -5.543567      0.202594     -0.484438
  H      -4.994701     -0.595128     -2.781873
  H      -2.915176     -1.920901     -3.157288
  H      -1.415232     -2.443154     -1.252643
  H      -6.841214     -6.557040      7.733829
  H      -8.313683     -6.240445      6.805748
  H      -7.045931     -7.292616      6.123333
  H      -5.581128     -5.271750      6.239875
  H      -6.910621     -3.615011      4.834195
  H      -8.408906     -4.852240      3.301960
  H      -8.473614     -6.209082      4.416330
  H     -10.961224     -5.271346      3.762682
  H     -12.889309     -4.198348      4.889319
  H     -12.521173     -2.742870      6.882892
  H     -10.205145     -2.390890      7.733428
  H      -8.279648     -3.496561      6.619635
  H      -2.911865     -5.842977      9.030108
  H      -3.857097     -6.364835      7.603777
  H      -4.607342     -5.344632      8.860936
  H      -4.082090     -3.881018      7.175241
  H      -2.035003     -3.398897      6.280567
  H      -0.208493     -5.091174      6.395882
  H      -1.111984     -6.002052      7.600337
  H       0.039476     -5.826608      9.584256
  H       1.093192     -4.489466     11.387205
  H       1.307238     -2.015235     11.144358
  H       0.457322     -0.908124      9.078027
  H      -0.590700     -2.241483      7.287254
  N      -4.519095     -2.822263      5.030481
  N      -4.938205     -1.825509      5.764312
  H      -5.233612     -1.956749      6.734936
  H      -4.947998     -0.871322      5.402071
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.885708698190
  N      -3.146770     -3.536524      2.424391
  C      -2.768675     -4.492300      1.339864
  C      -2.427936     -5.871607      1.932801
  N      -3.446602     -6.243746      2.971382
  C      -4.743146     -6.733166      2.383870
  C      -5.895153     -6.508644      3.380740
  N      -5.886298     -5.089605      3.836524
  Mo     -3.993994     -4.319240      4.070253
  N      -2.761911     -5.198401      5.433291
  C      -2.032839     -6.422686      5.007025
  C      -2.896612     -7.189723      3.996404
  H      -1.820686     -7.105249      5.848448
  H      -1.049327     -6.180340      4.554322
  H      -3.754322     -7.630364      4.521989
  H      -2.326817     -8.005986      3.515636
  H      -6.837372     -6.759510      2.860145
  H      -5.808085     -7.225179      4.223198
  H      -4.936692     -6.145022      1.476384
  H      -4.662538     -7.797059      2.095431
  H      -1.905485     -4.149091      0.752161
  H      -3.604313     -4.584337      0.622455
  H      -1.458261     -5.801725      2.447319
  H      -2.351646     -6.657524      1.158117
  C       0.052448     -2.466437      3.503598
  N      -1.391681     -2.479988      3.768549
  C      -2.366513     -2.301723      2.625715
  C      -1.677534     -1.736163      1.375297
  C      -2.624889     -1.419978      0.242323
  C      -3.792470     -0.670746      0.448241
  C      -4.652497     -0.378355     -0.610194
  C      -4.362262     -0.828857     -1.900205
  C      -3.203063     -1.573810     -2.120520
  C      -2.347243     -1.865230     -1.056834
  C      -7.255100     -6.394887      6.698668
  N      -6.621289     -5.176019      6.201741
  C      -6.931607     -4.718651      4.814728
  C      -8.340797     -5.101966      4.353373
  C      -9.482561     -4.426499      5.080003
  C     -10.790154     -4.595862      4.597699
  C     -11.875290     -3.985566      5.223992
  C     -11.673227     -3.186812      6.353108
  C     -10.379364     -3.012234      6.844088
  C      -9.292424     -3.625170      6.214090
  C      -3.651142     -5.603669      8.293233
  N      -3.268772     -4.339096      7.672986
  C      -2.250398     -4.439178      6.625374
  C      -0.926407     -4.972806      7.188702
  C      -0.335099     -4.108114      8.277348
  C       0.140096     -4.697808      9.455778
  C       0.723135     -3.929849     10.466017
  C       0.842354     -2.548402     10.311959
  C       0.375214     -1.947338      9.140409
  C      -0.207509     -2.718605      8.135214
  H       0.401577     -3.185868      2.735408
  H       0.560957     -2.715132      4.446512
  H       0.393866     -1.464692      3.208588
  H      -1.596128     -3.426290      4.101312
  H      -3.092111     -1.549603      2.973518
  H      -0.891196     -2.411393      1.011405
  H      -1.163483     -0.813001      1.688514
  H      -4.035291     -0.312829      1.450548
  H      -5.557008      0.203405     -0.425460
  H      -5.036371     -0.601375     -2.727000
  H      -2.964297     -1.932819     -3.122941
  H      -1.444026     -2.454178     -1.234202
  H      -6.876716     -6.590174      7.712546
  H      -8.341770     -6.251947      6.780409
  H      -7.078728     -7.306389      6.092997
  H      -5.599680     -5.290462      6.250267
  H      -6.899109     -3.618001      4.843159
  H      -8.396314     -4.830858      3.286466
  H      -8.483438     -6.193798      4.391631
  H     -10.954545     -5.215200      3.712314
  H     -12.882298     -4.131840      4.829631
  H     -12.519726     -2.706637      6.846000
  H     -10.209765     -2.395065      7.728263
  H      -8.285086     -3.510735      6.622628
  H      -2.873694     -5.936743      8.996116
  H      -3.834572     -6.423235      7.567346
  H      -4.575379     -5.450020      8.867014
  H      -4.086752     -3.932230      7.215774
  H      -2.073453     -3.404397      6.297445
  H      -0.200996     -5.052408      6.362589
  H      -1.058698     -5.992091      7.578989
  H       0.044183     -5.778614      9.584834
  H       1.081082     -4.413193     11.376544
  H       1.294107     -1.942678     11.098691
  H       0.461766     -0.867479      9.008458
  H      -0.568783     -2.229280      7.228223
  N      -4.512214     -2.836733      5.047438
  N      -4.932311     -1.843083      5.784731
  H      -5.191618     -1.971232      6.765818
  H      -4.960286     -0.890613      5.419124
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.887730015253
  N      -3.131548     -3.547152      2.443588
  C      -2.757938     -4.498089      1.357460
  C      -2.424330     -5.879297      1.946897
  N      -3.446046     -6.249140      2.980792
  C      -4.740328     -6.731289      2.387998
  C      -5.892708     -6.507024      3.381364
  N      -5.880882     -5.092168      3.840669
  Mo     -3.987352     -4.327834      4.081247
  N      -2.752768     -5.205919      5.432703
  C      -2.036267     -6.437802      5.015942
  C      -2.903831     -7.198346      4.005097
  H      -1.834811     -7.118250      5.861828
  H      -1.048635     -6.207609      4.566341
  H      -3.765056     -7.632347      4.530411
  H      -2.339963     -8.018907      3.524645
  H      -6.834729     -6.754490      2.858673
  H      -5.808855     -7.226270      4.221846
  H      -4.928979     -6.138052      1.482828
  H      -4.662296     -7.794126      2.094774
  H      -1.891685     -4.156708      0.773040
  H      -3.592580     -4.583535      0.638098
  H      -1.455355     -5.814836      2.463266
  H      -2.350111     -6.663656      1.170424
  C       0.069659     -2.467200      3.507859
  N      -1.372458     -2.491831      3.779055
  C      -2.353922     -2.311731      2.645641
  C      -1.678382     -1.738491      1.391034
  C      -2.638503     -1.424050      0.268581
  C      -3.801936     -0.671766      0.486804
  C      -4.674710     -0.381083     -0.561624
  C      -4.401499     -0.836116     -1.853809
  C      -3.246404     -1.583756     -2.086416
  C      -2.377834     -1.873606     -1.032621
  C      -7.276139     -6.413715      6.680228
  N      -6.634123     -5.193296      6.198937
  C      -6.928469     -4.721893      4.814247
  C      -8.337622     -5.090315      4.339792
  C      -9.479788     -4.407852      5.059113
  C     -10.783680     -4.558119      4.560535
  C     -11.869032     -3.941235      5.180026
  C     -11.670920     -3.154693      6.318428
  C     -10.380763     -2.998684      6.825234
  C      -9.293599     -3.618243      6.202029
  C      -3.629876     -5.672402      8.277221
  N      -3.259976     -4.388553      7.689932
  C      -2.251213     -4.453045      6.629926
  C      -0.907716     -4.960535      7.171647
  C      -0.323794     -4.085151      8.255024
  C       0.135268     -4.658617      9.447632
  C       0.707202     -3.876797     10.453686
  C       0.831423     -2.498005     10.280732
  C       0.380852     -1.913197      9.094431
  C      -0.190752     -2.698174      8.093526
  H       0.420415     -3.179432      2.733553
  H       0.584579     -2.718088      4.446718
  H       0.403070     -1.461382      3.217276
  H      -1.572750     -3.436961      4.118068
  H      -3.080620     -1.563276      2.999322
  H      -0.891640     -2.408418      1.018075
  H      -1.166433     -0.813396      1.702140
  H      -4.031201     -0.309813      1.490895
  H      -5.575706      0.203086     -0.367413
  H      -5.085474     -0.609806     -2.672821
  H      -3.020738     -1.945998     -3.090738
  H      -1.477848     -2.464535     -1.219554
  H      -6.902826     -6.621822      7.693440
  H      -8.362454     -6.265682      6.759452
  H      -7.102726     -7.319889      6.065754
  H      -5.613966     -5.307042      6.260538
  H      -6.886991     -3.621896      4.852534
  H      -8.382019     -4.814959      3.273480
  H      -8.490389     -6.181022      4.372589
  H     -10.944885     -5.167797      3.667856
  H     -12.873087     -4.072715      4.773040
  H     -12.517595     -2.669348      6.805997
  H     -10.214304     -2.390860      7.716489
  H      -8.289505     -3.517729      6.621856
  H      -2.840535     -6.024707      8.957080
  H      -3.823259     -6.469350      7.529076
  H      -4.544779     -5.539377      8.870675
  H      -4.085142     -3.973209      7.253715
  H      -2.102792     -3.410608      6.313800
  H      -0.193377     -5.019310      6.334197
  H      -1.010769     -5.984238      7.559161
  H       0.035575     -5.737229      9.591224
  H       1.052879     -4.347289     11.375644
  H       1.274796     -1.881699     11.064038
  H       0.472467     -0.835689      8.947357
  H      -0.538215     -2.222071      7.173936
  N      -4.504263     -2.849449      5.061758
  N      -4.925804     -1.858788      5.802057
  H      -5.141835     -1.981738      6.794079
  H      -4.963929     -0.907233      5.435166
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.889546835889
  N      -3.116387     -3.556452      2.460259
  C      -2.745969     -4.503375      1.373629
  C      -2.419643     -5.886125      1.960596
  N      -3.444981     -6.253237      2.989415
  C      -4.736777     -6.728094      2.390798
  C      -5.890068     -6.504004      3.380108
  N      -5.875101     -5.093577      3.843718
  Mo     -3.980638     -4.334621      4.090500
  N      -2.743676     -5.211194      5.431347
  C      -2.040664     -6.451434      5.024997
  C      -2.911444     -7.205388      4.013508
  H      -1.851405     -7.129471      5.875682
  H      -1.048386     -6.234343      4.579529
  H      -3.776615     -7.632544      4.537935
  H      -2.353339     -8.030397      3.533926
  H      -6.831637     -6.747341      2.854537
  H      -5.810379     -7.226498      4.218224
  H      -4.919979     -6.129929      1.487775
  H      -4.661213     -7.789898      2.092996
  H      -1.876301     -4.164024      0.792921
  H      -3.578933     -4.583021      0.651659
  H      -1.451684     -5.826893      2.479339
  H      -2.347050     -6.669232      1.182686
  C       0.086725     -2.466655      3.508396
  N      -1.353223     -2.501379      3.786341
  C      -2.341625     -2.320167      2.662381
  C      -1.679630     -1.739448      1.403645
  C      -2.652356     -1.427633      0.291596
  C      -3.811619     -0.672287      0.521511
  C      -4.697053     -0.384143     -0.516957
  C      -4.440814     -0.844583     -1.810756
  C      -3.289866     -1.594949     -2.055042
  C      -2.408619     -1.882390     -1.011086
  C      -7.294576     -6.430226      6.661941
  N      -6.645551     -5.208179      6.195385
  C      -6.924869     -4.724231      4.812991
  C      -8.333575     -5.079422      4.326468
  C      -9.476171     -4.392346      5.040552
  C     -10.776401     -4.525026      4.527443
  C     -11.862051     -3.903933      5.142260
  C     -11.667941     -3.130691      6.290479
  C     -10.381451     -2.991973      6.811530
  C      -9.293982     -3.615742      6.192975
  C      -3.614221     -5.728254      8.261268
  N      -3.250806     -4.429519      7.703370
  C      -2.250716     -4.465116      6.633517
  C      -0.891992     -4.951236      7.157863
  C      -0.314740     -4.066464      8.236546
  C       0.122618     -4.624178      9.444530
  C       0.683775     -3.829901     10.446991
  C       0.818951     -2.454696     10.254564
  C       0.390550     -1.885688      9.052346
  C      -0.170234     -2.682994      8.055091
  H       0.438286     -3.172225      2.728216
  H       0.608340     -2.719451      4.443038
  H       0.412544     -1.457179      3.221589
  H      -1.549698     -3.445150      4.131700
  H      -3.069545     -1.575566      3.021914
  H      -0.892376     -2.404012      1.022060
  H      -1.170130     -0.812187      1.712464
  H      -4.027360     -0.305633      1.526937
  H      -5.594506      0.202469     -0.313760
  H      -5.134583     -0.620085     -2.622031
  H      -3.077265     -1.961087     -3.060831
  H      -1.511895     -2.475318     -1.207130
  H      -6.925937     -6.650124      7.674387
  H      -8.380628     -6.277995      6.738853
  H      -7.123353     -7.331218      6.039262
  H      -5.626846     -5.320747      6.269481
  H      -6.875685     -3.624961      4.860554
  H      -8.368327     -4.799029      3.261134
  H      -8.494927     -6.169140      4.352943
  H     -10.934397     -5.124246      3.627104
  H     -12.863182     -4.021657      4.723926
  H     -12.514866     -2.642102      6.774432
  H     -10.218183     -2.394438      7.710336
  H      -8.293055     -3.528356      6.622976
  H      -2.814733     -6.100543      8.918186
  H      -3.821891     -6.503611      7.494561
  H      -4.518754     -5.610187      8.873399
  H      -4.080897     -4.004574      7.286158
  H      -2.124987     -3.416903      6.327999
  H      -0.187107     -4.993825      6.311451
  H      -0.971335     -5.977778      7.543492
  H       0.014542     -5.699873      9.603061
  H       1.012750     -4.287881     11.381309
  H       1.254233     -1.828899     11.034912
  H       0.491935     -0.811266      8.889738
  H      -0.499540     -2.219770      7.122085
  N      -4.496307     -2.859440      5.073092
  N      -4.919784     -1.871503      5.815861
  H      -5.082487     -1.986390      6.818900
  H      -4.954166     -0.919339      5.450290
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.891014177292
  N      -3.103952     -3.564333      2.475063
  C      -2.735632     -4.507635      1.387936
  C      -2.415804     -5.891907      1.972469
  N      -3.444503     -6.256941      2.996637
  C      -4.734066     -6.725369      2.392512
  C      -5.888555     -6.501792      3.378047
  N      -5.870615     -5.095502      3.846531
  Mo     -3.975559     -4.340970      4.098897
  N      -2.736603     -5.216721      5.430767
  C      -2.045093     -6.463810      5.032711
  C      -2.918475     -7.211854      4.020284
  H      -1.866260     -7.140065      5.887081
  H      -1.048928     -6.257548      4.591107
  H      -3.787029     -7.633416      4.543629
  H      -2.365128     -8.040412      3.541280
  H      -6.829534     -6.740782      2.849333
  H      -5.813160     -7.227776      4.213548
  H      -4.912250     -6.122620      1.491566
  H      -4.660534     -7.786139      2.090376
  H      -1.862785     -4.169879      0.810906
  H      -3.566764     -4.582183      0.663314
  H      -1.448862     -5.837422      2.493485
  H      -2.344452     -6.673642      1.193050
  C       0.100681     -2.466989      3.509495
  N      -1.337294     -2.509869      3.793473
  C      -2.331737     -2.327327      2.677719
  C      -1.681469     -1.739460      1.415868
  C      -2.664859     -1.430007      0.312806
  C      -3.820580     -0.672219      0.552606
  C      -4.716741     -0.386382     -0.477251
  C      -4.474892     -0.851410     -1.772220
  C      -3.327479     -1.603946     -2.026372
  C      -2.435488     -1.889193     -0.990923
  C      -7.309875     -6.445852      6.645905
  N      -6.655572     -5.222050      6.192364
  C      -6.922311     -4.727158      4.812194
  C      -8.330465     -5.070888      4.315209
  C      -9.473596     -4.379204      5.023950
  C     -10.770341     -4.497854      4.498587
  C     -11.856437     -3.872542      5.108372
  C     -11.666292     -3.108947      6.263720
  C     -10.383276     -2.983877      6.796704
  C      -9.295358     -3.611893      6.183184
  C      -3.599342     -5.775264      8.250017
  N      -3.242643     -4.465076      7.714911
  C      -2.250447     -4.476637      6.636956
  C      -0.879203     -4.944270      7.146498
  C      -0.307307     -4.050660      8.220152
  C       0.112362     -4.593609      9.440923
  C       0.664577     -3.787719     10.439140
  C       0.808400     -2.415918     10.229259
  C       0.397916     -1.861719      9.013845
  C      -0.153795     -2.670566      8.020836
  H       0.452389     -3.166729      2.724019
  H       0.628214     -2.721817      4.440250
  H       0.420284     -1.454478      3.226144
  H      -1.530883     -3.452497      4.143789
  H      -3.060724     -1.586338      3.042722
  H      -0.893618     -2.399041      1.026795
  H      -1.174464     -0.810306      1.723207
  H      -4.024841     -0.301585      1.559008
  H      -5.611170      0.202194     -0.266466
  H      -5.176951     -0.628548     -2.576808
  H      -3.125953     -1.973375     -3.033256
  H      -1.541540     -2.483695     -1.194680
  H      -6.945048     -6.675960      7.657479
  H      -8.395749     -6.290627      6.721017
  H      -7.140042     -7.342041      6.015944
  H      -5.638141     -5.333449      6.276774
  H      -6.866653     -3.628620      4.867914
  H      -8.356536     -4.786811      3.250628
  H      -8.499375     -6.159633      4.336777
  H     -10.925163     -5.089438      3.592643
  H     -12.854774     -3.979335      4.680484
  H     -12.513565     -2.617053      6.743747
  H     -10.223121     -2.393660      7.700912
  H      -8.297364     -3.534564      6.621610
  H      -2.790557     -6.162380      8.886606
  H      -3.819555     -6.533440      7.469829
  H      -4.494267     -5.669955      8.878278
  H      -4.077371     -4.033839      7.313656
  H      -2.143756     -3.423994      6.340336
  H      -0.182857     -4.974128      6.292475
  H      -0.938625     -5.972505      7.531272
  H      -0.002301     -5.666546      9.612814
  H       0.980013     -4.233969     11.383765
  H       1.236945     -1.781261     11.006194
  H       0.506995     -0.790221      8.837416
  H      -0.468674     -2.219508      7.076712
  N      -4.490291     -2.868616      5.083479
  N      -4.915926     -1.883286      5.828709
  H      -5.016142     -1.988219      6.841046
  H      -4.931272     -0.929269      5.466576
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.892233611375
  N      -3.093320     -3.571082      2.487975
  C      -2.726477     -4.511109      1.400263
  C      -2.412521     -5.896869      1.982412
  N      -3.444328     -6.260293      3.002368
  C      -4.731925     -6.723040      2.393189
  C      -5.887705     -6.500026      3.375317
  N      -5.867130     -5.097393      3.848470
  Mo     -3.971664     -4.346754      4.106084
  N      -2.731402     -5.222303      5.430509
  C      -2.049323     -6.474808      5.039003
  C      -2.924758     -7.217718      4.025504
  H      -1.879112     -7.149734      5.896185
  H      -1.049991     -6.277236      4.600844
  H      -3.796204     -7.634692      4.547710
  H      -2.375335     -8.049124      3.546893
  H      -6.828045     -6.734895      2.843544
  H      -5.816397     -7.229297      4.208313
  H      -4.905544     -6.116172      1.494146
  H      -4.660097     -7.782836      2.087119
  H      -1.850707     -4.174666      0.826754
  H      -3.555790     -4.581049      0.673100
  H      -1.446560     -5.846714      2.505565
  H      -2.342153     -6.677217      1.201503
  C       0.112554     -2.468090      3.511313
  N      -1.323721     -2.517570      3.800316
  C      -2.323222     -2.333574      2.691492
  C      -1.682858     -1.739257      1.427318
  C      -2.675114     -1.431833      0.331865
  C      -3.827888     -0.672138      0.579908
  C      -4.733027     -0.388367     -0.442629
  C      -4.503199     -0.857235     -1.738437
  C      -3.358724     -1.611447     -2.000819
  C      -2.457743     -1.894724     -0.972599
  C      -7.323682     -6.459764      6.630977
  N      -6.664769     -5.234450      6.189095
  C      -6.920537     -4.729909      4.811062
  C      -8.328096     -5.063432      4.305066
  C      -9.471291     -4.368130      5.010078
  C     -10.765089     -4.474194      4.474751
  C     -11.851171     -3.845466      5.081082
  C     -11.663963     -3.090974      6.242904
  C     -10.383873     -2.978260      6.785638
  C      -9.295971     -3.609705      6.175573
  C      -3.587634     -5.815721      8.240710
  N      -3.236892     -4.496373      7.724374
  C      -2.251258     -4.487391      6.640156
  C      -0.869734     -4.938744      7.137400
  C      -0.302434     -4.036617      8.205847
  C       0.103397     -4.565685      9.437220
  C       0.648019     -3.748799     10.430710
  C       0.797928     -2.380106     10.205134
  C       0.401338     -1.839826      8.978811
  C      -0.142650     -2.659621      7.990526
  H       0.464165     -3.162844      2.721280
  H       0.645046     -2.724865      4.438701
  H       0.427150     -1.453085      3.231069
  H      -1.515079     -3.459259      4.154597
  H      -3.053106     -1.595783      3.061320
  H      -0.894438     -2.394420      1.031876
  H      -1.178162     -0.808512      1.733726
  H      -4.022574     -0.298214      1.587025
  H      -5.624947      0.201732     -0.225519
  H      -5.212196     -0.635845     -2.537347
  H      -3.166450     -1.983626     -3.008514
  H      -1.566112     -2.490451     -1.182790
  H      -6.962390     -6.698870      7.641753
  H      -8.409405     -6.301953      6.704347
  H      -7.154891     -7.351637      5.994627
  H      -5.648518     -5.344965      6.282350
  H      -6.859232     -3.632109      4.874123
  H      -8.346862     -4.775507      3.241386
  H      -8.503573     -6.151281      4.321734
  H     -10.917540     -5.058569      3.563720
  H     -12.847158     -3.942382      4.645392
  H     -12.511223     -2.596405      6.720237
  H     -10.226033     -2.394993      7.694766
  H      -8.300416     -3.541531      6.620867
  H      -2.771045     -6.214381      8.859932
  H      -3.818327     -6.559701      7.450054
  H      -4.474280     -5.721435      8.882263
  H      -4.075638     -4.060741      7.336368
  H      -2.160805     -3.431274      6.351169
  H      -0.180921     -4.958607      6.276966
  H      -0.912321     -5.967828      7.522183
  H      -0.015903     -5.636102      9.621146
  H       0.952929     -4.184019     11.383913
  H       1.220744     -1.737057     10.978314
  H       0.515867     -0.770989      8.790044
  H      -0.446588     -2.220063      7.037225
  N      -4.485466     -2.876896      5.092254
  N      -4.913080     -1.893519      5.839763
  H      -4.944053     -1.987109      6.857921
  H      -4.899218     -0.938239      5.480418
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.893319009279
  N      -3.083832     -3.577113      2.500907
  C      -2.717865     -4.513862      1.412508
  C      -2.409428     -5.901148      1.992114
  N      -3.444358     -6.263451      3.007834
  C      -4.729998     -6.720776      2.393531
  C      -5.887245     -6.498674      3.372323
  N      -5.864370     -5.099609      3.850411
  Mo     -3.968746     -4.352431      4.113447
  N      -2.727568     -5.228282      5.431128
  C      -2.053915     -6.485456      5.045191
  C      -2.930913     -7.223456      4.030337
  H      -1.891454     -7.159327      5.904703
  H      -1.051755     -6.295425      4.610395
  H      -3.805089     -7.636459      4.551136
  H      -2.384900     -8.057260      3.551966
  H      -6.826824     -6.729408      2.837325
  H      -5.820012     -7.231353      4.202657
  H      -4.899149     -6.109811      1.496438
  H      -4.659599     -7.779545      2.083476
  H      -1.839241     -4.178419      0.842643
  H      -3.545226     -4.579418      0.682709
  H      -1.444520     -5.855154      2.517487
  H      -2.339746     -6.679955      1.209593
  C       0.122984     -2.469402      3.514640
  N      -1.311728     -2.524728      3.808198
  C      -2.315810     -2.339166      2.705692
  C      -1.684449     -1.738401      1.439782
  C      -2.684628     -1.432879      0.351225
  C      -3.834939     -0.671842      0.606710
  C      -4.748170     -0.390085     -0.409160
  C      -4.528973     -0.862183     -1.705679
  C      -3.386945     -1.617518     -1.975495
  C      -2.477864     -1.898872     -0.953854
  C      -7.337166     -6.473849      6.616453
  N      -6.674114     -5.246941      6.185971
  C      -6.919522     -4.733139      4.810125
  C      -8.326297     -5.057017      4.295381
  C      -9.469672     -4.358194      4.996578
  C     -10.760514     -4.452884      4.451956
  C     -11.846681     -3.820778      5.054668
  C     -11.662513     -3.074190      6.222105
  C     -10.385350     -2.972609      6.773912
  C      -9.297367     -3.607456      6.167482
  C      -3.577269     -5.852439      8.233530
  N      -3.231699     -4.525330      7.733671
  C      -2.252429     -4.498226      6.643796
  C      -0.861915     -4.935022      7.129689
  C      -0.297645     -4.024030      8.191737
  C       0.096401     -4.538736      9.432880
  C       0.635145     -3.710627     10.420317
  C       0.790817     -2.345295     10.178550
  C       0.406001     -1.819414      8.942185
  C      -0.132007     -2.650384      7.959960
  H       0.474330     -3.159519      2.720346
  H       0.659983     -2.728162      4.438872
  H       0.433172     -1.452153      3.237413
  H      -1.501118     -3.465643      4.165777
  H      -3.046627     -1.604573      3.080167
  H      -0.895333     -2.389219      1.038495
  H      -1.182157     -0.806186      1.745758
  H      -4.021176     -0.295178      1.614438
  H      -5.637995      0.201076     -0.186342
  H      -5.244222     -0.642240     -2.499424
  H      -3.202849     -1.991987     -2.983890
  H      -1.588170     -2.495414     -1.169862
  H      -6.979490     -6.721480      7.626488
  H      -8.422800     -6.313889      6.687884
  H      -7.168897     -7.361479      5.974041
  H      -5.658990     -5.356632      6.287590
  H      -6.853041     -3.636117      4.880336
  H      -8.337922     -4.765522      3.232588
  H      -8.507956     -6.143974      4.307417
  H     -10.910524     -5.030972      3.536492
  H     -12.840313     -3.908773      4.611709
  H     -12.509836     -2.576943      6.696592
  H     -10.229890     -2.395300      7.687265
  H      -8.304221     -3.547408      6.619125
  H      -2.753535     -6.261271      8.836431
  H      -3.818241     -6.583686      7.434225
  H      -4.455843     -5.767877      8.887388
  H      -4.074153     -4.085997      7.357897
  H      -2.176275     -3.439268      6.361626
  H      -0.180625     -4.947513      6.263123
  H      -0.889845     -5.964145      7.515753
  H      -0.027329     -5.606422      9.629276
  H       0.931100     -4.134429     11.381474
  H       1.209248     -1.693682     10.946958
  H       0.525609     -0.753429      8.740759
  H      -0.426811     -2.222756      6.998212
  N      -4.481520     -2.885064      5.100783
  N      -4.911041     -1.902829      5.850612
  H      -4.869386     -1.984163      6.870003
  H      -4.865073     -0.948119      5.491209
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.894387376761
  N      -3.073428     -3.583184      2.515679
  C      -2.707752     -4.516312      1.426565
  C      -2.405544     -5.905376      2.003228
  N      -3.444258     -6.266720      3.013905
  C      -4.727686     -6.717775      2.393496
  C      -5.886867     -6.496941      3.368409
  N      -5.861506     -5.101982      3.852642
  Mo     -3.965946     -4.358490      4.122056
  N      -2.724259     -5.235400      5.432609
  C      -2.059476     -6.497390      5.052301
  C      -2.937789     -7.229835      4.035584
  H      -1.905327     -7.170246      5.914122
  H      -1.054288     -6.315087      4.621446
  H      -3.815072     -7.638794      4.554362
  H      -2.395245     -8.066022      3.557380
  H      -6.825417     -6.722601      2.829357
  H      -5.824627     -7.233828      4.195385
  H      -4.891564     -6.102067      1.498697
  H      -4.658815     -7.775310      2.078759
  H      -1.825770     -4.181831      0.861162
  H      -3.532571     -4.577054      0.693457
  H      -1.441988     -5.864114      2.531367
  H      -2.336333     -6.682299      1.218767
  C       0.134454     -2.471291      3.519069
  N      -1.298554     -2.532223      3.817804
  C      -2.307702     -2.344805      2.722147
  C      -1.685914     -1.736677      1.454747
  C      -2.694374     -1.433290      0.373487
  C      -3.842222     -0.671097      0.636801
  C      -4.764046     -0.391727     -0.371945
  C      -4.555984     -0.867246     -1.669105
  C      -3.416397     -1.623493     -1.946747
  C      -2.498712     -1.902552     -0.932131
  C      -7.352346     -6.489634      6.600003
  N      -6.684822     -5.260845      6.182551
  C      -6.918683     -4.736795      4.809267
  C      -8.324297     -5.050097      4.284610
  C      -9.467958     -4.347853      4.981875
  C     -10.755415     -4.430182      4.427198
  C     -11.841720     -3.794681      5.026165
  C     -11.661066     -3.057008      6.199855
  C     -10.387254     -2.967595      6.761514
  C      -9.299140     -3.605861      6.158854
  C      -3.567550     -5.890815      8.226988
  N      -3.226218     -4.556232      7.744115
  C      -2.253855     -4.510867      6.648527
  C      -0.854501     -4.933279      7.122626
  C      -0.292008     -4.011634      8.175895
  C       0.089454     -4.508815      9.427961
  C       0.623084     -3.667356     10.406918
  C       0.786051     -2.306458     10.145326
  C       0.413705     -1.798143      8.897770
  C      -0.119105     -2.642400      7.924035
  H       0.484951     -3.156622      2.720178
  H       0.676372     -2.732350      4.439779
  H       0.440326     -1.451823      3.244972
  H      -1.485969     -3.472361      4.178643
  H      -3.039577     -1.613936      3.101953
  H      -0.895929     -2.382625      1.047249
  H      -1.186414     -0.802907      1.760647
  H      -4.019635     -0.291607      1.645099
  H      -5.651781      0.200332     -0.143131
  H      -5.277877     -0.649049     -2.457343
  H      -3.240870     -2.000377     -2.955806
  H      -1.610967     -2.499769     -1.154264
  H      -6.999187     -6.746612      7.609330
  H      -8.437950     -6.327581      6.668724
  H      -7.184021     -7.372466      5.950997
  H      -5.670983     -5.369714      6.293643
  H      -6.846719     -3.640717      4.887569
  H      -8.327986     -4.754209      3.222986
  H      -8.512574     -6.136050      4.290997
  H     -10.902616     -5.001167      3.506788
  H     -12.832663     -3.872930      4.575330
  H     -12.508498     -2.557056      6.671383
  H     -10.234553     -2.397009      7.679579
  H      -8.308728     -3.554736      6.617392
  H      -2.736400     -6.310916      8.811713
  H      -3.821095     -6.608447      7.419423
  H      -4.436723     -5.815571      8.894405
  H      -4.072332     -4.112607      7.381585
  H      -2.191651     -3.449187      6.373571
  H      -0.181659     -4.940398      6.249421
  H      -0.868297     -5.961576      7.511695
  H      -0.039949     -5.572893      9.639698
  H       0.909467     -4.077216     11.377013
  H       1.200718     -1.644666     10.907093
  H       0.539535     -0.735872      8.680933
  H      -0.404472     -2.229329      6.952919
  N      -4.476947     -2.893641      5.109822
  N      -4.908837     -1.911832      5.862721
  H      -4.793718     -1.979013      6.878543
  H      -4.839002     -0.959651      5.498115
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.895499374357
  N      -3.060429     -3.590009      2.533321
  C      -2.694454     -4.519054      1.443619
  C      -2.399996     -5.910315      2.016823
  N      -3.443537     -6.270547      3.021199
  C      -4.724315     -6.713747      2.393114
  C      -5.886169     -6.494410      3.363084
  N      -5.857620     -5.104595      3.855514
  Mo     -3.962350     -4.365426      4.132567
  N      -2.720634     -5.244336      5.434966
  C      -2.066130     -6.511837      5.061062
  C      -2.945619     -7.237553      4.041819
  H      -1.921769     -7.183501      5.925481
  H      -1.057387     -6.338323      4.635199
  H      -3.826697     -7.641982      4.557737
  H      -2.406928     -8.076358      3.563774
  H      -6.823274     -6.713213      2.818588
  H      -5.830670     -7.236838      4.185545
  H      -4.881411     -6.092228      1.501158
  H      -4.657366     -7.769739      2.072623
  H      -1.808177     -4.185782      0.884019
  H      -3.515770     -4.574119      0.706100
  H      -1.438224     -5.874933      2.548507
  H      -2.331194     -6.684890      1.229967
  C       0.149109     -2.474675      3.523558
  N      -1.281779     -2.540951      3.829158
  C      -2.297312     -2.351205      2.741838
  C      -1.687027     -1.733955      1.472941
  C      -2.705367     -1.432937      0.400604
  C      -3.850170     -0.669389      0.673482
  C      -4.782403     -0.392860     -0.326449
  C      -4.587891     -0.872449     -1.624292
  C      -3.451322     -1.629752     -1.911498
  C      -2.523202     -1.906061     -0.905573
  C      -7.369626     -6.508187      6.580417
  N      -6.697123     -5.277035      6.178718
  C      -6.917229     -4.740996      4.808625
  C      -8.321222     -5.041803      4.272134
  C      -9.465351     -4.335675      4.964725
  C     -10.748632     -4.403969      4.398433
  C     -11.835217     -3.764633      4.992922
  C     -11.659004     -3.037114      6.173669
  C     -10.389325     -2.961521      6.746714
  C      -9.300942     -3.603641      6.148568
  C      -3.557386     -5.934836      8.220144
  N      -3.219631     -4.592349      7.756652
  C      -2.255313     -4.526706      6.654891
  C      -0.846565     -4.933774      7.115886
  C      -0.284991     -3.998666      8.157148
  C       0.080757     -4.472991      9.422580
  C       0.609224     -3.614699     10.389736
  C       0.782514     -2.260158     10.102469
  C       0.425643     -1.774744      8.841262
  C      -0.101948     -2.635742      7.879341
  H       0.497527     -3.154878      2.719288
  H       0.697109     -2.738564      4.439857
  H       0.450571     -1.452957      3.252684
  H      -1.467239     -3.480134      4.193646
  H      -3.030300     -1.624991      3.128510
  H      -0.896172     -2.374053      1.057863
  H      -1.190780     -0.798505      1.779095
  H      -4.016865     -0.286624      1.682421
  H      -5.667569      0.200233     -0.090314
  H      -5.317841     -0.656354     -2.405722
  H      -3.286239     -2.009504     -2.921293
  H      -1.637891     -2.504093     -1.135192
  H      -7.022223     -6.776049      7.588959
  H      -8.455270     -6.344065      6.645437
  H      -7.200510     -7.385214      5.923766
  H      -5.684907     -5.384983      6.301224
  H      -6.838963     -3.646132      4.896561
  H      -8.315415     -4.740633      3.212019
  H      -8.517189     -6.126504      4.271624
  H     -10.892307     -4.966869      3.472442
  H     -12.822849     -3.831814      4.533002
  H     -12.506662     -2.534115      6.641658
  H     -10.240111     -2.398580      7.670101
  H      -8.313888     -3.562673      6.615094
  H      -2.717755     -6.368659      8.782354
  H      -3.827625     -6.636370      7.404079
  H      -4.414424     -5.869513      8.904101
  H      -4.069655     -4.143207      7.409957
  H      -2.207840     -3.462150      6.388474
  H      -0.183703     -4.937191      6.235092
  H      -0.845645     -5.960264      7.510014
  H      -0.056735     -5.531898      9.654262
  H       0.883623     -4.006363     11.370797
  H       1.193431     -1.585545     10.855034
  H       0.560035     -0.717735      8.604550
  H      -0.375878     -2.241630      6.896891
  N      -4.470398     -2.902830      5.119827
  N      -4.906094     -1.921690      5.877245
  H      -4.724917     -1.972852      6.885741
  H      -4.831419     -0.972601      5.502533
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.896595697640
  N      -3.044836     -3.597505      2.552286
  C      -2.678049     -4.522486      1.462379
  C      -2.392690     -5.916211      2.032058
  N      -3.441862     -6.274896      3.029281
  C      -4.719659     -6.709122      2.392415
  C      -5.884817     -6.491100      3.356558
  N      -5.852410     -5.107140      3.858615
  Mo     -3.957600     -4.372758      4.143900
  N      -2.716436     -5.254357      5.437802
  C      -2.073142     -6.527813      5.070971
  C      -2.953671     -7.246175      4.048826
  H      -1.939454     -7.197974      5.938246
  H      -1.060544     -6.363869      4.650787
  H      -3.839010     -7.645661      4.561330
  H      -2.419067     -8.087818      3.571097
  H      -6.820109     -6.701646      2.805576
  H      -5.837483     -7.239897      4.173706
  H      -4.868726     -6.081173      1.503642
  H      -4.655018     -7.763393      2.065616
  H      -1.786649     -4.190869      0.909698
  H      -3.494987     -4.571331      0.719524
  H      -1.433044     -5.887590      2.567825
  H      -2.324317     -6.688239      1.242618
  C       0.167093     -2.480068      3.526347
  N      -1.261242     -2.550757      3.840533
  C      -2.284371     -2.358352      2.762889
  C      -1.687465     -1.730627      1.492396
  C      -2.717353     -1.431845      0.430857
  C      -3.858236     -0.666487      0.715268
  C      -4.802744     -0.392941     -0.273902
  C      -4.624563     -0.877211     -1.572432
  C      -3.491899     -1.635978     -1.871170
  C      -2.551445     -1.909377     -0.875867
  C      -7.387642     -6.527702      6.558636
  N      -6.710019     -5.293985      6.174310
  C      -6.914795     -4.745156      4.807856
  C      -8.316805     -5.032288      4.258492
  C      -9.461521     -4.322188      4.946130
  C     -10.740079     -4.375688      4.367548
  C     -11.827064     -3.732547      4.957316
  C     -11.655972     -3.016010      6.145568
  C     -10.390982     -2.955006      6.730682
  C      -9.302204     -3.600924      6.137280
  C      -3.547697     -5.982064      8.212291
  N      -3.212378     -4.631639      7.770176
  C      -2.256644     -4.544593      6.662388
  C      -0.838603     -4.936183      7.110197
  C      -0.277585     -3.985676      8.137121
  C       0.068229     -4.432601      9.417905
  C       0.591152     -3.555054     10.370765
  C       0.778596     -2.209040     10.053307
  C       0.441336     -1.751070      8.776471
  C      -0.080755     -2.631182      7.828879
  H       0.511918     -3.155327      2.716272
  H       0.722195     -2.747083      4.437451
  H       0.464422     -1.456312      3.258322
  H      -1.445078     -3.488691      4.209166
  H      -3.018245     -1.637434      3.157820
  H      -0.896154     -2.364210      1.068198
  H      -1.194510     -0.793571      1.799026
  H      -4.012024     -0.280044      1.724909
  H      -5.684617      0.201526     -0.028923
  H      -5.364036     -0.663346     -2.345537
  H      -3.339430     -2.019044     -2.881741
  H      -1.669307     -2.508589     -1.114491
  H      -7.046869     -6.807195      7.566322
  H      -8.473371     -6.361631      6.619179
  H      -7.217037     -7.398320      5.893888
  H      -5.699755     -5.400870      6.309492
  H      -6.829703     -3.651730      4.906233
  H      -8.300609     -4.725284      3.200181
  H      -8.520924     -6.115538      4.250291
  H     -10.879704     -4.929894      3.435663
  H     -12.810946     -3.788070      4.487797
  H     -12.503960     -2.510048      6.609859
  H     -10.245789     -2.400411      7.659784
  H      -8.318985     -3.570821      6.612388
  H      -2.699187     -6.431533      8.748352
  H      -3.838005     -6.665377      7.387894
  H      -4.390264     -5.927155      8.914888
  H      -4.066077     -4.175664      7.441315
  H      -2.224015     -3.477248      6.405456
  H      -0.186310     -4.937860      6.221629
  H      -0.823346     -5.959954      7.511122
  H      -0.080468     -5.484561      9.673150
  H       0.850262     -3.924906     11.364406
  H       1.185524     -1.519780     10.794751
  H       0.587217     -0.701048      8.516435
  H      -0.340368     -2.259682      6.833583
  N      -4.461928     -2.911463      5.129867
  N      -4.902976     -1.932019      5.892647
  H      -4.668887     -1.966607      6.892103
  H      -4.841245     -0.985705      5.506134
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.897609504406
  N      -3.027303     -3.605526      2.571227
  C      -2.659296     -4.526833      1.481614
  C      -2.384046     -5.923124      2.048050
  N      -3.439306     -6.279678      3.037793
  C      -4.713929     -6.704550      2.391693
  C      -5.882739     -6.487401      3.349522
  N      -5.846041     -5.109532      3.861688
  Mo     -3.951798     -4.380069      4.155141
  N      -2.711675     -5.264620      5.440951
  C      -2.079950     -6.544159      5.081525
  C      -2.961430     -7.255162      4.056467
  H      -1.957053     -7.212512      5.951755
  H      -1.063487     -6.390191      4.667175
  H      -3.851200     -7.649405      4.565393
  H      -2.430986     -8.099820      3.579333
  H      -6.815983     -6.689065      2.791635
  H      -5.844230     -7.242659      4.161134
  H      -4.854286     -6.070078      1.506195
  H      -4.651829     -7.757075      2.058616
  H      -1.762138     -4.197408      0.936662
  H      -3.471169     -4.569262      0.732780
  H      -1.426734     -5.901784      2.588141
  H      -2.316201     -6.692652      1.256082
  C       0.187778     -2.487823      3.526056
  N      -1.237563     -2.561464      3.850547
  C      -2.269323     -2.366133      2.783730
  C      -1.687489     -1.727023      1.511514
  C      -2.730515     -1.430126      0.462716
  C      -3.866453     -0.662381      0.760568
  C      -4.824951     -0.391781     -0.215855
  C      -4.665895     -0.881305     -1.514974
  C      -3.538182     -1.642094     -1.827149
  C      -2.583642     -1.912585     -0.844447
  C      -7.405325     -6.546633      6.535905
  N      -6.722893     -5.310361      6.169310
  C      -6.911563     -4.748904      4.806675
  C      -8.311285     -5.022216      4.244205
  C      -9.456820     -4.308137      4.926505
  C     -10.730289     -4.347336      4.335562
  C     -11.817929     -3.700541      4.920229
  C     -11.652602     -2.994647      6.115689
  C     -10.392677     -2.947733      6.712958
  C      -9.303247     -3.597277      6.124658
  C      -3.538376     -6.029435      8.203733
  N      -3.204143     -4.671495      7.784085
  C      -2.257480     -4.562978      6.670426
  C      -0.830459     -4.939260      7.105383
  C      -0.270173     -3.972867      8.117172
  C       0.052243     -4.390044      9.413865
  C       0.568966     -3.492589     10.351492
  C       0.773326     -2.156782     10.002435
  C       0.458984     -1.728552      8.709483
  C      -0.057042     -2.628388      7.777143
  H       0.527265     -3.158682      2.709973
  H       0.750894     -2.758222      4.431211
  H       0.481571     -1.462400      3.260226
  H      -1.420357     -3.497777      4.223861
  H      -3.003610     -1.650848      3.188086
  H      -0.896447     -2.353689      1.076586
  H      -1.197554     -0.788557      1.818714
  H      -4.005133     -0.271887      1.770897
  H      -5.702677      0.204517      0.039454
  H      -5.416244     -0.669668     -2.278197
  H      -3.400512     -2.028918     -2.838446
  H      -1.705541     -2.513465     -1.093521
  H      -7.071605     -6.837627      7.542714
  H      -8.491178     -6.378882      6.591465
  H      -7.232603     -7.410720      5.863247
  H      -5.714820     -5.415906      6.317612
  H      -6.819511     -3.657049      4.915469
  H      -8.284338     -4.709626      3.187782
  H      -8.523372     -6.103917      4.228460
  H     -10.865370     -4.893159      3.398040
  H     -12.797761     -3.744823      4.441067
  H     -12.501124     -2.485897      6.576028
  H     -10.251997     -2.401303      7.647610
  H      -8.324218     -3.577804      6.608571
  H      -2.681129     -6.495729      8.710819
  H      -3.851398     -6.692978      7.371704
  H      -4.364542     -5.985162      8.926255
  H      -4.060941     -4.207477      7.474560
  H      -2.239629     -3.493127      6.423288
  H      -0.188704     -4.940353      6.209314
  H      -0.801395     -5.959805      7.513763
  H      -0.110038     -5.433653      9.693924
  H       0.810091     -3.838796     11.358124
  H       1.175785     -1.452398     10.732066
  H       0.618311     -0.686805      8.425069
  H      -0.300289     -2.281132      6.768796
  N      -4.452209     -2.918961      5.139324
  N      -4.899448     -1.942121      5.907210
  H      -4.623046     -1.960949      6.896976
  H      -4.857182     -0.998549      5.509985
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.898545872948
  N      -3.007506     -3.613731      2.585724
  C      -2.638597     -4.532747      1.497605
  C      -2.373538     -5.930909      2.062270
  N      -3.434098     -6.284053      3.045805
  C      -4.705762     -6.700840      2.392002
  C      -5.877683     -6.483323      3.343833
  N      -5.836427     -5.111083      3.864443
  Mo     -3.942927     -4.385445      4.163560
  N      -2.703004     -5.271354      5.441785
  C      -2.082570     -6.556881      5.090776
  C      -2.965253     -7.262111      4.064333
  H      -1.969728     -7.222315      5.964546
  H      -1.062585     -6.413079      4.681650
  H      -3.858819     -7.650964      4.570813
  H      -2.438905     -8.110070      3.588419
  H      -6.809092     -6.676820      2.779868
  H      -5.847419     -7.243856      4.150812
  H      -4.838011     -6.061124      1.509067
  H      -4.646171     -7.752057      2.054152
  H      -1.735622     -4.206331      0.960068
  H      -3.445381     -4.569631      0.742936
  H      -1.418184     -5.916536      2.605862
  H      -2.306982     -6.698819      1.268570
  C       0.212120     -2.495659      3.512282
  N      -1.209200     -2.570692      3.851159
  C      -2.252177     -2.373651      2.797767
  C      -1.689289     -1.723150      1.522380
  C      -2.748595     -1.430169      0.489304
  C      -3.878543     -0.659587      0.802669
  C      -4.854214     -0.394238     -0.158055
  C      -4.718604     -0.891847     -1.456855
  C      -3.596934     -1.655117     -1.784538
  C      -2.625088     -1.920361     -0.817376
  C      -7.417928     -6.561563      6.514814
  N      -6.731801     -5.322856      6.164327
  C      -6.904815     -4.750618      4.805145
  C      -8.302371     -5.011065      4.231131
  C      -9.447883     -4.291995      4.908310
  C     -10.716803     -4.317802      4.306813
  C     -11.804300     -3.666412      4.886785
  C     -11.643360     -2.969294      6.088047
  C     -10.387938     -2.935586      6.695686
  C      -9.298659     -3.589697      6.112078
  C      -3.529458     -6.075979      8.189096
  N      -3.194579     -4.710467      7.795226
  C      -2.256174     -4.578323      6.677102
  C      -0.820668     -4.938618      7.100902
  C      -0.266159     -3.961271      8.104816
  C       0.028954     -4.355429      9.415046
  C       0.534278     -3.442955     10.344395
  C       0.753800     -2.115365      9.973458
  C       0.465633     -1.709923      8.667069
  C      -0.038996     -2.624682      7.742933
  H       0.543278     -3.163342      2.690046
  H       0.785762     -2.768838      4.409934
  H       0.502358     -1.469107      3.246559
  H      -1.390922     -3.504488      4.231212
  H      -2.986211     -1.664371      3.213026
  H      -0.899310     -2.342264      1.074766
  H      -1.202584     -0.782646      1.828528
  H      -3.998737     -0.262912      1.813025
  H      -5.726896      0.204300      0.109179
  H      -5.482326     -0.684252     -2.207893
  H      -3.477426     -2.047891     -2.795901
  H      -1.751907     -2.523325     -1.078458
  H      -7.090713     -6.862675      7.520790
  H      -8.503976     -6.392753      6.565610
  H      -7.242716     -7.419731      5.835275
  H      -5.726043     -5.426038      6.325459
  H      -6.805861     -3.660311      4.922922
  H      -8.265581     -4.694645      3.176176
  H      -8.522264     -6.091169      4.209787
  H     -10.848402     -4.856702      3.364750
  H     -12.780537     -3.700174      4.399397
  H     -12.491795     -2.457034      6.544755
  H     -10.250701     -2.395926      7.634819
  H      -8.323346     -3.580285      6.603545
  H      -2.664125     -6.561097      8.663834
  H      -3.867572     -6.716648      7.349129
  H      -4.337682     -6.043620      8.932281
  H      -4.053697     -4.237335      7.506121
  H      -2.253896     -3.505932      6.441269
  H      -0.187211     -4.933401      6.199130
  H      -0.777057     -5.957858      7.511323
  H      -0.145769     -5.392223      9.712434
  H       0.754639     -3.770884     11.361890
  H       1.147663     -1.399636     10.696796
  H       0.636564     -0.674684      8.365947
  H      -0.264587     -2.295793      6.724232
  N      -4.438906     -2.922934      5.144239
  N      -4.892688     -1.948673      5.916214
  H      -4.581576     -1.951831      6.896352
  H      -4.873057     -1.008183      5.508958
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.899382544283
  N      -2.987529     -3.620722      2.598308
  C      -2.616800     -4.538500      1.512949
  C      -2.361563     -5.937808      2.077271
  N      -3.427200     -6.286878      3.055011
  C      -4.695566     -6.697143      2.394118
  C      -5.870464     -6.479066      3.339944
  N      -5.825354     -5.112075      3.867791
  Mo     -3.933245     -4.388298      4.171181
  N      -2.692683     -5.273963      5.442885
  C      -2.083477     -6.565471      5.101065
  C      -2.967007     -7.266296      4.074165
  H      -1.980043     -7.227159      5.978729
  H      -1.060215     -6.431985      4.696769
  H      -3.864080     -7.649761      4.578655
  H      -2.444379     -8.117708      3.600207
  H      -6.799968     -6.665455      2.770327
  H      -5.847676     -7.243981      4.142979
  H      -4.820333     -6.053273      1.513110
  H      -4.637790     -7.747378      2.052719
  H      -1.707854     -4.215301      0.983076
  H      -3.418002     -4.571019      0.752072
  H      -1.408182     -5.929711      2.624278
  H      -2.296165     -6.704812      1.282545
  C       0.236795     -2.501425      3.490489
  N      -1.179661     -2.576497      3.846588
  C      -2.235482     -2.379324      2.808238
  C      -1.694300     -1.717267      1.528982
  C      -2.771727     -1.430733      0.513376
  C      -3.895460     -0.657576      0.842799
  C      -4.890127     -0.400134     -0.100450
  C      -4.780062     -0.908317     -1.397682
  C      -3.664696     -1.673844     -1.741424
  C      -2.673701     -1.931163     -0.791573
  C      -7.427715     -6.573646      6.495695
  N      -6.739562     -5.332206      6.159762
  C      -6.897170     -4.751291      4.803363
  C      -8.292115     -5.000863      4.217949
  C      -9.438560     -4.276159      4.887755
  C     -10.702521     -4.291827      4.275402
  C     -11.790791     -3.635284      4.848257
  C     -11.635624     -2.943029      6.053147
  C     -10.385139     -2.919195      6.671424
  C      -9.295095     -3.578447      6.094930
  C      -3.521414     -6.114076      8.174817
  N      -3.181785     -4.742602      7.806595
  C      -2.252068     -4.589807      6.683778
  C      -0.809314     -4.937549      7.096811
  C      -0.260166     -3.954040      8.097166
  C       0.008266     -4.331702      9.417891
  C       0.503009     -3.409222     10.343087
  C       0.737754     -2.088275      9.957611
  C       0.474988     -1.699038      8.640899
  C      -0.018878     -2.623823      7.720780
  H       0.557553     -3.167440      2.662617
  H       0.822540     -2.776237      4.379787
  H       0.523422     -1.474315      3.222662
  H      -1.360241     -3.507044      4.235019
  H      -2.969084     -1.676657      3.235301
  H      -0.905487     -2.327799      1.067582
  H      -1.211824     -0.773903      1.833059
  H      -3.995498     -0.252850      1.852235
  H      -5.757539      0.200513      0.179104
  H      -5.558589     -0.706861     -2.135149
  H      -3.564992     -2.074492     -2.751905
  H      -1.805614     -2.536023     -1.065037
  H      -7.106791     -6.883067      7.501168
  H      -8.514160     -6.405089      6.541313
  H      -7.248709     -7.426539      5.810553
  H      -5.736092     -5.431647      6.333749
  H      -6.792232     -3.662389      4.928594
  H      -8.245324     -4.682966      3.163854
  H      -8.518881     -6.079525      4.193298
  H     -10.829571     -4.826831      3.330441
  H     -12.763065     -3.661139      4.352420
  H     -12.484684     -2.426789      6.504315
  H     -10.252389     -2.383200      7.613354
  H      -8.323907     -3.576428      6.594237
  H      -2.649262     -6.620544      8.613489
  H      -3.889187     -6.729701      7.328663
  H      -4.309058     -6.092085      8.940139
  H      -4.041643     -4.258069      7.539005
  H      -2.262654     -3.515315      6.458649
  H      -0.183474     -4.924114      6.189973
  H      -0.753296     -5.956811      7.505804
  H      -0.178893     -5.362955      9.726788
  H       0.703123     -3.723991     11.368939
  H       1.123645     -1.365080     10.677905
  H       0.657476     -0.668997      8.328742
  H      -0.227648     -2.308013      6.694302
  N      -4.425690     -2.923403      5.147084
  N      -4.886655     -1.951701      5.921645
  H      -4.547526     -1.939405      6.892721
  H      -4.890036     -1.014737      5.505235
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.900114623105
  N      -2.966930     -3.627435      2.610221
  C      -2.593364     -4.544554      1.528419
  C      -2.348273     -5.944640      2.093233
  N      -3.419339     -6.289052      3.064968
  C      -4.684069     -6.693626      2.396911
  C      -5.862081     -6.474922      3.336585
  N      -5.813535     -5.112960      3.871183
  Mo     -3.923325     -4.389917      4.178425
  N      -2.681929     -5.274648      5.444653
  C      -2.083905     -6.572111      5.112350
  C      -2.968044     -7.269193      4.085308
  H      -1.989674     -7.229768      5.993912
  H      -1.057449     -6.449084      4.712889
  H      -3.868627     -7.647083      4.587854
  H      -2.448974     -8.124243      3.613864
  H      -6.789530     -6.654690      2.761399
  H      -5.846482     -7.243777      4.135982
  H      -4.801600     -6.046245      1.517444
  H      -4.627654     -7.743066      2.052647
  H      -1.678030     -4.224736      1.006992
  H      -3.388184     -4.573176      0.760620
  H      -1.397144     -5.942614      2.644040
  H      -2.283746     -6.711131      1.297888
  C       0.262254     -2.507443      3.463497
  N      -1.148576     -2.580778      3.839053
  C      -2.218422     -2.384445      2.817074
  C      -1.700918     -1.710395      1.533884
  C      -2.797518     -1.431507      0.537210
  C      -3.914582     -0.655781      0.883227
  C      -4.929190     -0.407411     -0.041050
  C      -4.846055     -0.927380     -1.335729
  C      -3.737446     -1.695172     -1.696070
  C      -2.726361     -1.943416     -0.765019
  C      -7.437626     -6.584210      6.476067
  N      -6.748220     -5.339840      6.154478
  C      -6.889571     -4.751305      4.800530
  C      -8.281369     -4.990517      4.203164
  C      -9.429070     -4.260547      4.865220
  C     -10.687560     -4.266004      4.241370
  C     -11.776869     -3.604484      4.806655
  C     -11.628288     -2.917418      6.015404
  C     -10.383298     -2.903710      6.645071
  C      -9.292221     -3.567927      6.076129
  C      -3.514459     -6.147906      8.160870
  N      -3.168990     -4.771493      7.817649
  C      -2.247432     -4.599304      6.690956
  C      -0.798245     -4.936051      7.094247
  C      -0.253686     -3.947987      8.092142
  C      -0.011020     -4.311467      9.421763
  C       0.474873     -3.381073     10.343755
  C       0.725786     -2.066540      9.946280
  C       0.487801     -1.691251      8.620762
  C       0.003035     -2.624023      7.703699
  H       0.570769     -3.173551      2.630871
  H       0.861056     -2.782718      4.343938
  H       0.545570     -1.480471      3.191325
  H      -1.328160     -3.507310      4.237421
  H      -2.951236     -1.688882      3.256849
  H      -0.913550     -2.311386      1.057538
  H      -1.223338     -0.763818      1.835717
  H      -3.993282     -0.242071      1.890994
  H      -5.790960      0.195399      0.251199
  H      -5.640127     -0.732995     -2.058461
  H      -3.658640     -2.104607     -2.704941
  H      -1.863613     -2.550037     -1.051286
  H      -7.123656     -6.900989      7.481433
  H      -8.524609     -6.416707      6.515390
  H      -7.253457     -7.432114      5.786132
  H      -5.747250     -5.434720      6.341999
  H      -6.778954     -3.663795      4.932649
  H      -8.224328     -4.671203      3.150015
  H      -8.514550     -6.067766      4.175132
  H     -10.809401     -4.796844      3.293317
  H     -12.744755     -3.622307      4.301836
  H     -12.478189     -2.397350      6.460698
  H     -10.255701     -2.371799      7.590085
  H      -8.325697     -3.573812      6.584061
  H      -2.636511     -6.675166      8.561997
  H      -3.912517     -6.738079      7.310248
  H      -4.280466     -6.136509      8.948077
  H      -4.028722     -4.275500      7.571203
  H      -2.269519     -3.523009      6.475946
  H      -0.179546     -4.914570      6.182812
  H      -0.731319     -5.955614      7.501034
  H      -0.211214     -5.337409      9.740056
  H       0.655323     -3.684463     11.376718
  H       1.105071     -1.337489     10.664272
  H       0.682841     -0.666285      8.299431
  H      -0.188662     -2.319616      6.670388
  N      -4.413271     -2.922007      5.148973
  N      -4.881965     -1.952868      5.924673
  H      -4.521561     -1.926344      6.887971
  H      -4.906606     -1.019524      5.500484
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.900736909776
  N      -2.946512     -3.634869      2.622431
  C      -2.569511     -4.551506      1.544358
  C      -2.334692     -5.952228      2.109875
  N      -3.411336     -6.291795      3.075542
  C      -4.672263     -6.691364      2.400322
  C      -5.853528     -6.472131      3.333791
  N      -5.801812     -5.115079      3.875087
  Mo     -3.913903     -4.391964      4.186026
  N      -2.671660     -5.275527      5.447829
  C      -2.084404     -6.578596      5.124656
  C      -2.968874     -7.272311      4.097378
  H      -1.999046     -7.232394      6.009803
  H      -1.054883     -6.465692      4.730085
  H      -3.872894     -7.644750      4.597916
  H      -2.453072     -8.130939      3.628704
  H      -6.778793     -6.645467      2.753050
  H      -5.844953     -7.244748      4.129604
  H      -4.782890     -6.040932      1.522152
  H      -4.616808     -7.740121      2.053627
  H      -1.647704     -4.234959      1.031806
  H      -3.357527     -4.576418      0.769327
  H      -1.385988     -5.956214      2.664671
  H      -2.270879     -6.718309      1.314026
  C       0.287807     -2.516124      3.433182
  N      -1.116640     -2.585433      3.830285
  C      -2.201401     -2.390295      2.825870
  C      -1.708780     -1.703438      1.539365
  C      -2.824926     -1.431449      0.563002
  C      -3.934673     -0.653243      0.926792
  C      -4.969391     -0.412973      0.022847
  C      -4.913952     -0.943667     -1.269073
  C      -3.812717     -1.713613     -1.647194
  C      -2.781378     -1.953784     -0.736295
  C      -7.448616     -6.595242      6.455796
  N      -6.758576     -5.347698      6.148803
  C      -6.882848     -4.752078      4.797144
  C      -8.270994     -4.980939      4.187044
  C      -9.420284     -4.245058      4.839990
  C     -10.672457     -4.240163      4.203373
  C     -11.763062     -3.572890      4.759516
  C     -11.622194     -2.890285      5.971772
  C     -10.383563     -2.886810      6.614089
  C      -9.291205     -3.556806      6.054284
  C      -3.504729     -6.180237      8.150922
  N      -3.156541     -4.799363      7.829359
  C      -2.243054     -4.608509      6.699201
  C      -0.787615     -4.934177      7.093053
  C      -0.246430     -3.941214      8.087441
  C      -0.027249     -4.290438      9.424936
  C       0.452023     -3.352437     10.342709
  C       0.719146     -2.044667      9.933211
  C       0.503899     -1.683440      8.599858
  C       0.026035     -2.623911      7.686857
  H       0.582113     -3.184227      2.596847
  H       0.900371     -2.790870      4.304316
  H       0.568427     -1.490108      3.154406
  H      -1.295608     -3.507213      4.239717
  H      -2.932805     -1.702242      3.279489
  H      -0.923496     -2.294108      1.046694
  H      -1.236095     -0.753939      1.839739
  H      -3.991297     -0.231354      1.932739
  H      -5.825015      0.191960      0.328657
  H      -5.723687     -0.755601     -1.976024
  H      -3.755418     -2.130957     -2.654349
  H      -1.924293     -2.561817     -1.036381
  H      -7.142474     -6.918765      7.461413
  H      -8.536244     -6.429491      6.487543
  H      -7.257865     -7.438242      5.761668
  H      -5.760324     -5.437568      6.350387
  H      -6.766677     -3.665995      4.935879
  H      -8.202937     -4.660786      3.134811
  H      -8.510674     -6.056718      4.155927
  H     -10.788182     -4.767343      3.252448
  H     -12.725874     -3.582610      4.244735
  H     -12.473121     -2.365718      6.409937
  H     -10.261979     -2.358414      7.561932
  H      -8.330091     -3.570716      6.571871
  H      -2.620881     -6.723325      8.516632
  H      -3.929491     -6.748545      7.298221
  H      -4.249680     -6.180399      8.958166
  H      -4.016690     -4.294753      7.602409
  H      -2.276502     -3.530731      6.493546
  H      -0.176288     -4.905805      6.176966
  H      -0.710106     -5.953682      7.498333
  H      -0.240363     -5.310843      9.752531
  H       0.614555     -3.644401     11.381988
  H       1.093556     -1.309968     10.648106
  H       0.711720     -0.663885      8.269259
  H      -0.149355     -2.331066      6.647237
  N      -4.402481     -2.921057      5.151332
  N      -4.879274     -1.954615      5.926954
  H      -4.505376     -1.916806      6.884828
  H      -4.921633     -1.024340      5.497160
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.901267042001
  N      -2.926225     -3.644093      2.634364
  C      -2.546013     -4.560433      1.559758
  C      -2.321575     -5.961750      2.126046
  N      -3.403712     -6.296166      3.085991
  C      -4.660970     -6.691305      2.404011
  C      -5.845449     -6.471182      3.331441
  N      -5.790540     -5.118676      3.879006
  Mo     -3.904965     -4.395347      4.193448
  N      -2.662364     -5.277902      5.452125
  C      -2.084965     -6.585985      5.137199
  C      -2.969694     -7.276712      4.109611
  H      -2.007828     -7.236424      6.025367
  H      -1.052636     -6.482383      4.747323
  H      -3.877000     -7.643839      4.608211
  H      -2.456923     -8.138829      3.643863
  H      -6.768527     -6.638262      2.745367
  H      -5.843760     -7.247193      4.123922
  H      -4.765100     -6.038447      1.526775
  H      -4.606362     -7.739561      2.055498
  H      -1.617980     -4.247226      1.055831
  H      -3.327377     -4.581626      0.777771
  H      -1.375293     -5.971773      2.684729
  H      -2.258663     -6.727546      1.329814
  C       0.313846     -2.530300      3.399778
  N      -1.083490     -2.592561      3.820224
  C      -2.183694     -2.398347      2.834261
  C      -1.716533     -1.698163      1.545279
  C      -2.852308     -1.430465      0.590843
  C      -3.953477     -0.649549      0.974451
  C      -5.008214     -0.414613      0.092461
  C      -4.981627     -0.953498     -1.197076
  C      -3.889010     -1.725815     -1.595009
  C      -2.837482     -1.960669     -0.705897
  C      -7.461199     -6.606134      6.434912
  N      -6.770637     -5.355543      6.142432
  C      -6.877112     -4.753558      4.792861
  C      -8.261197     -4.971912      4.169539
  C      -9.411964     -4.229553      4.812700
  C     -10.657168     -4.213563      4.162576
  C     -11.748896     -3.539863      4.708848
  C     -11.616219     -2.861760      5.924606
  C     -10.384605     -2.869290      6.580329
  C      -9.291152     -3.545770      6.030399
  C      -3.489363     -6.213386      8.146606
  N      -3.144735     -4.827939      7.841568
  C      -2.239659     -4.618162      6.708077
  C      -0.777616     -4.930493      7.092398
  C      -0.239966     -3.931519      8.082240
  C      -0.040827     -4.266350      9.426571
  C       0.432468     -3.320365     10.339254
  C       0.713062     -2.019072      9.917890
  C       0.517284     -1.672075      8.577728
  C       0.045653     -2.620606      7.669658
  H       0.591799     -3.202550      2.561047
  H       0.940544     -2.803743      4.261262
  H       0.592863     -1.506272      3.112039
  H      -1.262524     -3.508846      4.241698
  H      -2.912656     -1.717735      3.302690
  H      -0.934762     -2.278483      1.034768
  H      -1.247539     -0.746697      1.845227
  H      -3.987016     -0.221464      1.978897
  H      -5.856711      0.192617      0.413380
  H      -5.806951     -0.769620     -1.886979
  H      -3.854147     -2.149081     -2.600784
  H      -1.986936     -2.570068     -1.021531
  H      -7.163892     -6.935666      7.441209
  H      -8.549460     -6.442351      6.457772
  H      -7.262827     -7.444564      5.737421
  H      -5.775384     -5.440476      6.358378
  H      -6.755353     -3.668939      4.937834
  H      -8.181668     -4.651215      3.118282
  H      -8.507590     -6.046118      4.135374
  H     -10.766363     -4.737008      3.208766
  H     -12.706112     -3.540898      4.183537
  H     -12.468022     -2.332131      6.355057
  H     -10.269411     -2.344479      7.531018
  H      -8.335986     -3.568389      6.558264
  H      -2.598347     -6.764644      8.481679
  H      -3.934882     -6.766244      7.294265
  H      -4.214956     -6.226132      8.971203
  H      -4.007079     -4.319651      7.631795
  H      -2.285934     -3.539274      6.511050
  H      -0.174025     -4.895493      6.171542
  H      -0.688072     -5.949440      7.496825
  H      -0.264520     -5.281512      9.763267
  H       0.579804     -3.600841     11.384007
  H       1.083063     -1.278396     10.628994
  H       0.735803     -0.657734      8.237957
  H      -0.115471     -2.339413      6.624446
  N      -4.392938     -2.921498      5.153798
  N      -4.877404     -1.957280      5.927974
  H      -4.496418     -1.911013      6.882678
  H      -4.932596     -1.029470      5.494186
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.901735929731
  N      -2.906753     -3.654757      2.646643
  C      -2.523057     -4.570961      1.575342
  C      -2.308868     -5.972792      2.142607
  N      -3.396581     -6.301957      3.096950
  C      -4.650124     -6.693412      2.408375
  C      -5.837952     -6.472242      3.329721
  N      -5.780316     -5.123789      3.882966
  Mo     -3.897145     -4.399908      4.201188
  N      -2.654858     -5.281359      5.458475
  C      -2.086212     -6.593854      5.150901
  C      -2.970814     -7.282171      4.122829
  H      -2.016461     -7.241395      6.041588
  H      -1.051384     -6.498475      4.765401
  H      -3.881354     -7.644198      4.619337
  H      -2.460638     -8.147648      3.660319
  H      -6.758704     -6.633533      2.738376
  H      -5.842984     -7.251244      4.119169
  H      -4.748083     -6.038778      1.531673
  H      -4.596008     -7.741344      2.058671
  H      -1.588984     -4.261024      1.079981
  H      -3.297771     -4.588613      0.786531
  H      -1.365144     -5.988564      2.705331
  H      -2.246651     -6.738500      1.346211
  C       0.338878     -2.549465      3.365436
  N      -1.050698     -2.601772      3.810406
  C      -2.166255     -2.408151      2.843195
  C      -1.724386     -1.694389      1.552751
  C      -2.879530     -1.427857      0.621652
  C      -3.970640     -0.643860      1.027089
  C      -5.045071     -0.411095      0.168566
  C      -5.048524     -0.955376     -1.119050
  C      -3.966036     -1.730474     -1.538781
  C      -2.894604     -1.963142     -0.672987
  C      -7.475682     -6.616781      6.414033
  N      -6.784852     -5.363274      6.135489
  C      -6.873088     -4.756075      4.787592
  C      -8.252464     -4.964663      4.150308
  C      -9.405256     -4.215460      4.782027
  C     -10.642625     -4.189211      4.117282
  C     -11.735958     -3.508749      4.651983
  C     -11.612839     -2.833901      5.870596
  C     -10.389104     -2.851541      6.540796
  C      -9.294080     -3.534879      6.002455
  C      -3.470102     -6.243187      8.149521
  N      -3.131784     -4.853805      7.855714
  C      -2.236342     -4.627436      6.717832
  C      -0.767791     -4.926463      7.091725
  C      -0.231884     -3.920657      8.075189
  C      -0.049024     -4.240591      9.425528
  C       0.420409     -3.286339     10.331583
  C       0.712977     -1.991727      9.897607
  C       0.533096     -1.659513      8.551452
  C       0.065495     -2.616348      7.649861
  H       0.598591     -3.227841      2.525663
  H       0.979790     -2.821027      4.217044
  H       0.617371     -1.528447      3.066623
  H      -1.230348     -3.511947      4.244483
  H      -2.891980     -1.734829      3.326838
  H      -0.947779     -2.264811      1.023296
  H      -1.257372     -0.742104      1.853235
  H      -3.980122     -0.211764      2.030403
  H      -5.885281      0.198712      0.506123
  H      -5.889189     -0.773238     -1.790725
  H      -3.954573     -2.157546     -2.543543
  H      -2.051763     -2.574152     -1.005824
  H      -7.188228     -6.951148      7.421580
  H      -8.564550     -6.455291      6.426591
  H      -7.268545     -7.451238      5.714375
  H      -5.792828     -5.443359      6.366064
  H      -6.746267     -3.672838      4.938139
  H      -8.160815     -4.644264      3.099949
  H      -8.505284     -6.037326      4.113626
  H     -10.744202     -4.709867      3.161059
  H     -12.686876     -3.501796      4.115306
  H     -12.465879     -2.298901      6.291983
  H     -10.281349     -2.329289      7.493813
  H      -8.345509     -3.565418      6.541374
  H      -2.571481     -6.798282      8.457080
  H      -3.934050     -6.785320      7.300123
  H      -4.176684     -6.267235      8.990236
  H      -3.997074     -4.344261      7.661921
  H      -2.295166     -3.547898      6.527964
  H      -0.172694     -4.886714      6.165654
  H      -0.666198     -5.944236      7.496491
  H      -0.281938     -5.250414      9.771870
  H       0.555458     -3.554966     11.381153
  H       1.080193     -1.244816     10.603699
  H       0.761135     -0.650552      8.201923
  H      -0.083828     -2.347152      6.599672
  N      -4.385624     -2.923417      5.156607
  N      -4.877466     -1.960737      5.927911
  H      -4.495399     -1.908524      6.881826
  H      -4.941424     -1.034807      5.491234
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.902176329936
  N      -2.887175     -3.667020      2.658240
  C      -2.499822     -4.583403      1.590295
  C      -2.296066     -5.985622      2.158920
  N      -3.389424     -6.309092      3.107869
  C      -4.639307     -6.697424      2.412976
  C      -5.830534     -6.474679      3.328190
  N      -5.770369     -5.129738      3.886346
  Mo     -3.889458     -4.405319      4.208419
  N      -2.648264     -5.285455      5.465937
  C      -2.087502     -6.601979      5.165235
  C      -2.971771     -7.288467      4.136627
  H      -2.024569     -7.246854      6.058182
  H      -1.050414     -6.514083      4.783841
  H      -3.885533     -7.645345      4.630991
  H      -2.463958     -8.157363      3.677790
  H      -6.748873     -6.630564      2.731684
  H      -5.842281     -7.256199      4.114994
  H      -4.731271     -6.041716      1.536341
  H      -4.585579     -7.745258      2.062792
  H      -1.559697     -4.276918      1.103693
  H      -3.267730     -4.597555      0.794635
  H      -1.355005     -6.006933      2.725783
  H      -2.234521     -6.751578      1.362700
  C       0.363793     -2.574261      3.327770
  N      -1.017058     -2.613431      3.799033
  C      -2.148080     -2.419923      2.851255
  C      -1.731622     -1.692690      1.560016
  C      -2.906368     -1.424292      0.654387
  C      -3.984986     -0.635861      1.083853
  C      -5.079406     -0.402417      0.251131
  C      -5.115691     -0.950607     -1.034384
  C      -4.045817     -1.729905     -1.478080
  C      -2.954130     -1.963179     -0.637959
  C      -7.491171     -6.625996      6.393113
  N      -6.800158     -5.369857      6.127602
  C      -6.869750     -4.758749      4.780953
  C      -8.243883     -4.958271      4.129353
  C      -9.398884     -4.202532      4.749226
  C     -10.627841     -4.166019      4.069397
  C     -11.722952     -3.479180      4.592276
  C     -11.610143     -2.808030      5.813966
  C     -10.394867     -2.835860      6.499131
  C      -9.298094     -3.525679      5.972631
  C      -3.449228     -6.269644      8.156034
  N      -3.118197     -4.876892      7.870300
  C      -2.232882     -4.635792      6.727673
  C      -0.758189     -4.921465      7.091269
  C      -0.223829     -3.908326      8.067684
  C      -0.055429     -4.213266      9.423461
  C       0.410428     -3.250584     10.322416
  C       0.713475     -1.962551      9.875910
  C       0.547662     -1.645221      8.524349
  C       0.083730     -2.610496      7.629725
  H       0.602776     -3.260636      2.488166
  H       1.019414     -2.843686      4.168823
  H       0.642804     -1.557348      3.015732
  H      -1.197766     -3.516779      4.246498
  H      -2.869563     -1.753528      3.350479
  H      -0.962417     -2.254210      1.010424
  H      -1.264316     -0.740777      1.861287
  H      -3.968220     -0.200912      2.085897
  H      -5.909413      0.211013      0.606998
  H      -5.971942     -0.768007     -1.686010
  H      -4.059963     -2.159704     -2.481691
  H      -2.120966     -2.576914     -0.989721
  H      -7.214409     -6.963945      7.402450
  H      -8.580551     -6.466934      6.394202
  H      -7.274474     -7.457235      5.692577
  H      -5.811670     -5.445264      6.373050
  H      -6.738271     -3.676794      4.936342
  H      -8.139975     -4.638313      3.080002
  H      -8.502734     -6.029433      4.090067
  H     -10.721185     -4.683571      3.110611
  H     -12.667117     -3.464206      4.043886
  H     -12.464567     -2.267979      6.226114
  H     -10.295180     -2.316583      7.454691
  H      -8.356551     -3.564357      6.523024
  H      -2.543106     -6.826575      8.437406
  H      -3.930886     -6.803490      7.311304
  H      -4.136590     -6.303864      9.012253
  H      -3.986574     -4.367170      7.691557
  H      -2.303994     -3.555979      6.543792
  H      -0.171425     -4.878166      6.160155
  H      -0.644711     -5.937635      7.497130
  H      -0.296413     -5.217835      9.779383
  H       0.534590     -3.507319     11.376345
  H       1.078063     -1.209233     10.576611
  H       0.783909     -0.641521      8.165147
  H      -0.055286     -2.353248      6.575078
  N      -4.379131     -2.926179      5.158709
  N      -4.877906     -1.964192      5.925859
  H      -4.498995     -1.908078      6.880731
  H      -4.946431     -1.039637      5.486940
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.902604895813
  N      -2.867824     -3.680138      2.669569
  C      -2.476414     -4.596968      1.605168
  C      -2.282908     -5.999363      2.175548
  N      -3.381952     -6.316914      3.119155
  C      -4.628061     -6.702750      2.418025
  C      -5.822841     -6.478254      3.326906
  N      -5.760644     -5.136404      3.889397
  Mo     -3.882019     -4.411095      4.215535
  N      -2.642538     -5.289566      5.474745
  C      -2.088916     -6.609781      5.180608
  C      -2.972412     -7.294980      4.151354
  H      -2.032335     -7.252106      6.075641
  H      -1.049744     -6.528692      4.803173
  H      -3.889439     -7.646760      4.643365
  H      -2.466614     -8.167287      3.696631
  H      -6.738580     -6.629161      2.725181
  H      -5.841291     -7.261981      4.111305
  H      -4.714157     -6.046535      1.541075
  H      -4.574424     -7.750658      2.067920
  H      -1.530277     -4.293904      1.127593
  H      -3.237304     -4.607884      0.802580
  H      -1.344631     -6.025804      2.746687
  H      -2.221817     -6.765874      1.379824
  C       0.387783     -2.603147      3.287367
  N      -0.983211     -2.626378      3.786604
  C      -2.129721     -2.432794      2.858833
  C      -1.738696     -1.692299      1.567364
  C      -2.933242     -1.419273      0.689476
  C      -3.996296     -0.624202      1.144649
  C      -5.111027     -0.387538      0.340259
  C      -5.183602     -0.939311     -0.942247
  C      -4.129445     -1.725046     -1.411567
  C      -3.017111     -1.961397     -0.599683
  C      -7.507133     -6.634341      6.372293
  N      -6.816408     -5.375583      6.118959
  C      -6.867117     -4.761816      4.773165
  C      -8.235376     -4.953413      4.106729
  C      -9.393326     -4.191667      4.713708
  C     -10.613092     -4.145904      4.017927
  C     -11.710735     -3.453446      4.528020
  C     -11.609795     -2.785730      5.752664
  C     -10.403752     -2.822697      6.453625
  C      -9.304467     -3.518254      5.939940
  C      -3.429389     -6.289983      8.166686
  N      -3.104094     -4.895004      7.885632
  C      -2.228814     -4.642869      6.737843
  C      -0.748881     -4.917469      7.091720
  C      -0.214421     -3.896574      8.059653
  C      -0.060637     -4.185040      9.420871
  C       0.403270     -3.213655     10.311435
  C       0.718678     -1.933382      9.851050
  C       0.567109     -1.632422      8.494066
  C       0.105137     -2.606391      7.607724
  H       0.603819     -3.299118      2.449228
  H       1.058693     -2.870138      4.117075
  H       0.667919     -1.591377      2.960048
  H      -1.165171     -3.522226      4.248233
  H      -2.846097     -1.773049      3.373873
  H      -0.979272     -2.246163      0.996657
  H      -1.268712     -0.741902      1.869312
  H      -3.950575     -0.186638      2.144702
  H      -5.928423      0.231220      0.715694
  H      -6.055707     -0.754278     -1.571863
  H      -4.171910     -2.157364     -2.413345
  H      -2.196080     -2.579621     -0.971650
  H      -7.241738     -6.974619      7.383901
  H      -8.596951     -6.478186      6.360828
  H      -7.279886     -7.463002      5.672113
  H      -5.831729     -5.446226      6.379593
  H      -6.731704     -3.680982      4.932663
  H      -8.118923     -4.634287      3.058439
  H      -8.499528     -6.023223      4.064963
  H     -10.696984     -4.660597      3.056686
  H     -12.647523     -3.431274      3.967274
  H     -12.466203     -2.241227      6.154833
  H     -10.313362     -2.306173      7.411643
  H      -8.370549     -3.564306      6.502449
  H      -2.516934     -6.848692      8.423244
  H      -3.929095     -6.817179      7.328351
  H      -4.097381     -6.331741      9.037873
  H      -3.974823     -4.384688      7.720734
  H      -2.310091     -3.563067      6.558294
  H      -0.170013     -4.873552      6.155793
  H      -0.625644     -5.931512      7.500295
  H      -0.311322     -5.183378      9.787420
  H       0.516328     -3.457349     11.369751
  H       1.081889     -1.173418     10.545340
  H       0.812953     -0.634894      8.124152
  H      -0.023400     -2.362183      6.548603
  N      -4.373808     -2.929349      5.160346
  N      -4.879521     -1.967440      5.922198
  H      -4.507260     -1.908718      6.879447
  H      -4.950166     -1.043964      5.481331
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.903029259154
  N      -2.848032     -3.694300      2.679862
  C      -2.452179     -4.612080      1.619398
  C      -2.268663     -6.014296      2.192209
  N      -3.373379     -6.325532      3.130581
  C      -4.615609     -6.709631      2.423370
  C      -5.814090     -6.483160      3.325723
  N      -5.750385     -5.143931      3.891835
  Mo     -3.874152     -4.417142      4.221888
  N      -2.636897     -5.293335      5.484171
  C      -2.089624     -6.616951      5.196696
  C      -2.971918     -7.301595      4.166889
  H      -2.039009     -7.256629      6.093802
  H      -1.048495     -6.542108      4.823141
  H      -3.892238     -7.648222      4.656436
  H      -2.467823     -8.177398      3.716868
  H      -6.727058     -6.629625      2.718768
  H      -5.839167     -7.268732      4.108020
  H      -4.696000     -6.053566      1.545656
  H      -4.561733     -7.757822      2.074007
  H      -1.500084     -4.312529      1.151021
  H      -3.205845     -4.620284      0.809816
  H      -1.333252     -6.045331      2.767708
  H      -2.207837     -6.781827      1.397449
  C       0.411284     -2.635425      3.242314
  N      -0.948342     -2.640138      3.771585
  C      -2.110722     -2.446787      2.864737
  C      -1.745910     -1.693240      1.573300
  C      -2.960884     -1.413046      0.726263
  C      -4.004442     -0.608444      1.208907
  C      -5.140214     -0.366219      0.436255
  C      -5.253793     -0.922150     -0.841534
  C      -4.219298     -1.717196     -1.338233
  C      -3.085510     -1.958877     -0.558034
  C      -7.522722     -6.641978      6.351129
  N      -6.832824     -5.380531      6.109264
  C      -6.864308     -4.765274      4.764009
  C      -8.226185     -4.949720      4.082456
  C      -9.387412     -4.182581      4.676266
  C     -10.597269     -4.127411      3.963917
  C     -11.697814     -3.430107      4.461073
  C     -11.609845     -2.766798      5.689149
  C     -10.413756     -2.813094      6.406528
  C      -9.311581     -3.513620      5.905816
  C      -3.412750     -6.304555      8.179441
  N      -3.091286     -4.908406      7.900325
  C      -2.224509     -4.648465      6.748028
  C      -0.740491     -4.914518      7.094208
  C      -0.204987     -3.885509      8.052629
  C      -0.068748     -4.155298      9.419649
  C       0.394266     -3.174934     10.300790
  C       0.726115     -1.904330      9.825084
  C       0.591722     -1.621938      8.462299
  C       0.130574     -2.604860      7.585296
  H       0.602289     -3.342540      2.407217
  H       1.098431     -2.899285      4.059638
  H       0.692521     -1.629874      2.897345
  H      -1.131385     -3.527590      4.248715
  H      -2.821080     -1.793521      3.395968
  H      -0.999059     -2.240749      0.980185
  H      -1.270718     -0.745448      1.875303
  H      -3.926054     -0.167784      2.205621
  H      -5.941908      0.260105      0.832565
  H      -6.142337     -0.732885     -1.446506
  H      -4.293776     -2.152488     -2.336898
  H      -2.279753     -2.583864     -0.951556
  H      -7.269395     -6.983445      7.365435
  H      -8.612875     -6.489285      6.326029
  H      -7.283907     -7.468612      5.652482
  H      -5.852307     -5.446131      6.385547
  H      -6.725443     -3.685426      4.926956
  H      -8.097141     -4.631398      3.035393
  H      -8.495098     -6.018272      4.037971
  H     -10.670843     -4.638513      2.999867
  H     -12.626657     -3.400602      3.887504
  H     -12.468546     -2.218483      6.081250
  H     -10.333566     -2.300137      7.367413
  H      -8.385875     -3.567390      6.480986
  H      -2.495561     -6.865237      8.414113
  H      -3.929476     -6.826628      7.348310
  H      -4.062692     -6.351155      9.064079
  H      -3.963513     -4.397076      7.747092
  H      -2.313647     -3.568830      6.571280
  H      -0.168152     -4.873043      6.154247
  H      -0.610310     -5.925947      7.507326
  H      -0.332517     -5.145844      9.797924
  H       0.493856     -3.403872     11.363798
  H       1.088775     -1.137494     10.512152
  H       0.850285     -0.632064      8.080560
  H       0.014848     -2.375348      6.521380
  N      -4.369111     -2.932520      5.160408
  N      -4.881896     -1.969801      5.915421
  H      -4.518054     -1.908164      6.875600
  H      -4.953078     -1.047649      5.471924
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.903447307147
  N      -2.828444     -3.708284      2.688910
  C      -2.427919     -4.627367      1.632546
  C      -2.253254     -6.028999      2.208237
  N      -3.363179     -6.333997      3.141800
  C      -4.601521     -6.717518      2.428964
  C      -5.803750     -6.489434      3.324871
  N      -5.739353     -5.152447      3.894148
  Mo     -3.865897     -4.422822      4.227396
  N      -2.630821     -5.295885      5.493828
  C      -2.088619     -6.622329      5.212795
  C      -2.969151     -7.307333      4.182624
  H      -2.043209     -7.259424      6.111834
  H      -1.045733     -6.552709      4.842900
  H      -3.892558     -7.649203      4.669736
  H      -2.466188     -8.186450      3.737659
  H      -6.713878     -6.632161      2.712848
  H      -5.834933     -7.276669      4.105203
  H      -4.676852     -6.062177      1.550140
  H      -4.546755     -7.766136      2.080871
  H      -1.470399     -4.330955      1.172844
  H      -3.174672     -4.633796      0.816381
  H      -1.320541     -6.063816      2.787802
  H      -2.192540     -6.797902      1.414800
  C       0.433103     -2.668127      3.191078
  N      -0.913109     -2.652305      3.753052
  C      -2.092185     -2.460344      2.868580
  C      -1.754600     -1.694054      1.577323
  C      -2.990170     -1.405974      0.763369
  C      -4.011386     -0.589795      1.273594
  C      -5.168391     -0.341505      0.535149
  C      -5.325994     -0.903174     -0.735500
  C      -4.313982     -1.709501     -1.259698
  C      -3.158500     -1.956927     -0.513717
  C      -7.536727     -6.650121      6.329867
  N      -6.848659     -5.385571      6.099114
  C      -6.860931     -4.769565      4.754241
  C      -8.216125     -4.947261      4.057594
  C      -9.380606     -4.174863      4.638119
  C     -10.579773     -4.109399      3.908610
  C     -11.683223     -3.407431      4.392692
  C     -11.609018     -2.749588      5.624657
  C     -10.423656     -2.806075      6.359031
  C      -9.318587     -3.511398      5.871445
  C      -3.400977     -6.312925      8.193456
  N      -3.081103     -4.916670      7.913720
  C      -2.220077     -4.652202      6.758327
  C      -0.733451     -4.913315      7.099891
  C      -0.195721     -3.876595      8.048427
  C      -0.081821     -4.125582      9.421560
  C       0.381877     -3.136718     10.292796
  C       0.736659     -1.878374      9.800947
  C       0.624253     -1.616665      8.432048
  C       0.162286     -2.608050      7.564890
  H       0.597283     -3.387768      2.360828
  H       1.138027     -2.927544      3.994558
  H       0.714353     -1.669819      2.825799
  H      -1.096393     -3.530261      4.247356
  H      -2.795643     -1.813782      3.416743
  H      -1.022345     -2.236098      0.961281
  H      -1.272765     -0.749352      1.878421
  H      -3.897916     -0.144780      2.265049
  H      -5.952166      0.293967      0.952343
  H      -6.231136     -0.709333     -1.313933
  H      -4.422873     -2.148960     -2.253422
  H      -2.370272     -2.590260     -0.928852
  H      -7.296034     -6.991898      7.347151
  H      -8.627128     -6.501812      6.290168
  H      -7.285121     -7.474949      5.633679
  H      -5.872584     -5.445526      6.391361
  H      -6.719033     -3.690610      4.920239
  H      -8.074549     -4.629785      3.011892
  H      -8.489616     -6.014577      4.010243
  H     -10.642403     -4.616045      2.941381
  H     -12.603505     -3.369902      3.805840
  H     -12.470015     -2.197601      6.006598
  H     -10.354295     -2.297509      7.323145
  H      -8.401733     -3.573660      6.459755
  H      -2.480914     -6.875845      8.411111
  H      -3.932228     -6.831641      7.369449
  H      -4.035845     -6.361352      9.089064
  H      -3.953906     -4.403902      7.768927
  H      -2.314086     -3.572723      6.583067
  H      -0.165548     -4.877452      6.157102
  H      -0.600226     -5.921885      7.519217
  H      -0.363849     -5.106259      9.812145
  H       0.464221     -3.349268     11.360735
  H       1.100053     -1.105052     10.480414
  H       0.900582     -0.636469      8.037846
  H       0.063290     -2.394812      6.495903
  N      -4.365735     -2.935409      5.158867
  N      -4.886182     -1.971194      5.905363
  H      -4.533110     -1.906013      6.869179
  H      -4.957733     -1.050733      5.458466
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.903859431834
  N      -2.810155     -3.720057      2.696970
  C      -2.405734     -4.640206      1.643787
  C      -2.237751     -6.041134      2.221872
  N      -3.351779     -6.340730      3.151651
  C      -4.586641     -6.724792      2.434113
  C      -5.792326     -6.496187      3.324451
  N      -5.727950     -5.161246      3.897080
  Mo     -3.857601     -4.427247      4.232253
  N      -2.624147     -5.296800      5.503140
  C      -2.085207     -6.625151      5.227186
  C      -2.963711     -7.311151      4.196712
  H      -2.043666     -7.260397      6.127585
  H      -1.040930     -6.559098      4.860317
  H      -3.889668     -7.649187      4.681695
  H      -2.461252     -8.193007      3.756455
  H      -6.699862     -6.635768      2.707954
  H      -5.828491     -7.285290      4.102603
  H      -4.658201     -6.070280      1.554242
  H      -4.530285     -7.773771      2.087223
  H      -1.444198     -4.345923      1.190837
  H      -3.147065     -4.645687      0.822510
  H      -1.307107     -6.078933      2.804500
  H      -2.177336     -6.811303      1.429658
  C       0.451905     -2.698179      3.134208
  N      -0.878502     -2.660466      3.731461
  C      -2.075229     -2.471376      2.871030
  C      -1.765485     -1.692997      1.580035
  C      -3.020676     -1.399702      0.798596
  C      -4.019983     -0.571977      1.333108
  C      -5.197143     -0.320675      0.628280
  C      -5.397167     -0.891238     -0.632437
  C      -4.407165     -1.708787     -1.180831
  C      -3.231080     -1.958808     -0.468567
  C      -7.548721     -6.659469      6.308743
  N      -6.863516     -5.391317      6.089376
  C      -6.857042     -4.774324      4.745176
  C      -8.205635     -4.944618      4.033903
  C      -9.372620     -4.166613      4.601895
  C     -10.560319     -4.088276      3.854945
  C     -11.665928     -3.381150      4.326525
  C     -11.605514     -2.730828      5.563262
  C     -10.431653     -2.800058      6.314914
  C      -9.324445     -3.510685      5.839899
  C      -3.391368     -6.318572      8.206603
  N      -3.073580     -4.922346      7.925220
  C      -2.215716     -4.654232      6.768550
  C      -0.727531     -4.912571      7.108187
  C      -0.187472     -3.869614      8.048277
  C      -0.099320     -4.098182      9.427001
  C       0.365911     -3.102546     10.289653
  C       0.747970     -1.857770      9.783555
  C       0.660979     -1.616338      8.409108
  C       0.197342     -2.614474      7.550486
  H       0.588071     -3.431448      2.310822
  H       1.176286     -2.951457      3.922173
  H       0.731225     -1.708042      2.746069
  H      -1.060619     -3.527867      4.244586
  H      -2.770800     -1.831981      3.437127
  H      -1.047854     -2.229810      0.942393
  H      -1.277770     -0.750733      1.879115
  H      -3.872646     -0.120154      2.317091
  H      -5.963384      0.323950      1.063722
  H      -6.318081     -0.695303     -1.184763
  H      -4.549328     -2.154871     -2.167425
  H      -2.460061     -2.600614     -0.902584
  H      -7.320922     -7.001421      7.328935
  H      -8.639229     -6.516335      6.253977
  H      -7.283454     -7.482216      5.615308
  H      -5.892044     -5.445253      6.397326
  H      -6.712126     -3.696340      4.914515
  H      -8.051777     -4.627553      2.989817
  H      -8.484143     -6.010531      3.983109
  H     -10.611958     -4.588761      2.883818
  H     -12.577025     -3.333571      3.726142
  H     -12.468198     -2.174762      5.935495
  H     -10.373127     -2.297472      7.282927
  H      -8.417086     -3.583419      6.441567
  H      -2.469109     -6.882259      8.412799
  H      -3.932546     -6.836135      7.388365
  H      -4.015209     -6.367878      9.110065
  H      -3.946992     -4.409187      7.785612
  H      -2.313054     -3.574800      6.594586
  H      -0.162015     -4.883072      6.163846
  H      -0.593814     -5.918579      7.533651
  H      -0.402955     -5.067967      9.828374
  H       0.428392     -3.299094     11.362047
  H       1.112832     -1.079333     10.456441
  H       0.958466     -0.646843      8.003892
  H       0.117983     -2.417050      6.476883
  N      -4.364644     -2.937914      5.157058
  N      -4.893339     -1.971928      5.893698
  H      -4.553212     -1.902894      6.861678
  H      -4.964797     -1.053334      5.443059
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.904281506038
  N      -2.793489     -3.728573      2.703957
  C      -2.387115     -4.649302      1.652231
  C      -2.223026     -6.049596      2.231835
  N      -3.339582     -6.344981      3.159488
  C      -4.571774     -6.730617      2.438682
  C      -5.780249     -6.502654      3.324931
  N      -5.716316     -5.169507      3.901076
  Mo     -3.849141     -4.429854      4.236548
  N      -2.616754     -5.295923      5.511897
  C      -2.078937     -6.625079      5.238910
  C      -2.955406     -7.312594      4.208190
  H      -2.039444     -7.259545      6.139877
  H      -1.033773     -6.560520      4.874029
  H      -3.883145     -7.648041      4.691615
  H      -2.452804     -8.196397      3.771866
  H      -6.685743     -6.639655      2.704952
  H      -5.819933     -7.293842      4.100715
  H      -4.641256     -6.076923      1.557946
  H      -4.513286     -7.779842      2.092784
  H      -1.423624     -4.356062      1.202720
  H      -3.125637     -4.654412      0.828272
  H      -1.293443     -6.089558      2.815984
  H      -2.163458     -6.820741      1.440539
  C       0.467475     -2.724811      3.073228
  N      -0.844782     -2.663794      3.707388
  C      -2.059878     -2.478966      2.872342
  C      -1.778801     -1.689322      1.581581
  C      -3.052486     -1.395432      0.830845
  C      -4.032791     -0.558146      1.385380
  C      -5.228741     -0.308878      0.712059
  C      -5.466836     -0.891532     -0.536474
  C      -4.495954     -1.718430     -1.104741
  C      -3.300719     -1.965987     -0.424132
  C      -7.558578     -6.669105      6.288560
  N      -6.876917     -5.397083      6.080750
  C      -6.852551     -4.778737      4.737555
  C      -8.194727     -4.940996      4.012262
  C      -9.363323     -4.156654      4.568277
  C     -10.538664     -4.062782      3.803642
  C     -11.645525     -3.349622      4.263115
  C     -11.598869     -2.708542      5.505276
  C     -10.437379     -2.793120      6.274437
  C      -9.328955     -3.509946      5.811616
  C      -3.382123     -6.322607      8.218545
  N      -3.067683     -4.926239      7.935057
  C      -2.211017     -4.654645      6.778543
  C      -0.721953     -4.911375      7.117951
  C      -0.180069     -3.864584      8.052490
  C      -0.117556     -4.076263      9.435491
  C       0.349379     -3.076579     10.292469
  C       0.758773     -1.844486      9.776474
  C       0.697170     -1.619804      8.397872
  C       0.231809     -2.622045      7.544867
  H       0.574806     -3.473261      2.259447
  H       1.212535     -2.969931      3.844300
  H       0.742845     -1.744041      2.659486
  H      -1.024211     -3.519547      4.240774
  H      -2.746485     -1.847133      3.457259
  H      -1.074685     -2.220556      0.924321
  H      -1.287294     -0.748137      1.877513
  H      -3.855024     -0.097058      2.360104
  H      -5.979777      0.343412      1.162391
  H      -6.402477     -0.697520     -1.064234
  H      -4.668138     -2.173728     -2.082345
  H      -2.544718     -2.615079     -0.873440
  H      -7.343691     -7.011333      7.311454
  H      -8.648988     -6.531510      6.218682
  H      -7.279368     -7.489478      5.597972
  H      -5.910051     -5.445099      6.403633
  H      -6.704605     -3.701821      4.910541
  H      -8.028821     -4.624210      2.969954
  H      -8.478823     -6.005312      3.957749
  H     -10.579326     -4.555662      2.828080
  H     -12.546735     -3.289938      3.648992
  H     -12.462494     -2.147678      5.868109
  H     -10.389623     -2.297809      7.246822
  H      -8.431758     -3.595040      6.426760
  H      -2.457833     -6.885208      8.418584
  H      -3.928433     -6.841150      7.404359
  H      -3.999088     -6.372528      9.126845
  H      -3.942061     -4.414135      7.797798
  H      -2.310846     -3.575128      6.606170
  H      -0.157268     -4.886751      6.173094
  H      -0.588920     -5.915662      7.547801
  H      -0.442679     -5.035897      9.844253
  H       0.392152     -3.259998     11.368187
  H       1.125248     -1.063057     10.445050
  H       1.015922     -0.660334      7.984978
  H       0.172356     -2.437517      6.467790
  N      -4.365681     -2.939823      5.155448
  N      -4.903112     -1.971966      5.881207
  H      -4.578411     -1.899063      6.853926
  H      -4.974668     -1.055347      5.426691
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.904724474571
  N      -2.777342     -3.735449      2.708866
  C      -2.371601     -4.656755      1.657270
  C      -2.209580     -6.056428      2.238118
  N      -3.327216     -6.348026      3.165494
  C      -4.557784     -6.735790      2.443204
  C      -5.767970     -6.508480      3.327019
  N      -5.704071     -5.176657      3.906053
  Mo     -3.839578     -4.431140      4.239885
  N      -2.608351     -5.294073      5.519663
  C      -2.070200     -6.623328      5.248125
  C      -2.945111     -7.312809      4.217502
  H      -2.031247     -7.257617      6.149233
  H      -1.024623     -6.558897      4.884126
  H      -3.873925     -7.646408      4.700193
  H      -2.442154     -8.198095      3.784505
  H      -6.672197     -6.643347      2.704822
  H      -5.809984     -7.301489      4.100750
  H      -4.626571     -6.083222      1.561526
  H      -4.497345     -7.785330      2.098534
  H      -1.407813     -4.364309      1.208017
  H      -3.109896     -4.661742      0.832980
  H      -1.280073     -6.097954      2.822308
  H      -2.151759     -6.828575      1.447719
  C       0.481103     -2.752843      3.007112
  N      -0.810433     -2.665620      3.679476
  C      -2.044351     -2.485170      2.871190
  C      -1.792957     -1.684893      1.580772
  C      -3.084530     -1.392854      0.860429
  C      -4.048040     -0.548625      1.433588
  C      -5.261876     -0.304103      0.791092
  C      -5.534869     -0.898841     -0.444532
  C      -4.580882     -1.732465     -1.031299
  C      -3.367553     -1.975016     -0.381601
  C      -7.565974     -6.676049      6.271463
  N      -6.887745     -5.400537      6.073972
  C      -6.846730     -4.781685      4.731572
  C      -8.182696     -4.936601      3.993121
  C      -9.352472     -4.145562      4.537165
  C     -10.514767     -4.035267      3.754895
  C     -11.622494     -3.315840      4.202368
  C     -11.589883     -2.684642      5.450018
  C     -10.441426     -2.785439      6.236625
  C      -9.332175     -3.508691      5.785894
  C      -3.372430     -6.326567      8.227923
  N      -3.062907     -4.929620      7.942846
  C      -2.205982     -4.653965      6.787715
  C      -0.716370     -4.908477      7.128174
  C      -0.174683     -3.859771      8.060481
  C      -0.135160     -4.059472      9.446302
  C       0.331642     -3.057837     10.300961
  C       0.763833     -1.835548      9.780008
  C       0.725145     -1.622756      8.398773
  C       0.260026     -2.627102      7.548022
  H       0.557325     -3.518594      2.206177
  H       1.247741     -2.988732      3.759700
  H       0.751502     -1.783259      2.564860
  H      -0.986195     -3.508549      4.234180
  H      -2.720501     -1.860735      3.475579
  H      -1.102215     -2.210288      0.904795
  H      -1.298616     -0.744090      1.872777
  H      -3.842433     -0.078323      2.398488
  H      -5.999507      0.353753      1.255287
  H      -6.484522     -0.708806     -0.948162
  H      -4.780632     -2.196970     -1.999298
  H      -2.624845     -2.629413     -0.845085
  H      -7.363639     -7.018021      7.296990
  H      -8.656018     -6.543637      6.186962
  H      -7.273535     -7.494483      5.584272
  H      -5.925393     -5.443174      6.410614
  H      -6.695964     -3.705745      4.907547
  H      -8.005248     -4.620740      2.952468
  H      -8.472278     -5.999334      3.935526
  H     -10.544253     -4.520052      2.774876
  H     -12.513291     -3.243407      3.574560
  H     -12.454139     -2.118812      5.803550
  H     -10.404653     -2.297890      7.213417
  H      -8.445586     -3.606714      6.414404
  H      -2.445964     -6.886328      8.425856
  H      -3.919668     -6.847501      7.415907
  H      -3.986125     -6.377708      9.138477
  H      -3.938783     -4.420171      7.805665
  H      -2.308529     -3.574333      6.617282
  H      -0.151302     -4.885772      6.183637
  H      -0.583506     -5.911932      7.560093
  H      -0.478109     -5.011260      9.858646
  H       0.356758     -3.232028     11.378780
  H       1.130399     -1.052715     10.446899
  H       1.061741     -0.671092      7.981992
  H       0.218825     -2.451613      6.468697
  N      -4.366264     -2.940624      5.152951
  N      -4.912008     -1.970278      5.866964
  H      -4.602491     -1.892411      6.843929
  H      -4.983885     -1.056199      5.407573
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.905174357923
  N      -2.761003     -3.742527      2.712140
  C      -2.357513     -4.664621      1.660234
  C      -2.196766     -6.063549      2.242644
  N      -3.314772     -6.351430      3.170783
  C      -4.544318     -6.741639      2.448192
  C      -5.755431     -6.514538      3.330569
  N      -5.691210     -5.183560      3.911507
  Mo     -3.828964     -4.432308      4.242568
  N      -2.599504     -5.292317      5.526954
  C      -2.060217     -6.621334      5.256347
  C      -2.933777     -7.313207      4.226098
  H      -2.020957     -7.255492      6.157545
  H      -1.014496     -6.556306      4.892596
  H      -3.863280     -7.645343      4.708524
  H      -2.430304     -8.199753      3.796230
  H      -6.658893     -6.647756      2.707003
  H      -5.799100     -7.308872      4.102801
  H      -4.613099     -6.090621      1.565333
  H      -4.482220     -7.791646      2.105203
  H      -1.394185     -4.373015      1.209635
  H      -3.096953     -4.669756      0.836865
  H      -1.266871     -6.106075      2.826220
  H      -2.141074     -6.836952      1.453376
  C       0.492897     -2.785527      2.937039
  N      -0.775229     -2.668890      3.648438
  C      -2.027929     -2.492036      2.868071
  C      -1.806970     -1.681051      1.578699
  C      -3.116215     -1.390147      0.890435
  C      -4.062985     -0.541116      1.484016
  C      -5.294405     -0.300939      0.874021
  C      -5.601949     -0.905011     -0.348877
  C      -4.664776     -1.743093     -0.956039
  C      -3.433723     -1.981194     -0.338856
  C      -7.571647     -6.680257      6.257442
  N      -6.896505     -5.401772      6.068538
  C      -6.839787     -4.783873      4.726408
  C      -8.169517     -4.932935      3.975296
  C      -9.340591     -4.134938      4.506286
  C     -10.489119     -4.009112      3.706170
  C     -11.597866     -3.283376      4.140723
  C     -11.580172     -2.661101      5.393129
  C     -10.445438     -2.777187      6.197363
  C      -9.335197     -3.506893      5.759634
  C      -3.363677     -6.329576      8.236301
  N      -3.058974     -4.932057      7.949624
  C      -2.200925     -4.652967      6.796312
  C      -0.711014     -4.904856      7.138548
  C      -0.170652     -3.854545      8.069643
  C      -0.151218     -4.044388      9.457466
  C       0.314101     -3.041080     10.310839
  C       0.764849     -1.826740      9.786814
  C       0.746371     -1.623788      8.403775
  C       0.282872     -2.629999      7.554254
  H       0.535042     -3.569910      2.151827
  H       1.281640     -3.012602      3.669251
  H       0.757838     -1.828931      2.464406
  H      -0.946726     -3.498061      4.224801
  H      -2.692239     -1.874705      3.492224
  H      -1.130833     -2.200515      0.883611
  H      -1.309113     -0.740964      1.866643
  H      -3.829975     -0.063867      2.439309
  H      -6.018727      0.360648      1.353612
  H      -6.565381     -0.718565     -0.827014
  H      -4.891773     -2.214598     -1.914612
  H      -2.704263     -2.639074     -0.818109
  H      -7.381603     -7.021040      7.285699
  H      -8.661068     -6.552593      6.158661
  H      -7.266727     -7.497533      5.574528
  H      -5.938624     -5.439517      6.418122
  H      -6.686629     -3.708677      4.904204
  H      -7.980731     -4.619338      2.935998
  H      -8.464123     -5.994239      3.915955
  H     -10.506791     -4.486593      2.722284
  H     -12.477699     -3.198958      3.499099
  H     -12.445187     -2.090288      5.736651
  H     -10.420318     -2.296612      7.177980
  H      -8.459642     -3.616947      6.401552
  H      -2.435335     -6.886130      8.434494
  H      -3.909867     -6.853435      7.425482
  H      -3.976241     -6.381688      9.147642
  H      -3.936358     -4.425716      7.811084
  H      -2.306023     -3.573277      6.627431
  H      -0.145084     -4.882937      6.194621
  H      -0.577880     -5.907706      7.571847
  H      -0.508685     -4.989787      9.871982
  H       0.323720     -3.207689     11.390108
  H       1.130352     -1.042672     10.452834
  H       1.097637     -0.678531      7.984553
  H       0.258109     -2.462020      6.473313
  N      -4.365404     -2.940820      5.148963
  N      -4.919002     -1.967335      5.850575
  H      -4.623258     -1.882798      6.830945
  H      -4.992563     -1.056679      5.384841
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.905608674180
  N      -2.744228     -3.751234      2.713123
  C      -2.345092     -4.674640      1.660497
  C      -2.184255     -6.072422      2.245138
  N      -3.301660     -6.356589      3.175331
  C      -4.530801     -6.750106      2.453847
  C      -5.742171     -6.522545      3.335680
  N      -5.677490     -5.191577      3.916834
  Mo     -3.817143     -4.434494      4.243905
  N      -2.589966     -5.291173      5.533361
  C      -2.048199     -6.619470      5.263572
  C      -2.920406     -7.314719      4.234203
  H      -2.007582     -7.253313      6.164964
  H      -1.002615     -6.552807      4.899471
  H      -3.850084     -7.645908      4.716983
  H      -2.415989     -8.202278      3.807511
  H      -6.645338     -6.655135      2.711663
  H      -5.786649     -7.317281      4.107429
  H      -4.600418     -6.101434      1.569303
  H      -4.467177     -7.800863      2.113402
  H      -1.383302     -4.384044      1.206348
  H      -3.087459     -4.680592      0.839674
  H      -1.253380     -6.114910      2.827257
  H      -2.131021     -6.847591      1.457494
  C       0.503508     -2.822797      2.863656
  N      -0.739023     -2.674597      3.613661
  C      -2.010210     -2.501011      2.862105
  C      -1.820572     -1.679414      1.574410
  C      -3.147663     -1.387398      0.921658
  C      -4.075406     -0.534187      1.538769
  C      -5.324752     -0.296694      0.965158
  C      -5.669578     -0.907714     -0.244239
  C      -4.751526     -1.749533     -0.874981
  C      -3.502358     -1.984848     -0.294207
  C      -7.575999     -6.682682      6.245372
  N      -6.903494     -5.401755      6.063420
  C      -6.831592     -4.786237      4.721073
  C      -8.155131     -4.930265      3.957807
  C      -9.326946     -4.124378      4.474960
  C     -10.460885     -3.982560      3.656880
  C     -11.570032     -3.249515      4.077896
  C     -11.567436     -2.635644      5.334545
  C     -10.447234     -2.767522      6.156533
  C      -9.336609     -3.504644      5.732413
  C      -3.355281     -6.332838      8.242838
  N      -3.056172     -4.934525      7.954830
  C      -2.196246     -4.651774      6.803929
  C      -0.706113     -4.899490      7.148908
  C      -0.169092     -3.847290      8.079680
  C      -0.167778     -4.028903      9.468921
  C       0.293926     -3.023687     10.321870
  C       0.759147     -1.815438      9.796240
  C       0.759030     -1.620748      8.411984
  C       0.299241     -2.629051      7.562843
  H       0.510525     -3.626128      2.096812
  H       1.314297     -3.041317      3.574092
  H       0.761919     -1.880566      2.359771
  H      -0.905462     -3.489092      4.212111
  H      -2.661194     -1.890249      3.506113
  H      -1.161635     -2.193485      0.859080
  H      -1.317270     -0.740909      1.857693
  H      -3.813013     -0.052071      2.484005
  H      -6.033974      0.368004      1.462670
  H      -6.647098     -0.723583     -0.693790
  H      -5.007870     -2.226168     -1.823565
  H      -2.788032     -2.645680     -0.791787
  H      -7.398198     -7.021283      7.276526
  H      -8.664542     -6.559332      6.132428
  H      -7.259225     -7.499641      5.567702
  H      -5.950101     -5.434990      6.425399
  H      -6.676028     -3.711598      4.899473
  H      -7.955069     -4.620312      2.919575
  H      -8.454958     -5.990115      3.898029
  H     -10.466596     -4.453117      2.669522
  H     -12.438270     -3.152751      3.422376
  H     -12.432728     -2.059077      5.667574
  H     -10.433920     -2.293519      7.140575
  H      -8.472601     -3.626972      6.387753
  H      -2.424953     -6.885288      8.443176
  H      -3.898365     -6.860240      7.432249
  H      -3.968525     -6.386276      9.153711
  H      -3.935333     -4.432119      7.813710
  H      -2.304672     -3.572177      6.636179
  H      -0.138719     -4.877128      6.205947
  H      -0.571664     -5.901761      7.583186
  H      -0.536638     -4.969354      9.884519
  H       0.289501     -3.183969     11.402127
  H       1.121843     -1.029911     10.462060
  H       1.121849     -0.680468      7.991451
  H       0.289670     -2.467416      6.480757
  N      -4.363104     -2.941241      5.142258
  N      -4.924228     -1.963881      5.830583
  H      -4.640486     -1.870694      6.813411
  H      -5.000269     -1.057618      5.356890
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.906041269879
  N      -2.728100     -3.761875      2.711581
  C      -2.336891     -4.687409      1.657171
  C      -2.172240     -6.083311      2.244841
  N      -3.287107     -6.364403      3.179299
  C      -4.516657     -6.763484      2.461095
  C      -5.727584     -6.535167      3.343602
  N      -5.663186     -5.202695      3.922224
  Mo     -3.804687     -4.438588      4.243591
  N      -2.579997     -5.290520      5.539327
  C      -2.032631     -6.616906      5.269827
  C      -2.902926     -7.317658      4.242132
  H      -1.988336     -7.250355      6.171376
  H      -0.987742     -6.546072      4.904291
  H      -3.831809     -7.649306      4.726179
  H      -2.396261     -8.205520      3.818735
  H      -6.631056     -6.669399      2.720485
  H      -5.771050     -7.328814      4.116529
  H      -4.588882     -6.118552      1.574021
  H      -4.450933     -7.815411      2.124637
  H      -1.379273     -4.397616      1.194571
  H      -3.085923     -4.695798      0.842353
  H      -1.239229     -6.123525      2.823837
  H      -2.121690     -6.860983      1.459543
  C       0.513611     -2.860830      2.790701
  N      -0.703274     -2.680835      3.575663
  C      -1.992265     -2.512024      2.852893
  C      -1.834881     -1.680988      1.566852
  C      -3.179965     -1.384764      0.954036
  C      -4.084628     -0.526741      1.598077
  C      -5.352271     -0.289364      1.066023
  C      -5.738960     -0.905380     -0.128048
  C      -4.844090     -1.751423     -0.785884
  C      -3.576339     -1.986451     -0.246747
  C      -7.579835     -6.685442      6.234497
  N      -6.909624     -5.402477      6.058131
  C      -6.822777     -4.790626      4.715096
  C      -8.140057     -4.929951      3.939855
  C      -9.311497     -4.114111      4.441821
  C     -10.429189     -3.954218      3.604919
  C     -11.537374     -3.211450      4.011152
  C     -11.550122     -2.605601      5.271613
  C     -10.446094     -2.755370      6.112215
  C      -9.336453     -3.502300      5.702954
  C      -3.348337     -6.333929      8.249136
  N      -3.055054     -4.934993      7.958754
  C      -2.192022     -4.649773      6.810839
  C      -0.702096     -4.892998      7.159928
  C      -0.169230     -3.838702      8.090649
  C      -0.183500     -4.013468      9.480878
  C       0.274038     -3.006392     10.333742
  C       0.750733     -1.802915      9.807287
  C       0.766573     -1.615158      8.422257
  C       0.310976     -2.625480      7.573174
  H       0.489630     -3.683534      2.045462
  H       1.345154     -3.068143      3.480193
  H       0.763141     -1.934114      2.254793
  H      -0.863309     -3.479460      4.197093
  H      -2.628562     -1.907085      3.516496
  H      -1.196746     -2.191223      0.830194
  H      -1.323303     -0.745151      1.843783
  H      -3.789388     -0.041572      2.532036
  H      -6.043185      0.378854      1.584154
  H      -6.730929     -0.721661     -0.544898
  H      -5.133334     -2.231674     -1.723112
  H      -2.880453     -2.650726     -0.765393
  H      -7.414699     -7.020753      7.268821
  H      -8.667217     -6.566184      6.106957
  H      -7.251367     -7.502907      5.563232
  H      -5.960695     -5.431479      6.432170
  H      -6.664708     -3.716377      4.892871
  H      -7.928246     -4.625476      2.902380
  H      -8.446056     -5.988123      3.881179
  H     -10.422693     -4.418022      2.614373
  H     -12.392729     -3.100706      3.341070
  H     -12.414597     -2.021343      5.593141
  H     -10.444767     -2.287606      7.099331
  H      -8.485111     -3.638242      6.372235
  H      -2.416240     -6.881284      8.455163
  H      -3.885462     -6.866313      7.437844
  H      -3.965057     -6.387914      9.157698
  H      -3.935979     -4.437147      7.812992
  H      -2.303594     -3.570433      6.643062
  H      -0.132447     -4.870227      6.218382
  H      -0.566398     -5.894590      7.595421
  H      -0.561411     -4.950011      9.896998
  H       0.257475     -3.161427     11.414644
  H       1.110163     -1.015939     10.473153
  H       1.138689     -0.678863      8.000991
  H       0.315078     -2.469220      6.490321
  N      -4.361691     -2.943101      5.131886
  N      -4.930862     -1.961168      5.805211
  H      -4.659669     -1.857598      6.790241
  H      -5.010069     -1.060293      5.321992
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.906497933249
  N      -2.713445     -3.775046      2.708104
  C      -2.333784     -4.703431      1.650869
  C      -2.161676     -6.096872      2.242205
  N      -3.272104     -6.375637      3.183156
  C      -4.502924     -6.782638      2.470603
  C      -5.712505     -6.553288      3.355321
  N      -5.649266     -5.217626      3.928280
  Mo     -3.792515     -4.445317      4.242070
  N      -2.570482     -5.291048      5.545227
  C      -2.014342     -6.614337      5.275402
  C      -2.882312     -7.322837      4.250300
  H      -1.963768     -7.247250      6.177118
  H      -0.970853     -6.536782      4.907037
  H      -3.809356     -7.656347      4.736643
  H      -2.372124     -8.210259      3.830263
  H      -6.617055     -6.691827      2.734821
  H      -5.752677     -7.344088      4.131349
  H      -4.579747     -6.142948      1.580169
  H      -4.434516     -7.836149      2.139669
  H      -1.383146     -4.414058      1.174765
  H      -3.093265     -4.715828      0.845778
  H      -1.225430     -6.132601      2.816433
  H      -2.113951     -6.877747      1.459966
  C       0.523449     -2.899660      2.721010
  N      -0.669243     -2.688222      3.535376
  C      -1.974970     -2.525633      2.840895
  C      -1.849380     -1.687334      1.556036
  C      -3.211385     -1.381794      0.986717
  C      -4.087622     -0.517030      1.660248
  C      -5.372274     -0.274069      1.173505
  C      -5.804963     -0.891216     -0.004036
  C      -4.938604     -1.743282     -0.691602
  C      -3.653508     -1.983731     -0.197863
  C      -7.584425     -6.688805      6.226018
  N      -6.915753     -5.404474      6.053525
  C      -6.814299     -4.797875      4.709213
  C      -8.125295     -4.933210      3.922241
  C      -9.295265     -4.105566      4.407754
  C     -10.394837     -3.925434      3.551225
  C     -11.500717     -3.170871      3.941677
  C     -11.529284     -2.573109      5.205710
  C     -10.443288     -2.742957      6.065743
  C      -9.335990     -3.501749      5.672347
  C      -3.341148     -6.334258      8.254674
  N      -3.055326     -4.934476      7.961524
  C      -2.188619     -4.647208      6.816988
  C      -0.699072     -4.884844      7.170949
  C      -0.171185     -3.827756      8.101308
  C      -0.197178     -3.996963      9.492216
  C       0.255795     -2.987709     10.344796
  C       0.739745     -1.787401      9.817622
  C       0.767704     -1.605301      8.432128
  C       0.316652     -2.617937      7.583327
  H       0.474982     -3.742811      2.000866
  H       1.373887     -3.091448      3.391690
  H       0.761477     -1.989897      2.152017
  H      -0.821500     -3.469673      4.180553
  H      -2.595564     -1.925514      3.523281
  H      -1.235888     -2.196480      0.797908
  H      -1.325705     -0.755797      1.824445
  H      -3.756228     -0.031831      2.582020
  H      -6.040636      0.399176      1.714201
  H      -6.810418     -0.703546     -0.385226
  H      -5.263963     -2.224210     -1.616532
  H      -2.980286     -2.652837     -0.739638
  H      -7.432394     -7.019502      7.263822
  H      -8.670316     -6.573140      6.083531
  H      -7.244768     -7.507846      5.562486
  H      -5.971253     -5.429645      6.439119
  H      -6.653814     -3.723814      4.884999
  H      -7.901397     -4.636106      2.885223
  H      -8.438222     -5.989517      3.866305
  H     -10.375719     -4.382356      2.557663
  H     -12.341738     -3.044453      3.256423
  H     -12.391857     -1.979505      5.514923
  H     -10.454309     -2.281472      7.055743
  H      -8.498572     -3.652741      6.356036
  H      -2.406993     -6.874623      8.469618
  H      -3.868811     -6.873155      7.441477
  H      -3.964071     -6.389180      9.158972
  H      -3.938411     -4.442519      7.809391
  H      -2.303807     -3.568365      6.647990
  H      -0.126773     -4.861697      6.231054
  H      -0.561543     -5.885445      7.608130
  H      -0.580837     -4.930870      9.908822
  H       0.230093     -3.138525     11.426096
  H       1.095584     -0.998707     10.483341
  H       1.145831     -0.671757      8.010180
  H       0.331681     -2.466095      6.499991
  N      -4.362155     -2.946962      5.118179
  N      -4.939800     -1.959804      5.774747
  H      -4.681030     -1.843708      6.761409
  H      -5.023064     -1.065553      5.280197
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.906976611589
  N      -2.700859     -3.789844      2.703046
  C      -2.335317     -4.721649      1.642722
  C      -2.153306     -6.112142      2.238258
  N      -3.257656     -6.389108      3.187568
  C      -4.490411     -6.806069      2.483054
  C      -5.697527     -6.575275      3.371465
  N      -5.636204     -5.235087      3.935712
  Mo     -3.781190     -4.453473      4.239942
  N      -2.561667     -5.291916      5.550956
  C      -1.994369     -6.611053      5.280365
  C      -2.859791     -7.329173      4.259055
  H      -1.935164     -7.243007      6.182375
  H      -0.953033     -6.524812      4.907723
  H      -3.783951     -7.665833      4.748766
  H      -2.345049     -8.215438      3.842250
  H      -6.603958     -6.720549      2.755359
  H      -5.732219     -7.361507      4.152406
  H      -4.573664     -6.173121      1.588471
  H      -4.418878     -7.861562      2.159190
  H      -1.393741     -4.432433      1.149609
  H      -3.107770     -4.739276      0.850115
  H      -1.213009     -6.141821      2.806390
  H      -2.108633     -6.896794      1.459677
  C       0.531301     -2.940787      2.652547
  N      -0.637710     -2.696877      3.492183
  C      -1.959192     -2.541029      2.826029
  C      -1.863900     -1.697915      1.541738
  C      -3.240458     -1.377415      1.017467
  C      -4.083328     -0.503515      1.721023
  C      -5.381955     -0.247625      1.280319
  C      -5.862494     -0.860696      0.119362
  C      -5.029592     -1.721201     -0.598396
  C      -3.730232     -1.974584     -0.150650
  C      -7.589088     -6.691406      6.222368
  N      -6.921563     -5.406252      6.051126
  C      -6.806499     -4.807191      4.704609
  C      -8.111352     -4.940936      3.906649
  C      -9.279552     -4.100891      4.374486
  C     -10.360094     -3.901272      3.498349
  C     -11.463387     -3.134687      3.872364
  C     -11.508354     -2.544009      5.139224
  C     -10.441237     -2.733119      6.018633
  C      -9.336591     -3.504000      5.641776
  C      -3.334247     -6.333129      8.259306
  N      -3.056225     -4.932424      7.963493
  C      -2.185659     -4.643737      6.822307
  C      -0.696690     -4.875553      7.181558
  C      -0.174346     -3.815804      8.112022
  C      -0.209650     -3.981196      9.503317
  C       0.238390     -2.970078     10.356156
  C       0.726814     -1.771510      9.829084
  C       0.764413     -1.593295      8.443407
  C       0.318257     -2.607920      7.594358
  H       0.462145     -3.806397      1.961962
  H       1.399781     -3.113034      3.305178
  H       0.755230     -2.050558      2.048134
  H      -0.780950     -3.459725      4.161544
  H      -2.563417     -1.944768      3.526122
  H      -1.278183     -2.209045      0.763136
  H      -1.324424     -0.772422      1.799362
  H      -3.714083     -0.021882      2.630255
  H      -6.023851      0.432555      1.843911
  H      -6.879072     -0.663356     -0.225661
  H      -5.392557     -2.199008     -1.510826
  H      -3.083517     -2.650340     -0.715895
  H      -7.450001     -7.015651      7.264004
  H      -8.673271     -6.579269      6.065079
  H      -7.238842     -7.513283      5.568094
  H      -5.981354     -5.427540      6.447488
  H      -6.644382     -3.732919      4.876496
  H      -7.875824     -4.653401      2.869582
  H      -8.430860     -5.995534      3.855760
  H     -10.327935     -4.352167      2.502392
  H     -12.289409     -2.993218      3.172004
  H     -12.368801     -1.940882      5.435578
  H     -10.465044     -2.277098      7.010927
  H      -8.513509     -3.669225      6.339680
  H      -2.398187     -6.865827      8.484844
  H      -3.850578     -6.878874      7.443405
  H      -3.964987     -6.389285      9.158102
  H      -3.941536     -4.446923      7.804081
  H      -2.304339     -3.565527      6.651179
  H      -0.121363     -4.851750      6.243550
  H      -0.557230     -5.875149      7.620379
  H      -0.596906     -4.913608      9.919809
  H       0.205441     -3.118062     11.437629
  H       1.078784     -0.981335     10.495057
  H       1.146355     -0.661362      8.021405
  H       0.342368     -2.459127      6.510812
  N      -4.363517     -2.951382      5.101858
  N      -4.949576     -1.958553      5.740647
  H      -4.701215     -1.827267      6.727805
  H      -5.039632     -1.072566      5.232718
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.907451245580
  N      -2.689702     -3.804374      2.696695
  C      -2.340113     -4.739810      1.633302
  C      -2.147141     -6.127150      2.233026
  N      -3.244129     -6.402543      3.192027
  C      -4.479279     -6.830542      2.497423
  C      -5.682866     -6.597873      3.390758
  N      -5.623709     -5.252497      3.944280
  Mo     -3.770390     -4.461091      4.237335
  N      -2.552976     -5.292072      5.555667
  C      -1.973307     -6.606296      5.283831
  C      -2.836329     -7.334959      4.267373
  H      -1.903829     -7.236914      6.186186
  H      -0.934772     -6.510254      4.905728
  H      -3.756708     -7.675707      4.761412
  H      -2.316542     -8.219484      3.853285
  H      -6.591839     -6.751317      2.780490
  H      -5.710544     -7.378367      4.177757
  H      -4.570282     -6.205287      1.598286
  H      -4.404528     -7.888225      2.181569
  H      -1.408848     -4.450902      1.121380
  H      -3.126790     -4.762982      0.854850
  H      -1.202234     -6.150263      2.793991
  H      -2.106052     -6.915773      1.458325
  C       0.536381     -2.984498      2.583502
  N      -0.607989     -2.706288      3.446281
  C      -1.944404     -2.556582      2.808899
  C      -1.878225     -1.710091      1.525098
  C      -3.266959     -1.372240      1.045917
  C      -4.073997     -0.487814      1.777728
  C      -5.383954     -0.216039      1.382620
  C      -5.912099     -0.823295      0.239454
  C      -5.115155     -1.693748     -0.506592
  C      -3.804231     -1.963177     -0.104260
  C      -7.592994     -6.691680      6.222991
  N      -6.926552     -5.406026      6.050716
  C      -6.798935     -4.816275      4.701339
  C      -8.097937     -4.950679      3.893316
  C      -9.264408     -4.098565      4.342934
  C     -10.326001     -3.881693      3.448030
  C     -11.427014     -3.104077      3.805675
  C     -11.488557     -2.519252      5.074525
  C     -10.440130     -2.725262      5.972415
  C      -9.337869     -3.507258      5.612049
  C      -3.326837     -6.332529      8.261040
  N      -3.056820     -4.930481      7.964365
  C      -2.182733     -4.639428      6.826468
  C      -0.694289     -4.864856      7.190935
  C      -0.178676     -3.803479      8.123332
  C      -0.222895     -3.967681      9.514617
  C       0.219056     -2.955735     10.369511
  C       0.710389     -1.757337      9.844733
  C       0.757205     -1.580368      8.459263
  C       0.317086     -2.595948      7.608172
  H       0.447108     -3.874019      1.926973
  H       1.422982     -3.135089      3.216850
  H       0.743801     -2.116830      1.941629
  H      -0.741229     -3.449369      4.139886
  H      -2.531813     -1.963521      3.525707
  H      -1.322010     -2.225097      0.727581
  H      -1.321320     -0.791492      1.769955
  H      -3.667019     -0.010680      2.673218
  H      -5.997435      0.472174      1.967703
  H      -6.937727     -0.613984     -0.069782
  H      -5.515626     -2.167394     -1.405351
  H      -3.186051     -2.647052     -0.691219
  H      -7.466227     -7.008044      7.268598
  H      -8.675360     -6.583267      6.051502
  H      -7.232789     -7.517264      5.579027
  H      -5.990492     -5.423162      6.457037
  H      -6.635810     -3.741467      4.867792
  H      -7.851631     -4.674308      2.855798
  H      -8.423354     -6.003774      3.849355
  H     -10.280723     -4.327665      2.450392
  H     -12.238155     -2.949325      3.090912
  H     -12.347143     -1.907417      5.358056
  H     -10.476838     -2.273698      6.966339
  H      -8.528763     -3.684838      6.323375
  H      -2.388945     -6.857594      8.496647
  H      -3.831367     -6.884013      7.441622
  H      -3.965622     -6.391347      9.153948
  H      -3.944434     -4.451596      7.798117
  H      -2.305391     -3.561895      6.653444
  H      -0.115674     -4.838676      6.255024
  H      -0.552305     -5.863898      7.630139
  H      -0.612561     -4.899843      9.929302
  H       0.179168     -3.102940     11.450831
  H       1.057605     -0.966490     10.512351
  H       1.141758     -0.648793      8.038927
  H       0.349966     -2.448192      6.524769
  N      -4.364171     -2.954482      5.083987
  N      -4.958096     -1.955818      5.704877
  H      -4.716340     -1.806912      6.690928
  H      -5.057345     -1.079625      5.181979
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.907910708012
  N      -2.680072     -3.816198      2.690822
  C      -2.348458     -4.754636      1.623627
  C      -2.143418     -6.139111      2.226194
  N      -3.231738     -6.413856      3.195892
  C      -4.469607     -6.853279      2.512484
  C      -5.668797     -6.618945      3.411810
  N      -5.612001     -5.268302      3.953954
  Mo     -3.760411     -4.467024      4.235246
  N      -2.544789     -5.291560      5.559752
  C      -1.951559     -6.599821      5.285029
  C      -2.812259     -7.339047      4.273794
  H      -1.870164     -7.229498      6.187154
  H      -0.916520     -6.492487      4.900412
  H      -3.727969     -7.685221      4.772777
  H      -2.286940     -8.220891      3.861147
  H      -6.580773     -6.781192      2.808422
  H      -5.688298     -7.393283      4.205179
  H      -4.569508     -6.235888      1.608949
  H      -4.391518     -7.913069      2.204664
  H      -1.428876     -4.465917      1.091378
  H      -3.150575     -4.782824      0.861096
  H      -1.193343     -6.155673      2.778831
  H      -2.106498     -6.931198      1.454889
  C       0.538583     -3.028642      2.517287
  N      -0.580290     -2.714526      3.401054
  C      -1.930550     -2.569957      2.792477
  C      -1.891895     -1.721207      1.509127
  C      -3.290603     -1.366939      1.072936
  C      -4.061571     -0.469619      1.827616
  C      -5.380798     -0.183364      1.476115
  C      -5.954764     -0.788753      0.354258
  C      -5.194078     -1.671712     -0.414568
  C      -3.873612     -1.955638     -0.055765
  C      -7.596795     -6.690184      6.225888
  N      -6.931463     -5.404132      6.051652
  C      -6.791998     -4.824102      4.699311
  C      -8.085275     -4.960401      3.881654
  C      -9.250265     -4.096953      4.312776
  C     -10.292858     -3.864659      3.399706
  C     -11.392131     -3.077304      3.741100
  C     -11.470802     -2.497810      5.011414
  C     -10.440994     -2.718730      5.927127
  C      -9.340618     -3.510567      5.583144
  C      -3.318816     -6.333596      8.260908
  N      -3.056727     -4.929807      7.965274
  C      -2.179868     -4.635320      6.830271
  C      -0.691750     -4.854199      7.198955
  C      -0.182978     -3.792106      8.134323
  C      -0.234400     -3.957311      9.525322
  C       0.201349     -2.945405     10.383305
  C       0.693749     -1.745869      9.862124
  C       0.748059     -1.567958      8.477125
  C       0.314095     -2.583627      7.622950
  H       0.429499     -3.942329      1.898424
  H       1.443104     -3.156848      3.129896
  H       0.727750     -2.186185      1.837398
  H      -0.702806     -3.437081      4.118151
  H      -2.500790     -1.979750      3.525243
  H      -1.365304     -2.241477      0.695088
  H      -1.317806     -0.809430      1.739370
  H      -3.618427      0.006258      2.706571
  H      -5.965644      0.514884      2.078402
  H      -6.987824     -0.568585      0.079318
  H      -5.630691     -2.144402     -1.296798
  H      -3.284300     -2.650009     -0.659839
  H      -7.481911     -6.998176      7.275339
  H      -8.677237     -6.585688      6.040679
  H      -7.227012     -7.519683      5.592602
  H      -5.999404     -5.417157      6.467348
  H      -6.628302     -3.748634      4.859827
  H      -7.828661     -4.695840      2.843640
  H      -8.416045     -6.012101      3.845445
  H     -10.234058     -4.306223      2.400844
  H     -12.188387     -2.910706      3.012434
  H     -12.327979     -1.878328      5.282208
  H     -10.491001     -2.271145      6.922255
  H      -8.545266     -3.698921      6.307292
  H      -2.379242     -6.851398      8.505708
  H      -3.811536     -6.889458      7.437275
  H      -3.965526     -6.396432      9.147778
  H      -3.946631     -4.457304      7.793201
  H      -2.306803     -3.558409      6.656091
  H      -0.110300     -4.824234      6.264907
  H      -0.546562     -5.853117      7.637319
  H      -0.625068     -4.890251      9.937202
  H       0.155855     -3.093534     11.464249
  H       1.036117     -0.955019     10.532183
  H       1.133786     -0.635695      8.059483
  H       0.354367     -2.435245      6.539905
  N      -4.364720     -2.956012      5.066836
  N      -4.966149     -1.951888      5.670323
  H      -4.728682     -1.784524      6.654234
  H      -5.076080     -1.086363      5.132071
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.908372701045
  N      -2.672108     -3.825249      2.685589
  C      -2.361376     -4.765717      1.613262
  C      -2.142588     -6.147858      2.216629
  N      -3.220496     -6.423468      3.198409
  C      -4.461652     -6.874885      2.527965
  C      -5.655316     -6.639233      3.434901
  N      -5.601128     -5.283116      3.964952
  Mo     -3.751155     -4.471972      4.233658
  N      -2.537169     -5.291661      5.563081
  C      -1.928383     -6.592361      5.282910
  C      -2.786885     -7.342131      4.277116
  H      -1.832788     -7.221911      6.183820
  H      -0.897827     -6.471359      4.890446
  H      -3.696703     -7.695581      4.781821
  H      -2.255378     -8.219990      3.864111
  H      -6.570917     -6.811082      2.839808
  H      -5.665060     -7.406933      4.234976
  H      -4.572152     -6.265605      1.620246
  H      -4.380052     -7.936678      2.228165
  H      -1.455495     -4.476875      1.058457
  H      -3.180720     -4.798141      0.869288
  H      -1.186582     -6.157703      2.759342
  H      -2.110511     -6.942647      1.447962
  C       0.539093     -3.073122      2.456620
  N      -0.554647     -2.721875      3.357836
  C      -1.917505     -2.581041      2.777517
  C      -1.904434     -1.731503      1.494038
  C      -3.310897     -1.361474      1.097748
  C      -4.044835     -0.445650      1.867064
  C      -5.371103     -0.145542      1.555894
  C      -5.989777     -0.755816      0.460771
  C      -5.266387     -1.657191     -0.322432
  C      -3.938488     -1.954528     -0.004292
  C      -7.600760     -6.687352      6.231288
  N      -6.936095     -5.401261      6.054209
  C      -6.785624     -4.831192      4.698929
  C      -8.073529     -4.970120      3.872369
  C      -9.236781     -4.095653      4.285179
  C     -10.260161     -3.848387      3.354618
  C     -11.357632     -3.051863      3.680261
  C     -11.453529     -2.477868      4.951840
  C     -10.442453     -2.713160      5.884690
  C      -9.344063     -3.514271      5.556593
  C      -3.308981     -6.339186      8.258384
  N      -3.056346     -4.932909      7.966058
  C      -2.177596     -4.632756      6.833788
  C      -0.689433     -4.843471      7.205658
  C      -0.188612     -3.780948      8.144851
  C      -0.243400     -3.949942      9.535318
  C       0.185096     -2.938383     10.397219
  C       0.673599     -1.735248      9.880706
  C       0.731479     -1.553592      8.496413
  C       0.304734     -2.569036      7.638323
  H       0.411917     -4.010291      1.877818
  H       1.460398     -3.178783      3.048174
  H       0.709451     -2.257994      1.739551
  H      -0.665825     -3.423726      4.097388
  H      -2.470216     -1.993245      3.525488
  H      -1.407585     -2.259114      0.666208
  H      -1.313191     -0.826634      1.707365
  H      -3.566636      0.034211      2.725326
  H      -5.926467      0.567553      2.168627
  H      -7.028503     -0.525263      0.217703
  H      -5.738200     -2.134098     -1.183975
  H      -3.378866     -2.664038     -0.618890
  H      -7.497288     -6.986603      7.284424
  H      -8.679171     -6.586536      6.033000
  H      -7.222181     -7.521051      5.608915
  H      -6.007778     -5.410720      6.478266
  H      -6.621514     -3.755017      4.853133
  H      -7.807208     -4.717960      2.833810
  H      -8.409520     -6.020388      3.844679
  H     -10.187729     -4.285456      2.354717
  H     -12.138861     -2.873723      2.938225
  H     -12.309269     -1.851223      5.210278
  H     -10.505817     -2.269641      6.880854
  H      -8.562383     -3.712970      6.292949
  H      -2.367435     -6.848930      8.512318
  H      -3.788430     -6.898588      7.429339
  H      -3.964182     -6.408277      9.138468
  H      -3.949005     -4.467497      7.788985
  H      -2.310146     -3.556478      6.659525
  H      -0.105697     -4.807680      6.273217
  H      -0.539222     -5.842518      7.641932
  H      -0.631243     -4.885600      9.943585
  H       0.137018     -3.089606     11.477589
  H       1.010259     -0.944609     10.553834
  H       1.114426     -0.618659      8.082295
  H       0.349137     -2.417836      6.555823
  N      -4.365175     -2.956991      5.051043
  N      -4.973468     -1.947798      5.637987
  H      -4.738737     -1.762282      6.619085
  H      -5.093984     -1.093208      5.084838
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.909146668233
  N      -2.667770     -3.824196      2.683432
  C      -2.384614     -4.764259      1.600636
  C      -2.144297     -6.147320      2.199846
  N      -3.208265     -6.431917      3.197718
  C      -4.455020     -6.897077      2.543015
  C      -5.641101     -6.661892      3.462147
  N      -5.591531     -5.298135      3.978529
  Mo     -3.741721     -4.476749      4.233365
  N      -2.530038     -5.298009      5.564554
  C      -1.896529     -6.586479      5.271381
  C      -2.753702     -7.348360      4.271916
  H      -1.777686     -7.217139      6.168910
  H      -0.874099     -6.443201      4.865500
  H      -3.653286     -7.715961      4.784967
  H      -2.213742     -8.217709      3.852355
  H      -6.561877     -6.846786      2.879073
  H      -5.636511     -7.421820      4.270106
  H      -4.580785     -6.295824      1.632083
  H      -4.369060     -7.960354      2.250003
  H      -1.498816     -4.472343      1.015919
  H      -3.226429     -4.800987      0.882240
  H      -1.180208     -6.146846      2.728476
  H      -2.116728     -6.942879      1.431877
  C       0.544813     -3.119304      2.422320
  N      -0.533480     -2.720430      3.322335
  C      -1.906324     -2.581015      2.768981
  C      -1.918129     -1.740901      1.478422
  C      -3.330191     -1.356476      1.117638
  C      -4.025697     -0.413076      1.889365
  C      -5.357264     -0.100895      1.614896
  C      -6.020611     -0.727356      0.555718
  C      -5.336082     -1.656672     -0.229352
  C      -4.002506     -1.965310      0.051329
  C      -7.608957     -6.676601      6.248366
  N      -6.938415     -5.394832      6.062910
  C      -6.780956     -4.837699      4.702612
  C      -8.064300     -4.982158      3.867872
  C      -9.225634     -4.095536      4.259091
  C     -10.230405     -3.838253      3.311510
  C     -11.325900     -3.032037      3.619342
  C     -11.437862     -2.457838      4.889288
  C     -10.444343     -2.701750      5.838529
  C      -9.348264     -3.512677      5.528476
  C      -3.305215     -6.344256      8.245940
  N      -3.055394     -4.935118      7.963391
  C      -2.172775     -4.633743      6.833764
  C      -0.685575     -4.837350      7.209951
  C      -0.194184     -3.774334      8.153697
  C      -0.240045     -3.952431      9.543131
  C       0.179540     -2.940884     10.409195
  C       0.650190     -1.728623      9.897920
  C       0.699305     -1.537873      8.514645
  C       0.281265     -2.553336      7.652478
  H       0.406625     -4.084891      1.894857
  H       1.475709     -3.196269      3.003122
  H       0.704012     -2.341693      1.662464
  H      -0.628338     -3.403393      4.079396
  H      -2.444000     -1.993802      3.528593
  H      -1.452727     -2.285151      0.643489
  H      -1.308609     -0.842283      1.664001
  H      -3.513384      0.079049      2.720537
  H      -5.881760      0.634593      2.228232
  H      -7.063600     -0.487885      0.342084
  H      -5.842911     -2.146865     -1.062875
  H      -3.474294     -2.698105     -0.563463
  H      -7.514865     -6.964677      7.305416
  H      -8.685184     -6.574080      6.040338
  H      -7.228376     -7.518177      5.637955
  H      -6.011111     -5.406375      6.491512
  H      -6.617319     -3.760321      4.847731
  H      -7.788015     -4.746507      2.828242
  H      -8.405414     -6.030877      3.853087
  H     -10.145127     -4.275386      2.312852
  H     -12.092730     -2.846368      2.864481
  H     -12.291933     -1.823584      5.133597
  H     -10.519761     -2.257154      6.833214
  H      -8.578055     -3.715871      6.275648
  H      -2.365710     -6.850030      8.514661
  H      -3.766076     -6.902211      7.405563
  H      -3.976492     -6.420939      9.112828
  H      -3.948474     -4.473356      7.778929
  H      -2.308720     -3.558384      6.656489
  H      -0.098539     -4.795225      6.279736
  H      -0.530604     -5.836426      7.644179
  H      -0.614562     -4.895052      9.947559
  H       0.138109     -3.099227     11.488641
  H       0.979610     -0.937837     10.574166
  H       1.068404     -0.595865      8.104420
  H       0.319708     -2.395277      6.570649
  N      -4.361588     -2.960710      5.044779
  N      -4.975644     -1.946288      5.621289
  H      -4.741874     -1.749044      6.600736
  H      -5.099001     -1.098812      5.057327
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.909682516666
  N      -2.661145     -3.826645      2.678783
  C      -2.402067     -4.768933      1.591166
  C      -2.144598     -6.151198      2.188264
  N      -3.195804     -6.442683      3.199543
  C      -4.447117     -6.921921      2.561900
  C      -5.624517     -6.685195      3.493143
  N      -5.579610     -5.313731      3.991094
  Mo     -3.730332     -4.482607      4.230436
  N      -2.521963     -5.304817      5.563898
  C      -1.865706     -6.580781      5.261323
  C      -2.721556     -7.355156      4.269540
  H      -1.725188     -7.209016      6.157411
  H      -0.852157     -6.416880      4.842270
  H      -3.611253     -7.734987      4.790772
  H      -2.174174     -8.216760      3.844312
  H      -6.550601     -6.884425      2.923482
  H      -5.604912     -7.434453      4.311113
  H      -4.588348     -6.330723      1.646774
  H      -4.356903     -7.987212      2.278271
  H      -1.533485     -4.476701      0.980694
  H      -3.262280     -4.810699      0.895698
  H      -1.174705     -6.140308      2.705888
  H      -2.120062     -6.948404      1.422148
  C       0.541447     -3.172409      2.375065
  N      -0.514437     -2.721616      3.278226
  C      -1.894904     -2.583939      2.754322
  C      -1.934757     -1.752025      1.458243
  C      -3.351892     -1.350682      1.138604
  C      -4.006101     -0.384659      1.918388
  C      -5.342488     -0.058370      1.686674
  C      -6.052389     -0.692772      0.662983
  C      -5.409207     -1.644228     -0.130304
  C      -4.070801     -1.967033      0.107522
  C      -7.615922     -6.657065      6.267163
  N      -6.937200     -5.381468      6.069605
  C      -6.772620     -4.842315      4.703116
  C      -8.050982     -4.995281      3.861501
  C      -9.209544     -4.096458      4.231182
  C     -10.195842     -3.828967      3.267451
  C     -11.288177     -3.012075      3.558206
  C     -11.415075     -2.437611      4.826514
  C     -10.439381     -2.691262      5.791634
  C      -9.346616     -3.512618      5.498770
  C      -3.296422     -6.355902      8.227623
  N      -3.054975     -4.942117      7.958661
  C      -2.169740     -4.634362      6.831783
  C      -0.683602     -4.828009      7.213473
  C      -0.205642     -3.764786      8.164092
  C      -0.240813     -3.954867      9.551994
  C       0.166498     -2.943516     10.424117
  C       0.614110     -1.719548      9.920359
  C       0.652706     -1.516827      8.538459
  C       0.246834     -2.532100      7.670395
  H       0.386219     -4.164261      1.903683
  H       1.484761     -3.223217      2.938133
  H       0.686299     -2.437074      1.571143
  H      -0.589696     -3.384048      4.055784
  H      -2.417452     -1.996195      3.523670
  H      -1.503663     -2.311903      0.615499
  H      -1.306819     -0.860599      1.614706
  H      -3.458165      0.113151      2.723000
  H      -5.834076      0.694996      2.305588
  H      -7.099185     -0.442403      0.483288
  H      -5.952371     -2.140917     -0.936635
  H      -3.575712     -2.717479     -0.513319
  H      -7.530766     -6.931581      7.328559
  H      -8.690009     -6.551740      6.049924
  H      -7.235119     -7.508538      5.670319
  H      -6.011282     -5.396183      6.501314
  H      -6.608348     -3.763456      4.834987
  H      -7.765340     -4.778091      2.820550
  H      -8.396921     -6.042525      3.862118
  H     -10.098425     -4.266242      2.270000
  H     -12.040632     -2.818191      2.791061
  H     -12.266804     -1.795236      5.057350
  H     -10.526397     -2.246126      6.785114
  H      -8.588529     -3.722107      6.256752
  H      -2.357254     -6.854611      8.510594
  H      -3.735216     -6.911606      7.374084
  H      -3.984011     -6.445272      9.080212
  H      -3.950239     -4.486654      7.768159
  H      -2.311824     -3.560156      6.652604
  H      -0.092305     -4.776513      6.286331
  H      -0.522104     -5.827421      7.644383
  H      -0.597572     -4.906756      9.950882
  H       0.133302     -3.111287     11.502399
  H       0.933913     -0.928805     10.601225
  H       1.004258     -0.565728      8.133878
  H       0.278390     -2.365277      6.589607
  N      -4.352691     -2.962816      5.032859
  N      -4.971461     -1.941389      5.595708
  H      -4.734616     -1.728876      6.571117
  H      -5.095555     -1.103508      5.017893
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.910082393874
  N      -2.653665     -3.829943      2.676777
  C      -2.414305     -4.773750      1.586626
  C      -2.143801     -6.154563      2.181121
  N      -3.183126     -6.452048      3.203116
  C      -4.436819     -6.944765      2.580991
  C      -5.606691     -6.706884      3.521532
  N      -5.566547     -5.329936      4.002543
  Mo     -3.719715     -4.488740      4.228616
  N      -2.514060     -5.310427      5.564095
  C      -1.837928     -6.574002      5.254482
  C      -2.690679     -7.359538      4.269188
  H      -1.678870     -7.199056      6.149426
  H      -0.832297     -6.391361      4.824833
  H      -3.571600     -7.750491      4.796999
  H      -2.136015     -8.213884      3.839086
  H      -6.536858     -6.918883      2.963279
  H      -5.574070     -7.446317      4.348228
  H      -4.591915     -6.363332      1.661806
  H      -4.341792     -8.012017      2.306603
  H      -1.559286     -4.482177      0.956794
  H      -3.288735     -4.819249      0.909286
  H      -1.169585     -6.136112      2.690306
  H      -2.121599     -6.952440      1.415779
  C       0.529603     -3.215330      2.322551
  N      -0.498263     -2.719046      3.236055
  C      -1.886572     -2.586477      2.741510
  C      -1.957223     -1.755864      1.445273
  C      -3.380630     -1.345624      1.168374
  C      -4.002241     -0.370129      1.962903
  C      -5.344479     -0.038830      1.775564
  C      -6.093011     -0.677394      0.782327
  C      -5.482625     -1.638275     -0.025433
  C      -4.138423     -1.966340      0.168175
  C      -7.622251     -6.641589      6.279410
  N      -6.936998     -5.370826      6.072298
  C      -6.763064     -4.848017      4.700696
  C      -8.035924     -5.007447      3.851332
  C      -9.190841     -4.094715      4.197382
  C     -10.155033     -3.815089      3.215015
  C     -11.242992     -2.985263      3.485485
  C     -11.387292     -2.409913      4.751453
  C     -10.433167     -2.675191      5.734997
  C      -9.344926     -3.509320      5.462543
  C      -3.294969     -6.360011      8.220615
  N      -3.054542     -4.944522      7.957256
  C      -2.166908     -4.635380      6.831180
  C      -0.681918     -4.824076      7.218134
  C      -0.211839     -3.760229      8.172173
  C      -0.239679     -3.956317      9.559219
  C       0.160918     -2.944471     10.434006
  C       0.594556     -1.714140      9.933622
  C       0.626105     -1.505433      8.552367
  C       0.226832     -2.521141      7.681820
  H       0.356227     -4.227810      1.905613
  H       1.489100     -3.242547      2.859075
  H       0.651264     -2.520565      1.479510
  H      -0.553407     -3.358278      4.035190
  H      -2.396229     -2.000066      3.520320
  H      -1.556203     -2.322486      0.592304
  H      -1.318031     -0.868796      1.579189
  H      -3.424356      0.130044      2.744733
  H      -5.810115      0.722295      2.405091
  H      -7.144431     -0.423506      0.637937
  H      -6.056281     -2.138848     -0.807928
  H      -3.669505     -2.724944     -0.462934
  H      -7.546175     -6.904268      7.344487
  H      -8.694241     -6.535029      6.052632
  H      -7.239638     -7.501072      5.695031
  H      -6.013220     -5.387560      6.508121
  H      -6.597098     -3.768037      4.820473
  H      -7.739879     -4.809158      2.809614
  H      -8.388361     -6.052442      3.866659
  H     -10.043469     -4.252868      2.219257
  H     -11.978110     -2.781804      2.704095
  H     -12.235562     -1.757405      4.966255
  H     -10.533640     -2.228887      6.726715
  H      -8.602042     -3.726300      6.233494
  H      -2.358010     -6.856271      8.515110
  H      -3.720330     -6.914685      7.359782
  H      -3.993985     -6.453201      9.063388
  H      -3.949979     -4.490384      7.763566
  H      -2.311608     -3.562094      6.649464
  H      -0.086759     -4.768537      6.293583
  H      -0.518137     -5.823329      7.648383
  H      -0.585478     -4.913304      9.955741
  H       0.133400     -3.116993     11.511720
  H       0.909239     -0.923021     10.616479
  H       0.967320     -0.549491      8.150288
  H       0.254526     -2.350416      6.601527
  N      -4.344907     -2.964539      5.019791
  N      -4.969304     -1.936723      5.566135
  H      -4.728095     -1.705703      6.536171
  H      -5.096575     -1.110420      4.972392
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.910458519465
  N      -2.642886     -3.835367      2.673746
  C      -2.420838     -4.780440      1.582231
  C      -2.141734     -6.160199      2.174204
  N      -3.170557     -6.462164      3.205315
  C      -4.425858     -6.965720      2.596646
  C      -5.589370     -6.725082      3.543819
  N      -5.551461     -5.344454      4.010234
  Mo     -3.707360     -4.495683      4.224395
  N      -2.504536     -5.316562      5.561537
  C      -1.814075     -6.570710      5.249003
  C      -2.663106     -7.364897      4.268278
  H      -1.642632     -7.191971      6.144140
  H      -0.813916     -6.374676      4.812640
  H      -3.537287     -7.764631      4.800693
  H      -2.102649     -8.213465      3.834361
  H      -6.522996     -6.946821      2.995064
  H      -5.546946     -7.455968      4.377948
  H      -4.592164     -6.393285      1.673606
  H      -4.327400     -8.034918      2.330993
  H      -1.575838     -4.490860      0.937985
  H      -3.306096     -4.827847      0.918865
  H      -1.163907     -6.137955      2.676442
  H      -2.122491     -6.957805      1.408533
  C       0.516370     -3.252878      2.268046
  N      -0.481476     -2.715486      3.193532
  C      -1.877637     -2.589950      2.727534
  C      -1.981703     -1.755941      1.434905
  C      -3.413270     -1.346135      1.203259
  C      -4.010072     -0.372882      2.019360
  C      -5.359986     -0.048287      1.880854
  C      -6.141047     -0.691375      0.915871
  C      -5.555641     -1.649542      0.086477
  C      -4.203678     -1.971058      0.231316
  C      -7.627485     -6.625091      6.284911
  N      -6.934984     -5.359265      6.070063
  C      -6.750294     -4.851096      4.694343
  C      -8.018392     -5.012778      3.837905
  C      -9.166686     -4.084619      4.163684
  C     -10.107741     -3.787645      3.164177
  C     -11.188357     -2.942588      3.417039
  C     -11.348066     -2.369261      4.682012
  C     -10.416641     -2.651598      5.682631
  C      -9.335922     -3.500834      5.427885
  C      -3.289485     -6.371270      8.209897
  N      -3.053852     -4.953494      7.953406
  C      -2.164988     -4.638491      6.829266
  C      -0.680669     -4.818891      7.223099
  C      -0.221583     -3.752522      8.179793
  C      -0.245133     -3.951865      9.566280
  C       0.145632     -2.937409     10.442711
  C       0.565005     -1.701353      9.944362
  C       0.592386     -1.489341      8.563422
  C       0.202939     -2.507551      7.691442
  H       0.325848     -4.281595      1.903697
  H       1.492810     -3.258974      2.773651
  H       0.610092     -2.596854      1.391125
  H      -0.516242     -3.329394      4.013739
  H      -2.376535     -2.005781      3.515032
  H      -1.606741     -2.321464      0.569380
  H      -1.338268     -0.869676      1.551872
  H      -3.406593      0.129019      2.780396
  H      -5.806040      0.711193      2.526453
  H      -7.198573     -0.443603      0.810563
  H      -6.155204     -2.154077     -0.673771
  H      -3.754422     -2.729036     -0.414668
  H      -7.559414     -6.878026      7.352882
  H      -8.697524     -6.516417      6.050064
  H      -7.244232     -7.491484      5.711027
  H      -6.013192     -5.379141      6.509536
  H      -6.580477     -3.770657      4.803795
  H      -7.713091     -4.831333      2.795822
  H      -8.379671     -6.054552      3.865747
  H      -9.983435     -4.223658      2.169145
  H     -11.905313     -2.725469      2.622511
  H     -12.190450     -1.704739      4.882887
  H     -10.529087     -2.206478      6.673623
  H      -8.609195     -3.729325      6.210979
  H      -2.353068     -6.863348      8.513214
  H      -3.702252     -6.924888      7.342362
  H      -3.997435     -6.470442      9.044442
  H      -3.950604     -4.502092      7.759038
  H      -2.315307     -3.566152      6.647211
  H      -0.080691     -4.759163      6.301896
  H      -0.513464     -5.817265      7.653948
  H      -0.579833     -4.913402      9.961443
  H       0.121517     -3.112501     11.520115
  H       0.872011     -0.908221     10.628424
  H       0.922819     -0.528935      8.162899
  H       0.228302     -2.334894      6.611407
  N      -4.332040     -2.965464      5.003020
  N      -4.961058     -1.930197      5.530433
  H      -4.714206     -1.678290      6.493843
  H      -5.091018     -1.117008      4.918928
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.910824278574
  N      -2.631050     -3.839270      2.671340
  C      -2.424461     -4.784468      1.578154
  C      -2.138467     -6.163611      2.167266
  N      -3.157957     -6.469922      3.206321
  C      -4.414157     -6.982055      2.608264
  C      -5.572963     -6.738796      3.559819
  N      -5.535370     -5.356231      4.016094
  Mo     -3.694730     -4.500855      4.219690
  N      -2.493694     -5.320463      5.557629
  C      -1.793123     -6.567795      5.244568
  C      -2.637976     -7.368562      4.266493
  H      -1.613996     -7.185868      6.140251
  H      -0.796064     -6.362594      4.804958
  H      -3.507042     -7.775884      4.801650
  H      -2.072592     -8.212125      3.829310
  H      -6.509334     -6.967064      3.018261
  H      -5.523668     -7.463642      4.399157
  H      -4.588902     -6.416737      1.682223
  H      -4.313037     -8.052757      2.349481
  H      -1.587501     -4.496459      0.922631
  H      -3.318356     -4.832851      0.926129
  H      -1.157214     -6.139969      2.663028
  H      -2.122506     -6.959872      1.400084
  C       0.503453     -3.277106      2.217720
  N      -0.466939     -2.705181      3.153146
  C      -1.870958     -2.590289      2.714215
  C      -2.010793     -1.752008      1.426664
  C      -3.452263     -1.352449      1.242192
  C      -4.028282     -0.385161      2.080131
  C      -5.387173     -0.079394      1.996554
  C      -6.198123     -0.736042      1.065917
  C      -5.633520     -1.686423      0.213251
  C      -4.272210     -1.988752      0.302731
  C      -7.631113     -6.611883      6.283506
  N      -6.932581     -5.349735      6.064733
  C      -6.736176     -4.852463      4.686439
  C      -7.999371     -5.013657      3.822098
  C      -9.139954     -4.069201      4.127130
  C     -10.055765     -3.754595      3.109741
  C     -11.128094     -2.893410      3.343336
  C     -11.304490     -2.321354      4.606573
  C     -10.397938     -2.620974      5.625038
  C      -9.325650     -3.486233      5.389607
  C      -3.291029     -6.376098      8.202768
  N      -3.053335     -4.958165      7.948826
  C      -2.161840     -4.641406      6.826956
  C      -0.678924     -4.818491      7.229348
  C      -0.227641     -3.749229      8.186535
  C      -0.252782     -3.947063      9.573072
  C       0.130928     -2.929395     10.449115
  C       0.544749     -1.691763      9.950175
  C       0.573829     -1.481168      8.568944
  C       0.191432     -2.502449      7.697561
  H       0.302692     -4.319862      1.903705
  H       1.495761     -3.260396      2.691206
  H       0.565401     -2.657627      1.311962
  H      -0.481306     -3.292252      3.993630
  H      -2.360746     -2.009220      3.509757
  H      -1.658646     -2.312009      0.547945
  H      -1.369253     -0.862821      1.529540
  H      -3.400873      0.124724      2.816077
  H      -5.817013      0.675352      2.658614
  H      -7.262787     -0.504463      1.004832
  H      -6.256878     -2.201086     -0.520632
  H      -3.838958     -2.742830     -0.358614
  H      -7.569824     -6.858592      7.353332
  H      -8.699473     -6.501239      6.041980
  H      -7.247135     -7.482797      5.716899
  H      -6.012623     -5.372997      6.507725
  H      -6.562151     -3.772010      4.788525
  H      -7.684634     -4.847914      2.780221
  H      -8.370815     -6.051594      3.860677
  H      -9.917813     -4.189655      2.116082
  H     -11.825178     -2.662641      2.535051
  H     -12.140204     -1.644089      4.792329
  H     -10.523335     -2.176421      6.614747
  H      -8.616836     -3.725925      6.185693
  H      -2.356779     -6.868608      8.512175
  H      -3.698313     -6.928618      7.332078
  H      -4.004580     -6.475025      9.032550
  H      -3.949281     -4.504755      7.755502
  H      -2.314155     -3.569567      6.644345
  H      -0.072832     -4.759670      6.312088
  H      -0.513254     -5.815623      7.663583
  H      -0.583273     -4.909828      9.968858
  H       0.105570     -3.103318     11.526700
  H       0.846253     -0.896190     10.633883
  H       0.900198     -0.519509      8.168037
  H       0.218634     -2.331487      6.617328
  N      -4.316725     -2.964418      4.986485
  N      -4.950118     -1.921541      5.493564
  H      -4.697568     -1.647158      6.449343
  H      -5.084270     -1.122691      4.863640
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.911235012247
  N      -2.618487     -3.842395      2.665208
  C      -2.425583     -4.788562      1.571264
  C      -2.133694     -6.166712      2.159116
  N      -3.144761     -6.475720      3.205839
  C      -4.401887     -6.995027      2.617089
  C      -5.556642     -6.748530      3.572167
  N      -5.517320     -5.364756      4.021181
  Mo     -3.680654     -4.502921      4.212307
  N      -2.479403     -5.319417      5.550426
  C      -1.772611     -6.562907      5.239624
  C      -2.614051     -7.369721      4.264287
  H      -1.589696     -7.177722      6.136753
  H      -0.776649     -6.353192      4.799070
  H      -3.479122     -7.782742      4.801748
  H      -2.044928     -8.209688      3.825103
  H      -6.495648     -6.981052      3.036891
  H      -5.502153     -7.468857      4.415382
  H      -4.583221     -6.435858      1.688440
  H      -4.299026     -8.067048      2.364304
  H      -1.595346     -4.502446      0.906212
  H      -3.326473     -4.838433      0.928756
  H      -1.149007     -6.142656      2.648257
  H      -2.121574     -6.961968      1.390732
  C       0.491806     -3.290051      2.164779
  N      -0.454674     -2.687989      3.106358
  C      -1.866840     -2.588079      2.694556
  C      -2.045538     -1.749253      1.410773
  C      -3.497690     -1.367799      1.274894
  C      -4.053704     -0.402764      2.128926
  C      -5.420634     -0.122920      2.103932
  C      -6.260012     -0.805347      1.218068
  C      -5.715680     -1.751261      0.347323
  C      -4.345756     -2.026143      0.376682
  C      -7.631070     -6.598489      6.279790
  N      -6.927677     -5.339087      6.058979
  C      -6.719468     -4.850858      4.678835
  C      -7.978452     -5.009058      3.807244
  C      -9.108935     -4.047269      4.094137
  C      -9.999410     -3.712898      3.060686
  C     -11.061221     -2.834236      3.277084
  C     -11.252202     -2.264258      4.539061
  C     -10.370696     -2.583443      5.573600
  C      -9.309055     -3.466051      5.355329
  C      -3.290783     -6.384181      8.188260
  N      -3.053469     -4.965378      7.939972
  C      -2.157994     -4.642458      6.823557
  C      -0.677052     -4.816576      7.237219
  C      -0.236336     -3.747073      8.198952
  C      -0.269175     -3.946804      9.584967
  C       0.104798     -2.928594     10.464745
  C       0.516397     -1.688592      9.970068
  C       0.553179     -1.475968      8.589230
  C       0.180578     -2.497707      7.714287
  H       0.289226     -4.346540      1.902846
  H       1.498675     -3.245638      2.604714
  H       0.517758     -2.708493      1.232614
  H      -0.447582     -3.245826      3.966711
  H      -2.347711     -2.009310      3.497178
  H      -1.714795     -2.303879      0.520278
  H      -1.410384     -0.854113      1.498102
  H      -3.403049      0.124739      2.831547
  H      -5.834792      0.630917      2.777116
  H      -7.330960     -0.596116      1.204507
  H      -6.361615     -2.284684     -0.352852
  H      -3.927606     -2.778184     -0.296591
  H      -7.575093     -6.841043      7.350836
  H      -8.698081     -6.486106      6.033108
  H      -7.246611     -7.472476      5.718284
  H      -6.009181     -5.365315      6.504940
  H      -6.540835     -3.770674      4.775392
  H      -7.655677     -4.857732      2.765638
  H      -8.361622     -6.042383      3.855255
  H      -9.849441     -4.146483      2.068125
  H     -11.738347     -2.588221      2.456406
  H     -12.079501     -1.573260      4.711458
  H     -10.507511     -2.140300      6.562431
  H      -8.618558     -3.718710      6.163424
  H      -2.357727     -6.876383      8.501907
  H      -3.692358     -6.934624      7.313616
  H      -4.008941     -6.485866      9.013722
  H      -3.949036     -4.510774      7.748320
  H      -2.313217     -3.570724      6.643225
  H      -0.062628     -4.756585      6.325694
  H      -0.514083     -5.813542      7.672851
  H      -0.598108     -4.911429      9.977499
  H       0.073500     -3.104049     11.541936
  H       0.810276     -0.892649     10.656668
  H       0.877980     -0.512327      8.191807
  H       0.213759     -2.325568      6.634449
  N      -4.297172     -2.959519      4.967689
  N      -4.934247     -1.908192      5.452264
  H      -4.676952     -1.609876      6.399541
  H      -5.072887     -1.124908      4.803165
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.911636088251
  N      -2.606729     -3.845109      2.657587
  C      -2.421875     -4.792495      1.563785
  C      -2.126209     -6.169648      2.152201
  N      -3.131289     -6.480653      3.204800
  C      -4.388394     -7.005419      2.621472
  C      -5.541322     -6.755840      3.577225
  N      -5.497919     -5.372237      4.023987
  Mo     -3.667157     -4.503238      4.202775
  N      -2.463616     -5.313846      5.540917
  C      -1.754744     -6.556831      5.236243
  C      -2.592655     -7.369298      4.263119
  H      -1.573157     -7.168573      6.135810
  H      -0.756888     -6.347977      4.798630
  H      -3.455550     -7.786134      4.801471
  H      -2.020539     -8.207200      3.823875
  H      -6.482183     -6.989322      3.045591
  H      -5.484866     -7.474327      4.422159
  H      -4.572550     -6.450314      1.690821
  H      -4.284427     -8.078345      2.372824
  H      -1.594492     -4.507896      0.894230
  H      -3.325795     -4.844454      0.925574
  H      -1.138772     -6.147071      2.635965
  H      -2.117239     -6.963492      1.382133
  C       0.481266     -3.282816      2.114293
  N      -0.449041     -2.661277      3.058452
  C      -1.869230     -2.582272      2.672779
  C      -2.090893     -1.745779      1.392096
  C      -3.555374     -1.394398      1.307637
  C      -4.095044     -0.430389      2.173524
  C      -5.468954     -0.187633      2.212858
  C      -6.332055     -0.909892      1.383021
  C      -5.804773     -1.851933      0.497716
  C      -4.427369     -2.086798      0.459748
  C      -7.629043     -6.591606      6.268084
  N      -6.922679     -5.333050      6.050191
  C      -6.701106     -4.849294      4.669788
  C      -7.955750     -4.998945      3.789766
  C      -9.072170     -4.016586      4.060150
  C      -9.933956     -3.657342      3.010777
  C     -10.981089     -2.757235      3.210207
  C     -11.185836     -2.190237      4.471292
  C     -10.332637     -2.533923      5.521720
  C      -9.285766     -3.437816      5.320245
  C      -3.292920     -6.388154      8.173866
  N      -3.053653     -4.969713      7.928607
  C      -2.153449     -4.641440      6.819130
  C      -0.674946     -4.816059      7.245773
  C      -0.243742     -3.747790      8.212890
  C      -0.290296     -3.949106      9.598273
  C       0.074849     -2.931906     10.483001
  C       0.491139     -1.691305      9.994060
  C       0.541528     -1.476894      8.613829
  C       0.177862     -2.497581      7.734083
  H       0.288586     -4.352349      1.901409
  H       1.500064     -3.204834      2.521279
  H       0.467929     -2.737021      1.160575
  H      -0.419522     -3.189672      3.935958
  H      -2.343005     -2.006104      3.481317
  H      -1.778567     -2.292786      0.490170
  H      -1.469306     -0.840263      1.464555
  H      -3.424174      0.125782      2.833861
  H      -5.870471      0.567179      2.892849
  H      -7.408218     -0.733104      1.422481
  H      -6.469805     -2.414145     -0.160775
  H      -4.021349     -2.836321     -0.223584
  H      -7.577144     -6.834424      7.339238
  H      -8.695041     -6.477745      6.017629
  H      -7.243635     -7.465749      5.707683
  H      -6.005262     -5.361749      6.499098
  H      -6.517182     -3.769923      4.765099
  H      -7.624932     -4.859961      2.748959
  H      -8.354158     -6.026203      3.844067
  H      -9.772324     -4.088638      2.019053
  H     -11.635593     -2.492236      2.377180
  H     -12.001411     -1.482430      4.630734
  H     -10.480248     -2.092989      6.509967
  H      -8.616615     -3.706907      6.140786
  H      -2.360944     -6.882014      8.488275
  H      -3.694099     -6.937233      7.298078
  H      -4.011949     -6.489829      8.998599
  H      -3.947964     -4.511661      7.740819
  H      -2.309980     -3.569400      6.641915
  H      -0.050652     -4.757307      6.341125
  H      -0.518596     -5.813272      7.683325
  H      -0.623087     -4.914192      9.986278
  H       0.032930     -3.108690     11.559614
  H       0.778090     -0.896205     10.684534
  H       0.869983     -0.512540      8.221194
  H       0.220804     -2.324324      6.654837
  N      -4.273821     -2.952362      4.948654
  N      -4.914616     -1.891867      5.407056
  H      -4.655623     -1.568380      6.345499
  H      -5.055434     -1.125002      4.737836
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.911950595792
  N      -2.598976     -3.848709      2.657088
  C      -2.425911     -4.794785      1.560882
  C      -2.124775     -6.171888      2.145648
  N      -3.121612     -6.487119      3.204996
  C      -4.379254     -7.017790      2.629292
  C      -5.529001     -6.767190      3.588397
  N      -5.483117     -5.383961      4.033005
  Mo     -3.657505     -4.508274      4.200164
  N      -2.451669     -5.315792      5.536555
  C      -1.738387     -6.555679      5.232913
  C      -2.572686     -7.372289      4.260650
  H      -1.554948     -7.166355      6.132924
  H      -0.740429     -6.343669      4.796320
  H      -3.432062     -7.795229      4.800145
  H      -1.996984     -8.206359      3.818769
  H      -6.472259     -7.002392      3.061652
  H      -5.468474     -7.484148      4.434633
  H      -4.569026     -6.466577      1.697290
  H      -4.273474     -8.091368      2.383962
  H      -1.604009     -4.510448      0.884424
  H      -3.335416     -4.847069      0.930318
  H      -1.133795     -6.150938      2.622551
  H      -2.120058     -6.962964      1.372571
  C       0.465922     -3.283858      2.071155
  N      -0.444857     -2.642195      3.020957
  C      -1.871984     -2.579902      2.659297
  C      -2.125530     -1.746218      1.380108
  C      -3.595269     -1.408027      1.329521
  C      -4.115038     -0.423761      2.184594
  C      -5.489235     -0.192053      2.263370
  C      -6.372383     -0.947852      1.486178
  C      -5.865483     -1.908397      0.608842
  C      -4.487398     -2.129519      0.528288
  C      -7.630262     -6.590305      6.263644
  N      -6.921138     -5.332561      6.048310
  C      -6.687373     -4.853244      4.668133
  C      -7.938227     -4.996880      3.781297
  C      -9.042982     -3.998329      4.038398
  C      -9.879582     -3.617551      2.976329
  C     -10.914489     -2.700622      3.162756
  C     -11.132254     -2.138432      4.423773
  C     -10.304433     -2.504098      5.487147
  C      -9.269895     -3.424740      5.298550
  C      -3.285556     -6.407272      8.162204
  N      -3.052110     -4.987204      7.923589
  C      -2.151220     -4.647718      6.819363
  C      -0.673163     -4.815432      7.253839
  C      -0.253250     -3.745934      8.224363
  C      -0.305909     -3.948809      9.609279
  C       0.048615     -2.930267     10.496914
  C       0.460158     -1.686791     10.011432
  C       0.516564     -1.470673      8.631616
  C       0.163614     -2.492606      7.749112
  H       0.279952     -4.362034      1.901082
  H       1.495491     -3.180096      2.444018
  H       0.416104     -2.770132      1.101050
  H      -0.395782     -3.141787      3.915564
  H      -2.338173     -2.005496      3.473355
  H      -1.829751     -2.291399      0.471421
  H      -1.509552     -0.836156      1.438650
  H      -3.426927      0.157646      2.804247
  H      -5.875542      0.580334      2.932451
  H      -7.448453     -0.781023      1.558166
  H      -6.546759     -2.494979     -0.010614
  H      -4.095955     -2.892736     -0.148405
  H      -7.583235     -6.832714      7.335091
  H      -8.695063     -6.475440      6.008548
  H      -7.243203     -7.464881      5.705235
  H      -6.005413     -5.363696      6.500026
  H      -6.499186     -3.774521      4.762252
  H      -7.601158     -4.868491      2.741059
  H      -8.348769     -6.019084      3.841464
  H      -9.707515     -4.045677      1.984982
  H     -11.549045     -2.418903      2.319839
  H     -11.938105     -1.417456      4.573280
  H     -10.462443     -2.067038      6.475500
  H      -8.619509     -3.708905      6.129142
  H      -2.352231     -6.898250      8.477322
  H      -3.682057     -6.954853      7.283250
  H      -4.006103     -6.514915      8.984880
  H      -3.947949     -4.530575      7.740666
  H      -2.314486     -3.575920      6.646992
  H      -0.042856     -4.753808      6.353641
  H      -0.516128     -5.812178      7.692241
  H      -0.635162     -4.916160      9.994579
  H       0.002098     -3.108325     11.573133
  H       0.738804     -0.890709     10.704169
  H       0.841376     -0.503904      8.241896
  H       0.210957     -2.318315      6.670259
  N      -4.257085     -2.952477      4.939910
  N      -4.901581     -1.885446      5.376971
  H      -4.635102     -1.535988      6.303908
  H      -5.056364     -1.137031      4.689540
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.912235551422
  N      -2.596907     -3.857946      2.662464
  C      -2.424736     -4.801615      1.563532
  C      -2.122386     -6.179299      2.146194
  N      -3.116405     -6.498028      3.207853
  C      -4.372793     -7.031025      2.631193
  C      -5.524464     -6.780608      3.587588
  N      -5.472780     -5.400108      4.040253
  Mo     -3.655062     -4.518313      4.201673
  N      -2.444014     -5.318258      5.536364
  C      -1.732434     -6.559895      5.237693
  C      -2.562514     -7.379321      4.263846
  H      -1.555053     -7.171550      6.138585
  H      -0.729569     -6.352622      4.808911
  H      -3.421664     -7.805981      4.801316
  H      -1.983761     -8.211692      3.822625
  H      -6.468079     -7.011333      3.059571
  H      -5.466654     -7.501551      4.430731
  H      -4.560442     -6.479047      1.699125
  H      -4.266235     -8.104338      2.384913
  H      -1.600901     -4.516127      0.889864
  H      -3.332573     -4.854455      0.930753
  H      -1.129416     -6.164095      2.619216
  H      -2.120235     -6.966117      1.368492
  C       0.459611     -3.255607      2.052197
  N      -0.454019     -2.620616      3.000666
  C      -1.886073     -2.579139      2.654024
  C      -2.160632     -1.751066      1.371470
  C      -3.632734     -1.417422      1.339999
  C      -4.129321     -0.387643      2.153992
  C      -5.500983     -0.149102      2.256898
  C      -6.404565     -0.947242      1.548613
  C      -5.921127     -1.952499      0.709140
  C      -4.545320     -2.176516      0.599010
  C      -7.630714     -6.609827      6.251184
  N      -6.924835     -5.348355      6.045821
  C      -6.678653     -4.865506      4.667660
  C      -7.926557     -4.999256      3.774199
  C      -9.019084     -3.985805      4.024052
  C      -9.837629     -3.588279      2.954025
  C     -10.859847     -2.655462      3.130937
  C     -11.083365     -2.093975      4.391232
  C     -10.274350     -2.477169      5.462883
  C      -9.252690     -3.413871      5.283495
  C      -3.277956     -6.425255      8.162576
  N      -3.048223     -5.005624      7.924319
  C      -2.150215     -4.656823      6.823918
  C      -0.670885     -4.820225      7.261561
  C      -0.256644     -3.748284      8.231295
  C      -0.318217     -3.947730      9.616490
  C       0.030660     -2.927090     10.503939
  C       0.445204     -1.684777     10.018272
  C       0.510152     -1.471829      8.638290
  C       0.163022     -2.495786      7.756032
  H       0.299032     -4.341493      1.902740
  H       1.492149     -3.120291      2.406955
  H       0.381970     -2.757408      1.075955
  H      -0.391902     -3.097470      3.903743
  H      -2.349008     -2.005922      3.470585
  H      -1.874972     -2.296492      0.459639
  H      -1.548141     -0.838617      1.420393
  H      -3.423449      0.225800      2.720586
  H      -5.869776      0.661572      2.889637
  H      -7.478417     -0.776782      1.641687
  H      -6.619197     -2.569976      0.140546
  H      -4.171126     -2.971696     -0.049862
  H      -7.585707     -6.858538      7.321221
  H      -8.695210     -6.496623      5.994046
  H      -7.239611     -7.479503      5.688508
  H      -6.009679     -5.378737      6.500668
  H      -6.488321     -3.787708      4.767651
  H      -7.586494     -4.876226      2.734147
  H      -8.349360     -6.016270      3.836412
  H      -9.661482     -4.017169      1.963725
  H     -11.479942     -2.361220      2.281612
  H     -11.879045     -1.360514      4.533880
  H     -10.437407     -2.041290      6.450890
  H      -8.617236     -3.709245      6.121499
  H      -2.341761     -6.915715      8.470077
  H      -3.680986     -6.973677      7.286804
  H      -3.991220     -6.534298      8.991460
  H      -3.945100     -4.547684      7.752635
  H      -2.319528     -3.585066      6.656726
  H      -0.037343     -4.760981      6.363642
  H      -0.515540     -5.815811      7.703394
  H      -0.649925     -4.914182     10.001672
  H      -0.022522     -3.102590     11.580248
  H       0.719425     -0.887136     10.710916
  H       0.836986     -0.505656      8.248864
  H       0.215448     -2.323956      6.677078
  N      -4.240184     -2.957469      4.941167
  N      -4.889504     -1.884941      5.355152
  H      -4.618279     -1.508210      6.269702
  H      -5.062400     -1.155469      4.650933
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.912589930957
  N      -2.591022     -3.867148      2.664830
  C      -2.432124     -4.811094      1.564933
  C      -2.123114     -6.188474      2.143560
  N      -3.109155     -6.512016      3.210697
  C      -4.366296     -7.052829      2.644522
  C      -5.513429     -6.802259      3.607061
  N      -5.464897     -5.420089      4.052170
  Mo     -3.649188     -4.532783      4.203691
  N      -2.438793     -5.331799      5.537699
  C      -1.717213     -6.566183      5.235040
  C      -2.544278     -7.390822      4.263384
  H      -1.530388     -7.175281      6.135614
  H      -0.719214     -6.348852      4.800510
  H      -3.397588     -7.825217      4.804009
  H      -1.960868     -8.217730      3.818253
  H      -6.459304     -7.038976      3.085781
  H      -5.448324     -7.518374      4.453917
  H      -4.563384     -6.507545      1.710325
  H      -4.256270     -8.127074      2.403937
  H      -1.617146     -4.526629      0.880226
  H      -3.348053     -4.865717      0.943921
  H      -1.127595     -6.170613      2.611291
  H      -2.123503     -6.974375      1.365035
  C       0.441701     -3.289611      2.019632
  N      -0.448640     -2.623120      2.970074
  C      -1.885118     -2.586655      2.645425
  C      -2.179702     -1.752593      1.370900
  C      -3.644842     -1.393452      1.368982
  C      -4.101926     -0.341638      2.177453
  C      -5.466399     -0.080714      2.316073
  C      -6.401732     -0.875725      1.646617
  C      -5.958160     -1.904321      0.813218
  C      -4.589955     -2.153607      0.670247
  C      -7.639088     -6.608499      6.257885
  N      -6.929198     -5.349854      6.047878
  C      -6.673738     -4.878443      4.667851
  C      -7.917254     -5.018386      3.768660
  C      -9.006004     -3.996324      3.999982
  C      -9.807251     -3.595123      2.918451
  C     -10.825406     -2.655036      3.080380
  C     -11.062032     -2.090132      4.336733
  C     -10.270510     -2.477432      5.420028
  C      -9.253172     -3.421526      5.255755
  C      -3.275349     -6.444233      8.154506
  N      -3.049289     -5.022329      7.924605
  C      -2.151228     -4.667326      6.825211
  C      -0.671596     -4.819336      7.264467
  C      -0.265500     -3.739449      8.228927
  C      -0.320629     -3.932696      9.615118
  C       0.020747     -2.904042     10.496410
  C       0.421295     -1.660057     10.003281
  C       0.479845     -1.453287      8.622008
  C       0.140073     -2.485057      7.746088
  H       0.278053     -4.378996      1.910006
  H       1.482337     -3.141926      2.344129
  H       0.339579     -2.824276      1.029544
  H      -0.371906     -3.072284      3.887886
  H      -2.338410     -2.015649      3.469154
  H      -1.920308     -2.300933      0.453030
  H      -1.553879     -0.848689      1.407491
  H      -3.370958      0.266517      2.716981
  H      -5.804117      0.745526      2.945656
  H      -7.469671     -0.686121      1.766437
  H      -6.681728     -2.521753      0.277228
  H      -4.246906     -2.969485      0.030044
  H      -7.600841     -6.849977      7.329852
  H      -8.701834     -6.495094      5.993784
  H      -7.246054     -7.482704      5.703374
  H      -6.016894     -5.382123      6.506613
  H      -6.481849     -3.800297      4.760959
  H      -7.571047     -4.911879      2.728867
  H      -8.345334     -6.032310      3.843784
  H      -9.621414     -4.027512      1.931414
  H     -11.431904     -2.357738      2.222304
  H     -11.854368     -1.350770      4.467464
  H     -10.444033     -2.038983      6.405153
  H      -8.629666     -3.719468      6.102044
  H      -2.340178     -6.932515      8.468799
  H      -3.667589     -6.989490      7.272008
  H      -3.996621     -6.559679      8.975512
  H      -3.947407     -4.566345      7.753000
  H      -2.327359     -3.596980      6.656945
  H      -0.037763     -4.758665      6.366554
  H      -0.509568     -5.811861      7.710667
  H      -0.641387     -4.900542     10.006252
  H      -0.027295     -3.074679     11.573772
  H       0.689772     -0.856215     10.691055
  H       0.796107     -0.485948      8.226673
  H       0.188808     -2.318588      6.666052
  N      -4.233932     -2.967994      4.935778
  N      -4.887519     -1.889309      5.328821
  H      -4.609439     -1.489212      6.231138
  H      -5.074110     -1.178931      4.608795
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.912940049316
  N      -2.589566     -3.873551      2.678197
  C      -2.406493     -4.818532      1.583658
  C      -2.104102     -6.197313      2.162380
  N      -3.102223     -6.526921      3.215086
  C      -4.357488     -7.062909      2.640270
  C      -5.509970     -6.820171      3.602151
  N      -5.467615     -5.441463      4.062067
  Mo     -3.649202     -4.555697      4.216568
  N      -2.437026     -5.355439      5.545935
  C      -1.716512     -6.590292      5.239847
  C      -2.545949     -7.412473      4.267522
  H      -1.528009     -7.195857      6.141894
  H      -0.722421     -6.373212      4.799635
  H      -3.398612     -7.848071      4.807735
  H      -1.961599     -8.237758      3.820962
  H      -6.452809     -7.050513      3.073408
  H      -5.450371     -7.542914      4.443210
  H      -4.552162     -6.513568      1.707975
  H      -4.245680     -8.135591      2.394815
  H      -1.582588     -4.532049      0.910496
  H      -3.312606     -4.878984      0.949160
  H      -1.115205     -6.175869      2.642819
  H      -2.094811     -6.982976      1.384234
  C       0.426395     -3.269173      2.035979
  N      -0.475905     -2.607268      2.978078
  C      -1.909253     -2.582318      2.656414
  C      -2.210749     -1.745212      1.392048
  C      -3.668042     -1.373812      1.390109
  C      -4.119224     -0.322722      2.202511
  C      -5.484070     -0.072473      2.363953
  C      -6.424883     -0.867963      1.701654
  C      -5.987872     -1.903504      0.873358
  C      -4.622218     -2.154882      0.723753
  C      -7.660404     -6.633887      6.248387
  N      -6.943359     -5.377513      6.050589
  C      -6.679392     -4.899191      4.675369
  C      -7.915236     -5.025003      3.763711
  C      -8.991382     -3.984537      3.977855
  C      -9.770045     -3.567832      2.885944
  C     -10.772876     -2.609306      3.036240
  C     -11.014968     -2.040588      4.289984
  C     -10.243803     -2.441387      5.382993
  C      -9.241579     -3.403480      5.230462
  C      -3.278793     -6.463828      8.151300
  N      -3.050827     -5.039104      7.932784
  C      -2.150739     -4.684090      6.830729
  C      -0.670232     -4.826496      7.260594
  C      -0.261731     -3.732524      8.208473
  C      -0.300801     -3.907397      9.597365
  C       0.042730     -2.864339     10.460836
  C       0.429881     -1.624595      9.946356
  C       0.472386     -1.436369      8.561828
  C       0.129819     -2.482294      7.703880
  H       0.276275     -4.359746      1.927222
  H       1.462019     -3.108133      2.368927
  H       0.330026     -2.811481      1.041198
  H      -0.387449     -3.056390      3.897836
  H      -2.372284     -2.019751      3.480659
  H      -1.948276     -2.292711      0.474641
  H      -1.584886     -0.841053      1.433777
  H      -3.386145      0.280622      2.743714
  H      -5.814926      0.746524      3.005272
  H      -7.492182     -0.683064      1.834590
  H      -6.715989     -2.532351      0.356483
  H      -4.287984     -2.984971      0.097974
  H      -7.627294     -6.883786      7.318676
  H      -8.721558     -6.512672      5.981569
  H      -7.269822     -7.506329      5.688408
  H      -6.035403     -5.419838      6.514720
  H      -6.478340     -3.823602      4.779879
  H      -7.554478     -4.933621      2.728031
  H      -8.360167     -6.031106      3.842054
  H      -9.578430     -4.001230      1.900267
  H     -11.362197     -2.299608      2.170534
  H     -11.795020     -1.286434      4.411045
  H     -10.421228     -1.999991      6.366221
  H      -8.633711     -3.714846      6.083501
  H      -2.346291     -6.955675      8.468487
  H      -3.663387     -7.000688      7.260734
  H      -4.007754     -6.586852      8.964242
  H      -3.948345     -4.581893      7.756693
  H      -2.329462     -3.615617      6.655578
  H      -0.045881     -4.769851      6.355188
  H      -0.498020     -5.813346      7.715227
  H      -0.610550     -4.872237     10.005157
  H       0.007098     -3.020472     11.540944
  H       0.700513     -0.809513     10.620076
  H       0.778608     -0.472820      8.149403
  H       0.167756     -2.330727      6.620957
  N      -4.228152     -2.990467      4.960232
  N      -4.892396     -1.906497      5.330295
  H      -4.616106     -1.490834      6.225558
  H      -5.077823     -1.207493      4.598744
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.913596554783
  N      -2.590589     -3.876850      2.680925
  C      -2.415062     -4.820768      1.583582
  C      -2.103443     -6.198738      2.160475
  N      -3.094853     -6.533598      3.218131
  C      -4.349297     -7.075538      2.646617
  C      -5.501685     -6.835245      3.608477
  N      -5.459045     -5.457063      4.070769
  Mo     -3.647255     -4.563570      4.219134
  N      -2.431432     -5.356475      5.547706
  C      -1.703809     -6.586606      5.239980
  C      -2.529831     -7.414700      4.269416
  H      -1.510276     -7.191620      6.141397
  H      -0.710822     -6.364130      4.798996
  H      -3.378744     -7.856096      4.810865
  H      -1.940731     -8.236295      3.822009
  H      -6.444858     -7.065875      3.080200
  H      -5.440528     -7.558693      4.448710
  H      -4.546506     -6.527967      1.713847
  H      -4.234438     -8.148225      2.402176
  H      -1.597516     -4.532631      0.903707
  H      -3.325959     -4.884996      0.955597
  H      -1.111783     -6.174808      2.635150
  H      -2.095226     -6.982886      1.380698
  C       0.412637     -3.251067      2.007764
  N      -0.485064     -2.585194      2.949209
  C      -1.923798     -2.579213      2.647844
  C      -2.253629     -1.749756      1.384163
  C      -3.714183     -1.390129      1.414560
  C      -4.149563     -0.309626      2.196504
  C      -5.511457     -0.064017      2.391997
  C      -6.465266     -0.898867      1.800281
  C      -6.044613     -1.963828      1.001309
  C      -4.682117     -2.205968      0.812376
  C      -7.666028     -6.651529      6.234772
  N      -6.951566     -5.391786      6.047147
  C      -6.673205     -4.911436      4.674223
  C      -7.901288     -5.026235      3.750801
  C      -8.960892     -3.966982      3.950916
  C      -9.708306     -3.525518      2.847077
  C     -10.693571     -2.547037      2.985006
  C     -10.948861     -1.983150      4.238282
  C     -10.208481     -2.408761      5.343233
  C      -9.223911     -3.390605      5.202917
  C      -3.273727     -6.471312      8.154123
  N      -3.047588     -5.046917      7.935287
  C      -2.149134     -4.687698      6.834681
  C      -0.668163     -4.828194      7.266100
  C      -0.262447     -3.734382      8.215299
  C      -0.307590     -3.909415      9.604072
  C       0.032344     -2.866606     10.469224
  C       0.421824     -1.626830      9.956756
  C       0.470240     -1.438280      8.572450
  C       0.131386     -2.483989      7.712810
  H       0.281566     -4.347043      1.925768
  H       1.451232     -3.064019      2.318020
  H       0.290169     -2.816727      1.005310
  H      -0.381601     -3.010871      3.874852
  H      -2.379712     -2.019402      3.477734
  H      -2.006766     -2.300969      0.464270
  H      -1.632665     -0.841838      1.409811
  H      -3.405086      0.325329      2.683706
  H      -5.829381      0.780890      3.006143
  H      -7.529605     -0.719816      1.962269
  H      -6.782984     -2.621321      0.537512
  H      -4.360479     -3.057359      0.208935
  H      -7.641120     -6.904700      7.304462
  H      -8.725334     -6.533387      5.959322
  H      -7.267513     -7.520573      5.675388
  H      -6.046333     -5.432828      6.520017
  H      -6.468013     -3.837285      4.783956
  H      -7.530485     -4.944735      2.717869
  H      -8.362427     -6.024999      3.830063
  H      -9.505602     -3.954935      1.861910
  H     -11.258561     -2.218133      2.110236
  H     -11.715075     -1.213601      4.349936
  H     -10.396214     -1.971186      6.326196
  H      -8.639205     -3.720094      6.065252
  H      -2.340446     -6.962127      8.470653
  H      -3.658695     -7.009296      7.264304
  H      -4.001692     -6.594757      8.967960
  H      -3.945360     -4.589670      7.762715
  H      -2.331737     -3.619635      6.661265
  H      -0.042679     -4.771252      6.361820
  H      -0.496169     -5.814994      7.721226
  H      -0.619555     -4.874191     10.010070
  H      -0.007954     -3.022961     11.549113
  H       0.689565     -0.811955     10.631820
  H       0.778019     -0.474541      8.161730
  H       0.173283     -2.331982      6.630199
  N      -4.219044     -2.994315      4.961857
  N      -4.888445     -1.902347      5.293939
  H      -4.612402     -1.453071      6.172390
  H      -5.085628     -1.231366      4.538525
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.914652033383
  N      -2.605712     -3.878349      2.677493
  C      -2.430216     -4.823225      1.578659
  C      -2.098494     -6.195837      2.159865
  N      -3.082660     -6.533955      3.223432
  C      -4.336927     -7.080982      2.652052
  C      -5.492046     -6.847677      3.611679
  N      -5.451024     -5.469644      4.081813
  Mo     -3.647604     -4.568595      4.226119
  N      -2.422496     -5.346019      5.555106
  C      -1.686732     -6.571827      5.242926
  C      -2.511411     -7.408083      4.276485
  H      -1.485079     -7.177299      6.142453
  H      -0.695704     -6.342820      4.798514
  H      -3.357623     -7.851064      4.820515
  H      -1.917948     -8.228986      3.832438
  H      -6.433679     -7.076443      3.078692
  H      -5.431568     -7.574744      4.448082
  H      -4.533471     -6.531260      1.720728
  H      -4.219069     -8.152939      2.404536
  H      -1.623194     -4.529178      0.889549
  H      -3.345596     -4.899303      0.957173
  H      -1.104065     -6.158583      2.627998
  H      -2.086338     -6.983314      1.383327
  C       0.396334     -3.187549      1.968253
  N      -0.511265     -2.546900      2.913250
  C      -1.957447     -2.571656      2.631556
  C      -2.326808     -1.766099      1.358673
  C      -3.798814     -1.440409      1.424231
  C      -4.242963     -0.325020      2.150865
  C      -5.606846     -0.097481      2.363827
  C      -6.554087     -0.994572      1.859152
  C      -6.125773     -2.091815      1.109138
  C      -4.763024     -2.304862      0.887275
  C      -7.664995     -6.689391      6.211111
  N      -6.959166     -5.420957      6.048352
  C      -6.665705     -4.926278      4.682734
  C      -7.881831     -5.016481      3.742655
  C      -8.909653     -3.926638      3.929555
  C      -9.609933     -3.441477      2.813680
  C     -10.558991     -2.426274      2.941101
  C     -10.824436     -1.870624      4.195778
  C     -10.130989     -2.341266      5.313018
  C      -9.182297     -3.358875      5.182957
  C      -3.263220     -6.466305      8.163141
  N      -3.039283     -5.043065      7.941589
  C      -2.140191     -4.681973      6.844842
  C      -0.659711     -4.827285      7.279448
  C      -0.254865     -3.745524      8.242957
  C      -0.317196     -3.936703      9.629349
  C       0.019051     -2.906897     10.510858
  C       0.421814     -1.663487     10.018068
  C       0.487370     -1.458705      8.636977
  C       0.152456     -2.491925      7.760536
  H       0.296792     -4.289165      1.888039
  H       1.432862     -2.972793      2.269646
  H       0.254919     -2.758109      0.965986
  H      -0.391449     -2.965630      3.834348
  H      -2.403987     -2.016028      3.468659
  H      -2.091409     -2.332331      0.444487
  H      -1.721135     -0.847851      1.352695
  H      -3.504581      0.366307      2.566836
  H      -5.929900      0.779828      2.929465
  H      -7.618387     -0.835110      2.041790
  H      -6.858895     -2.791506      0.703318
  H      -4.438110     -3.173133      0.310359
  H      -7.655442     -6.953873      7.278194
  H      -8.720679     -6.578200      5.919197
  H      -7.249867     -7.548373      5.649294
  H      -6.058956     -5.455341      6.538852
  H      -6.454327     -3.855225      4.807063
  H      -7.492907     -4.942226      2.715763
  H      -8.370448     -6.003212      3.811887
  H      -9.396823     -3.862610      1.827395
  H     -11.087499     -2.062697      2.057395
  H     -11.562722     -1.073467      4.299576
  H     -10.326164     -1.909890      6.297066
  H      -8.631687     -3.721848      6.054123
  H      -2.329220     -6.954175      8.481432
  H      -3.646821     -7.008214      7.274756
  H      -3.991360     -6.589209      8.977021
  H      -3.936562     -4.588598      7.762560
  H      -2.325389     -3.613608      6.674527
  H      -0.032801     -4.763085      6.377591
  H      -0.489162     -5.818572      7.725804
  H      -0.640606     -4.903938     10.019397
  H      -0.034918     -3.076061     11.588118
  H       0.686131     -0.858549     10.706064
  H       0.804746     -0.491858      8.241540
  H       0.206084     -2.325724      6.680866
  N      -4.211914     -2.998151      4.980611
  N      -4.895398     -1.900421      5.246922
  H      -4.642623     -1.408428      6.108477
  H      -5.088096     -1.268067      4.456597
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915585926700
  N      -2.611886     -3.884249      2.675326
  C      -2.437250     -4.831308      1.577066
  C      -2.092935     -6.199782      2.162112
  N      -3.072089     -6.538187      3.229822
  C      -4.326885     -7.089189      2.661034
  C      -5.482627     -6.858456      3.620633
  N      -5.443559     -5.480001      4.094914
  Mo     -3.644532     -4.575184      4.233683
  N      -2.414892     -5.341148      5.564776
  C      -1.673776     -6.564117      5.249051
  C      -2.496829     -7.406636      4.285328
  H      -1.466262     -7.169124      6.147530
  H      -0.685015     -6.330619      4.801762
  H      -3.341012     -7.850686      4.831513
  H      -1.899847     -8.227031      3.844663
  H      -6.423712     -7.086341      3.086081
  H      -5.421857     -7.586557      4.455501
  H      -4.524673     -6.540615      1.729541
  H      -4.207226     -8.161103      2.414021
  H      -1.638097     -4.534366      0.880399
  H      -3.356162     -4.916385      0.961626
  H      -1.096942     -6.153246      2.625885
  H      -2.078670     -6.990565      1.388994
  C       0.378737     -3.154809      1.923150
  N      -0.527349     -2.522416      2.872604
  C      -1.978976     -2.570883      2.614030
  C      -2.377656     -1.781288      1.338176
  C      -3.847411     -1.451484      1.434287
  C      -4.271458     -0.295944      2.107759
  C      -5.629679     -0.052124      2.342155
  C      -6.591083     -0.976212      1.920430
  C      -6.183248     -2.115298      1.223111
  C      -4.827732     -2.341431      0.972937
  C      -7.663800     -6.717558      6.198467
  N      -6.968447     -5.441349      6.050666
  C      -6.662600     -4.939503      4.690094
  C      -7.870391     -5.023290      3.737566
  C      -8.884879     -3.918814      3.908248
  C      -9.556966     -3.417724      2.782392
  C     -10.492141     -2.388131      2.897790
  C     -10.770875     -1.833870      4.150067
  C     -10.105585     -2.320899      5.277431
  C      -9.171673     -3.353340      5.159449
  C      -3.262742     -6.461908      8.173754
  N      -3.036464     -5.039574      7.950442
  C      -2.133785     -4.679942      6.856462
  C      -0.654732     -4.830972      7.293156
  C      -0.248368     -3.756645      8.264362
  C      -0.322353     -3.955877      9.649331
  C       0.014733     -2.934281     10.539704
  C       0.429930     -1.690665     10.057751
  C       0.506992     -1.477823      8.678631
  C       0.171287     -2.503185      7.793092
  H       0.302595     -4.259795      1.855308
  H       1.415431     -2.916046      2.206190
  H       0.214397     -2.739681      0.918093
  H      -0.391856     -2.925967      3.794988
  H      -2.413704     -2.017279      3.458323
  H      -2.163591     -2.364199      0.429166
  H      -1.770876     -0.864543      1.303270
  H      -3.523295      0.420529      2.458967
  H      -5.935682      0.859051      2.862210
  H      -7.649679     -0.806472      2.124719
  H      -6.927643     -2.836467      0.880604
  H      -4.521661     -3.239840      0.433104
  H      -7.667202     -6.986315      7.264483
  H      -8.716132     -6.615721      5.891666
  H      -7.232365     -7.569975      5.639369
  H      -6.074753     -5.468007      6.556204
  H      -6.451882     -3.869662      4.823172
  H      -7.469778     -4.960473      2.714388
  H      -8.371807     -6.003385      3.807668
  H      -9.332969     -3.837388      1.797933
  H     -10.999009     -2.012166      2.006637
  H     -11.498142     -1.025573      4.244561
  H     -10.311536     -1.891004      6.259875
  H      -8.642366     -3.729143      6.038226
  H      -2.330140     -6.950300      8.495298
  H      -3.644748     -7.005340      7.285546
  H      -3.993210     -6.582912      8.985889
  H      -3.932100     -4.584291      7.765610
  H      -2.317569     -3.611198      6.686447
  H      -0.026914     -4.763848      6.392325
  H      -0.486739     -5.824914      7.734783
  H      -0.655727     -4.923155     10.030555
  H      -0.048306     -3.109905     11.615412
  H       0.694746     -0.891998     10.752767
  H       0.833726     -0.510788      8.291469
  H       0.233565     -2.329807      6.715143
  N      -4.201718     -3.001678      4.995419
  N      -4.891188     -1.892808      5.190328
  H      -4.656955     -1.354556      6.028372
  H      -5.087604     -1.306605      4.365029
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916832016038
  N      -2.620445     -3.887438      2.671268
  C      -2.443269     -4.836443      1.573894
  C      -2.086380     -6.199584      2.163528
  N      -3.060288     -6.532660      3.236328
  C      -4.319115     -7.084714      2.673798
  C      -5.472399     -6.856219      3.639182
  N      -5.438214     -5.475447      4.115956
  Mo     -3.638103     -4.573288      4.250482
  N      -2.405805     -5.330742      5.586416
  C      -1.662234     -6.552839      5.259746
  C      -2.484798     -7.397757      4.295152
  H      -1.449093     -7.161297      6.154374
  H      -0.677002     -6.313968      4.808809
  H      -3.328547     -7.840048      4.843184
  H      -1.885942     -8.219328      3.859023
  H      -6.413588     -7.084549      3.105268
  H      -5.408702     -7.583991      4.473094
  H      -4.520800     -6.537167      1.742937
  H      -4.200267     -8.156613      2.426786
  H      -1.653681     -4.534332      0.868852
  H      -3.365654     -4.930198      0.965557
  H      -1.089123     -6.140020      2.622538
  H      -2.070210     -6.997149      1.397622
  C       0.368118     -3.122703      1.876415
  N      -0.538833     -2.502089      2.832109
  C      -1.995309     -2.569870      2.593261
  C      -2.408842     -1.803392      1.305461
  C      -3.871255     -1.444901      1.398129
  C      -4.270958     -0.240467      1.995108
  C      -5.624228      0.052912      2.198857
  C      -6.607032     -0.869417      1.828648
  C      -6.222380     -2.060982      1.209985
  C      -4.871897     -2.336073      0.985814
  C      -7.648547     -6.738008      6.209897
  N      -6.969924     -5.451983      6.070633
  C      -6.663195     -4.944229      4.715478
  C      -7.870773     -5.037755      3.759776
  C      -8.889583     -3.934898      3.919174
  C      -9.559324     -3.439142      2.789925
  C     -10.499445     -2.413280      2.899934
  C     -10.784437     -1.857034      4.149645
  C     -10.121895     -2.339122      5.280726
  C      -9.184603     -3.368830      5.168392
  C      -3.260407     -6.458696      8.189503
  N      -3.031637     -5.035529      7.971351
  C      -2.121478     -4.676365      6.881529
  C      -0.645565     -4.839056      7.318810
  C      -0.234350     -3.782421      8.307406
  C      -0.316927     -4.005333      9.688730
  C       0.025277     -3.003395     10.598632
  C       0.454265     -1.755128     10.140780
  C       0.539772     -1.518853      8.766363
  C       0.198888     -2.525319      7.860835
  H       0.310705     -4.228805      1.809103
  H       1.403743     -2.868165      2.149294
  H       0.189251     -2.713289      0.871164
  H      -0.390242     -2.904259      3.755831
  H      -2.415042     -2.014823      3.443849
  H      -2.210380     -2.417321      0.414011
  H      -1.791474     -0.895898      1.233866
  H      -3.510908      0.482937      2.303211
  H      -5.908350      1.003626      2.656495
  H      -7.661972     -0.662402      2.014124
  H      -6.982587     -2.783225      0.907522
  H      -4.589339     -3.271160      0.498091
  H      -7.663488     -7.006477      7.275895
  H      -8.697587     -6.651337      5.888231
  H      -7.197759     -7.584486      5.657567
  H      -6.085326     -5.464390      6.590239
  H      -6.460607     -3.873902      4.854520
  H      -7.466066     -4.985558      2.737636
  H      -8.369747     -6.018031      3.837261
  H      -9.331595     -3.860247      1.806999
  H     -11.005209     -2.041648      2.006360
  H     -11.515436     -1.051626      4.239751
  H     -10.333462     -1.908203      6.261506
  H      -8.657757     -3.742412      6.049438
  H      -2.329905     -6.948302      8.515070
  H      -3.637426     -6.999539      7.297606
  H      -3.995916     -6.582503      8.996642
  H      -3.924902     -4.579739      7.774136
  H      -2.300197     -3.605830      6.715405
  H      -0.017681     -4.761823      6.418649
  H      -0.479507     -5.839219      7.746760
  H      -0.661013     -4.976147     10.050931
  H      -0.044511     -3.197751     11.670675
  H       0.722909     -0.971465     10.851196
  H       0.876934     -0.548333      8.397352
  H       0.268201     -2.332199      6.786787
  N      -4.190935     -2.999328      5.029040
  N      -4.885333     -1.878066      5.125140
  H      -4.688151     -1.287871      5.936031
  H      -5.071602     -1.349397      4.259785
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918044409996
  N      -2.616504     -3.898646      2.658874
  C      -2.430403     -4.852198      1.566945
  C      -2.070657     -6.212429      2.163061
  N      -3.043638     -6.541920      3.237054
  C      -4.304557     -7.096044      2.680630
  C      -5.456024     -6.863055      3.649941
  N      -5.423831     -5.480360      4.125384
  Mo     -3.624604     -4.578673      4.250319
  N      -2.392919     -5.327823      5.592334
  C      -1.650180     -6.551852      5.266431
  C      -2.468508     -7.400932      4.301256
  H      -1.439601     -7.159396      6.162118
  H      -0.664533     -6.313709      4.818143
  H      -3.312562     -7.842683      4.849620
  H      -1.867045     -8.223194      3.870809
  H      -6.398094     -7.092989      3.119699
  H      -5.390105     -7.587749      4.486019
  H      -4.509686     -6.553459      1.747504
  H      -4.186477     -8.168834      2.438494
  H      -1.639932     -4.547720      0.863656
  H      -3.349945     -4.953387      0.956784
  H      -1.074077     -6.147114      2.622216
  H      -2.051986     -7.014080      1.401674
  C       0.347969     -3.112730      1.813934
  N      -0.551155     -2.484411      2.772913
  C      -2.010158     -2.573032      2.561902
  C      -2.454933     -1.818454      1.278203
  C      -3.908845     -1.445682      1.395538
  C      -4.277959     -0.213747      1.954527
  C      -5.620236      0.101522      2.190044
  C      -6.623597     -0.822132      1.886102
  C      -6.269746     -2.044801      1.310852
  C      -4.930106     -2.345843      1.059902
  C      -7.636480     -6.748449      6.212969
  N      -6.966344     -5.458049      6.073192
  C      -6.653392     -4.948909      4.721650
  C      -7.860925     -5.039223      3.762145
  C      -8.875124     -3.929661      3.912426
  C      -9.528407     -3.425007      2.777589
  C     -10.463642     -2.393847      2.880430
  C     -10.760786     -1.841238      4.128837
  C     -10.114834     -2.331873      5.265837
  C      -9.182176     -3.366400      5.160458
  C      -3.260990     -6.466418      8.182613
  N      -3.035637     -5.041164      7.972588
  C      -2.116476     -4.676336      6.890623
  C      -0.643979     -4.837112      7.336131
  C      -0.242783     -3.787195      8.335765
  C      -0.334196     -4.022500      9.714578
  C       0.000583     -3.028502     10.635684
  C       0.431021     -1.775467     10.191802
  C       0.524982     -1.526873      8.820256
  C       0.191222     -2.525712      7.903567
  H       0.308481     -4.219872      1.774179
  H       1.384076     -2.833812      2.058229
  H       0.140064     -2.731301      0.803241
  H      -0.380029     -2.869148      3.703869
  H      -2.419944     -2.017629      3.417129
  H      -2.279679     -2.445205      0.391415
  H      -1.838103     -0.913371      1.179077
  H      -3.502738      0.511670      2.214336
  H      -5.879685      1.071970      2.618504
  H      -7.669978     -0.596569      2.096228
  H      -7.045871     -2.772086      1.065804
  H      -4.673715     -3.306421      0.609154
  H      -7.656125     -7.012603      7.280008
  H      -8.684096     -6.670565      5.885027
  H      -7.176341     -7.594084      5.667075
  H      -6.088357     -5.463040      6.599884
  H      -6.450352     -3.878936      4.865220
  H      -7.454398     -4.998191      2.740321
  H      -8.365863     -6.015243      3.846793
  H      -9.292396     -3.844097      1.795598
  H     -10.956394     -2.015693      1.982326
  H     -11.487959     -1.031650      4.213490
  H     -10.336313     -1.904062      6.245874
  H      -8.668959     -3.746829      6.046736
  H      -2.330581     -6.955092      8.510054
  H      -3.631806     -7.004004      7.286169
  H      -3.999859     -6.597250      8.985490
  H      -3.928543     -4.585901      7.770332
  H      -2.295883     -3.605479      6.726082
  H      -0.009875     -4.751998      6.440503
  H      -0.477227     -5.839213      7.758721
  H      -0.679204     -4.997131     10.065949
  H      -0.076071     -3.232607     11.705488
  H       0.694015     -0.997829     10.910982
  H       0.863266     -0.552684      8.461882
  H       0.267268     -2.323011      6.831629
  N      -4.171806     -3.000869      5.032413
  N      -4.857388     -1.865334      5.029016
  H      -4.684248     -1.224309      5.804451
  H      -5.034216     -1.398793      4.127573
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918954955670
  N      -2.614035     -3.899782      2.653828
  C      -2.413792     -4.855907      1.566331
  C      -2.052584     -6.214788      2.165138
  N      -3.026383     -6.542919      3.236683
  C      -4.291922     -7.091719      2.686321
  C      -5.440209     -6.853692      3.661468
  N      -5.408708     -5.470200      4.137392
  Mo     -3.606034     -4.576886      4.258822
  N      -2.375852     -5.326785      5.603241
  C      -1.636637     -6.551844      5.271400
  C      -2.454125     -7.400190      4.303733
  H      -1.427636     -7.162134      6.165549
  H      -0.651409     -6.312392      4.824411
  H      -3.298925     -7.841152      4.851885
  H      -1.852323     -8.223395      3.876261
  H      -6.384301     -7.083247      3.135631
  H      -5.372523     -7.576651      4.498724
  H      -4.500502     -6.550293      1.752902
  H      -4.178901     -8.165075      2.445265
  H      -1.619156     -4.546035      0.870538
  H      -3.328281     -4.962375      0.949691
  H      -1.057773     -6.144299      2.627548
  H      -2.029452     -7.018475      1.406228
  C       0.322323     -3.086582      1.758018
  N      -0.570523     -2.455594      2.724529
  C      -2.028433     -2.564995      2.537568
  C      -2.493566     -1.832093      1.250300
  C      -3.943274     -1.451493      1.361437
  C      -4.302414     -0.191569      1.863452
  C      -5.641186      0.143336      2.086680
  C      -6.652300     -0.782810      1.817877
  C      -6.308209     -2.036209      1.305531
  C      -4.970925     -2.362871      1.077391
  C      -7.616773     -6.742939      6.233469
  N      -6.952046     -5.450813      6.085892
  C      -6.639633     -4.939926      4.737190
  C      -7.850722     -5.030814      3.781371
  C      -8.865664     -3.921349      3.930231
  C      -9.520273     -3.420285      2.794791
  C     -10.456212     -2.389521      2.894961
  C     -10.754392     -1.834537      4.142019
  C     -10.109053     -2.322972      5.280347
  C      -9.174859     -3.356298      5.177264
  C      -3.258819     -6.480126      8.174411
  N      -3.035062     -5.052343      7.978381
  C      -2.105332     -4.681659      6.905768
  C      -0.637222     -4.844224      7.360612
  C      -0.247695     -3.808479      8.379614
  C      -0.345409     -4.066750      9.753791
  C      -0.018551     -3.087130     10.692942
  C       0.410537     -1.825547     10.271872
  C       0.510574     -1.554162      8.905189
  C       0.184200     -2.538789      7.970590
  H       0.297597     -4.193451      1.738126
  H       1.357400     -2.786997      1.979034
  H       0.089114     -2.726162      0.745195
  H      -0.372348     -2.833258      3.656337
  H      -2.435857     -2.006310      3.392199
  H      -2.325232     -2.475945      0.374476
  H      -1.880964     -0.927504      1.124866
  H      -3.521607      0.536556      2.095616
  H      -5.892632      1.131003      2.477320
  H      -7.697203     -0.539080      2.015709
  H      -7.089438     -2.768502      1.095089
  H      -4.723103     -3.348045      0.678418
  H      -7.637376     -6.998160      7.302680
  H      -8.664197     -6.672494      5.903348
  H      -7.151527     -7.591217      5.695812
  H      -6.078820     -5.448148      6.616499
  H      -6.435323     -3.869657      4.881844
  H      -7.449467     -4.998341      2.757281
  H      -8.356190     -6.005522      3.876886
  H      -9.285808     -3.843146      1.813953
  H     -10.949165     -2.014200      1.995796
  H     -11.482185     -1.025210      4.224778
  H     -10.331975     -1.893906      6.259560
  H      -8.662862     -3.734534      6.065265
  H      -2.328765     -6.970581      8.500209
  H      -3.625184     -7.009629      7.271350
  H      -4.000006     -6.620716      8.973418
  H      -3.926652     -4.596134      7.771446
  H      -2.282000     -3.609466      6.745312
  H       0.004665     -4.744087      6.471736
  H      -0.470009     -5.851590      7.769958
  H      -0.689153     -5.048118     10.087667
  H      -0.100382     -3.308933     11.758858
  H       0.667572     -1.059021     11.005083
  H       0.847915     -0.573294      8.564355
  H       0.265572     -2.319080      6.902307
  N      -4.145571     -2.999960      5.053582
  N      -4.820374     -1.858078      4.949297
  H      -4.671044     -1.171194      5.687729
  H      -4.974872     -1.453866      4.017402
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919461553101
  N      -2.611182     -3.897958      2.658259
  C      -2.408256     -4.857065      1.572446
  C      -2.044561     -6.215817      2.170802
  N      -3.016749     -6.548549      3.241244
  C      -4.284577     -7.092286      2.693365
  C      -5.432326     -6.849486      3.667840
  N      -5.396544     -5.466665      4.144823
  Mo     -3.593471     -4.579874      4.264025
  N      -2.361562     -5.331606      5.604541
  C      -1.623802     -6.555761      5.272814
  C      -2.442978     -7.404568      4.307136
  H      -1.414584     -7.166013      6.167113
  H      -0.637917     -6.316696      4.825754
  H      -3.286702     -7.846624      4.856042
  H      -1.841176     -8.227749      3.878963
  H      -6.377916     -7.076345      3.142944
  H      -5.366627     -7.572536      4.505328
  H      -4.492362     -6.550393      1.759867
  H      -4.176452     -8.166318      2.452123
  H      -1.611591     -4.547063      0.880078
  H      -3.320730     -4.966668      0.952220
  H      -1.049578     -6.145389      2.633306
  H      -2.019731     -7.016786      1.408909
  C       0.302915     -3.047366      1.728329
  N      -0.593094     -2.419046      2.694495
  C      -2.049972     -2.553661      2.524539
  C      -2.538731     -1.838485      1.235609
  C      -3.991128     -1.468810      1.361215
  C      -4.356057     -0.191347      1.814038
  C      -5.694834      0.137942      2.049100
  C      -6.698933     -0.811581      1.839960
  C      -6.349599     -2.082468      1.376977
  C      -5.012748     -2.404492      1.138434
  C      -7.612194     -6.733182      6.235365
  N      -6.946502     -5.441912      6.085898
  C      -6.626783     -4.932711      4.738043
  C      -7.834320     -5.021985      3.779801
  C      -8.838384     -3.902398      3.919293
  C      -9.481531     -3.400111      2.777871
  C     -10.406684     -2.358786      2.867369
  C     -10.705506     -1.794253      4.110021
  C     -10.072340     -2.284747      5.254370
  C      -9.148906     -3.328698      5.161693
  C      -3.259365     -6.489861      8.168534
  N      -3.029403     -5.062899      7.978022
  C      -2.096748     -4.690810      6.910119
  C      -0.630234     -4.856159      7.371777
  C      -0.247719     -3.826806      8.399988
  C      -0.350182     -4.093822      9.771929
  C      -0.029568     -3.119000     10.718432
  C       0.397783     -1.853819     10.306861
  C       0.502336     -1.573498      8.942169
  C       0.182286     -2.553143      8.000396
  H       0.305576     -4.154862      1.734014
  H       1.332525     -2.715981      1.929315
  H       0.046922     -2.714362      0.711732
  H      -0.373961     -2.775867      3.627880
  H      -2.460496     -1.992741      3.376383
  H      -2.376542     -2.488276      0.362304
  H      -1.935155     -0.930384      1.093978
  H      -3.577841      0.553048      1.999439
  H      -5.951828      1.137794      2.403984
  H      -7.743179     -0.571325      2.046232
  H      -7.125587     -2.831845      1.213929
  H      -4.759588     -3.403284      0.779189
  H      -7.635331     -6.984208      7.305452
  H      -8.658925     -6.664031      5.902391
  H      -7.145260     -7.583387      5.702094
  H      -6.074465     -5.437258      6.620114
  H      -6.419133     -3.862883      4.881232
  H      -7.433484     -5.001546      2.755443
  H      -8.348812     -5.991460      3.884964
  H      -9.246971     -3.831506      1.800880
  H     -10.890276     -1.982765      1.963437
  H     -11.424567     -0.976467      4.184778
  H     -10.296330     -1.848832      6.230245
  H      -8.646681     -3.707299      6.055012
  H      -2.330781     -6.986228      8.489558
  H      -3.630598     -7.014022      7.264218
  H      -3.998763     -6.630472      8.969293
  H      -3.918642     -4.601033      7.775760
  H      -2.271527     -3.618055      6.751496
  H       0.016964     -4.749968      6.487827
  H      -0.465782     -5.866621      7.775059
  H      -0.692962     -5.077930     10.098409
  H      -0.115163     -3.347365     11.782646
  H       0.649866     -1.091135     11.045752
  H       0.838099     -0.589453      8.609085
  H       0.266522     -2.327434      6.933656
  N      -4.117650     -3.002144      5.066187
  N      -4.793131     -1.863819      4.924531
  H      -4.640003     -1.153623      5.639757
  H      -4.949375     -1.490600      3.980028
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919955952484
  N      -2.598063     -3.894174      2.652595
  C      -2.390468     -4.860244      1.572613
  C      -2.032902     -6.217516      2.174103
  N      -3.007722     -6.549090      3.239743
  C      -4.279498     -7.080026      2.695305
  C      -5.423868     -6.823175      3.668534
  N      -5.381334     -5.438601      4.135017
  Mo     -3.571215     -4.568406      4.261507
  N      -2.345226     -5.331172      5.601660
  C      -1.616277     -6.558413      5.271761
  C      -2.440615     -7.404085      4.307763
  H      -1.410969     -7.169612      6.166554
  H      -0.628556     -6.324581      4.825247
  H      -3.287060     -7.840566      4.856942
  H      -1.843354     -8.232362      3.882388
  H      -6.371628     -7.049864      3.147425
  H      -5.361132     -7.540678      4.511349
  H      -4.483643     -6.539192      1.760165
  H      -4.183729     -8.156130      2.456918
  H      -1.586070     -4.554060      0.888380
  H      -3.297663     -4.969064      0.943953
  H      -1.039785     -6.148928      2.641281
  H      -2.005053     -7.017099      1.410590
  C       0.295197     -3.027841      1.686852
  N      -0.597650     -2.397026      2.658233
  C      -2.051515     -2.544498      2.499464
  C      -2.551905     -1.842882      1.210085
  C      -4.005475     -1.477554      1.345390
  C      -4.374063     -0.191758      1.774323
  C      -5.711707      0.132032      2.021803
  C      -6.709915     -0.830346      1.842986
  C      -6.357762     -2.109136      1.406015
  C      -5.021139     -2.428174      1.160468
  C      -7.593404     -6.675532      6.257299
  N      -6.924198     -5.389996      6.082407
  C      -6.608648     -4.897722      4.728371
  C      -7.823265     -5.006244      3.783405
  C      -8.838700     -3.896862      3.921978
  C      -9.521825     -3.439501      2.784612
  C     -10.459669     -2.409363      2.867489
  C     -10.733243     -1.811391      4.100378
  C     -10.063464     -2.259553      5.241180
  C      -9.126860     -3.292539      5.154799
  C      -3.259241     -6.493397      8.154093
  N      -3.023854     -5.066627      7.971200
  C      -2.085915     -4.694213      6.909674
  C      -0.622273     -4.865297      7.380906
  C      -0.250280     -3.850672      8.427538
  C      -0.359491     -4.137005      9.794634
  C      -0.046999     -3.174113     10.756334
  C       0.378531     -1.902201     10.364527
  C       0.489668     -1.602440      9.004239
  C       0.177878     -2.569932      8.047534
  H       0.309536     -4.134821      1.711549
  H       1.321898     -2.679170      1.872542
  H       0.023033     -2.712109      0.669426
  H      -0.358364     -2.744215      3.591640
  H      -2.467701     -1.975771      3.343598
  H      -2.398264     -2.495724      0.337003
  H      -1.951472     -0.934768      1.055986
  H      -3.595302      0.557857      1.935121
  H      -5.974044      1.134726      2.364420
  H      -7.753844     -0.592985      2.055840
  H      -7.128885     -2.868540      1.273222
  H      -4.761458     -3.434140      0.828194
  H      -7.613026     -6.905161      7.332212
  H      -8.641367     -6.609963      5.927117
  H      -7.130388     -7.537443      5.739174
  H      -6.052172     -5.375561      6.614076
  H      -6.400441     -3.825640      4.854933
  H      -7.438911     -4.996870      2.752627
  H      -8.327712     -5.978731      3.911323
  H      -9.310468     -3.900537      1.816053
  H     -10.973236     -2.068823      1.966001
  H     -11.462150     -1.001935      4.170320
  H     -10.268887     -1.798771      6.209694
  H      -8.597989     -3.637069      6.046309
  H      -2.331204     -6.995551      8.467678
  H      -3.636227     -7.010622      7.247966
  H      -3.995005     -6.636296      8.957880
  H      -3.911004     -4.599752      7.772372
  H      -2.254482     -3.619977      6.753388
  H       0.032821     -4.745052      6.504699
  H      -0.460571     -5.882118      7.769282
  H      -0.701288     -5.126368     10.105927
  H      -0.137895     -3.417044     11.816903
  H       0.624156     -1.148918     11.115195
  H       0.823993     -0.612620      8.687120
  H       0.267039     -2.331036      6.984070
  N      -4.082951     -2.990043      5.064861
  N      -4.779691     -1.864866      4.899369
  H      -4.629310     -1.136340      5.597115
  H      -4.929587     -1.514175      3.946058
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920345156618
  N      -2.592541     -3.887959      2.651949
  C      -2.391446     -4.857800      1.573555
  C      -2.028524     -6.212383      2.176127
  N      -2.998249     -6.548570      3.243000
  C      -4.271983     -7.074974      2.702450
  C      -5.414329     -6.809306      3.673667
  N      -5.369190     -5.421020      4.129360
  Mo     -3.556267     -4.561298      4.263933
  N      -2.333496     -5.330081      5.603321
  C      -1.604621     -6.555855      5.272773
  C      -2.430024     -7.401289      4.310490
  H      -1.397061     -7.167548      6.166650
  H      -0.617500     -6.321644      4.824442
  H      -3.275803     -7.837066      4.860967
  H      -1.833009     -8.230826      3.886093
  H      -6.362575     -7.039020      3.154493
  H      -5.352205     -7.520977      4.521492
  H      -4.474406     -6.536793      1.765531
  H      -4.183442     -8.152813      2.467405
  H      -1.589878     -4.554521      0.884695
  H      -3.300593     -4.967885      0.947295
  H      -1.034400     -6.140796      2.640784
  H      -1.998436     -7.009862      1.410127
  C       0.282937     -2.995170      1.646065
  N      -0.608083     -2.367913      2.621549
  C      -2.060734     -2.534733      2.477961
  C      -2.578859     -1.853539      1.184452
  C      -4.033099     -1.492300      1.339425
  C      -4.407592     -0.193014      1.719139
  C      -5.743865      0.127303      1.980086
  C      -6.733136     -0.854277      1.868727
  C      -6.375429     -2.147479      1.482860
  C      -5.040763     -2.462088      1.220341
  C      -7.572825     -6.634764      6.272537
  N      -6.908461     -5.349714      6.079168
  C      -6.595083     -4.873706      4.718178
  C      -7.811381     -4.995291      3.777667
  C      -8.829624     -3.887411      3.908355
  C      -9.539442     -3.464900      2.773463
  C     -10.479964     -2.436651      2.847547
  C     -10.729646     -1.805457      4.069028
  C     -10.033919     -2.219416      5.207132
  C      -9.094490     -3.250741      5.129555
  C      -3.262339     -6.496893      8.148231
  N      -3.018297     -5.071026      7.971883
  C      -2.078245     -4.697190      6.914424
  C      -0.615747     -4.874632      7.390108
  C      -0.248732     -3.875671      8.453318
  C      -0.364798     -4.181814      9.815387
  C      -0.057701     -3.232661     10.792471
  C       0.368696     -1.955109     10.421191
  C       0.486593     -1.635455      9.065836
  C       0.180587     -2.589201      8.093685
  H       0.319500     -4.101615      1.687628
  H       1.304866     -2.623273      1.813741
  H      -0.007811     -2.699067      0.628040
  H      -0.353700     -2.694077      3.556087
  H      -2.475855     -1.959685      3.318164
  H      -2.438435     -2.517387      0.317142
  H      -1.980598     -0.947912      1.009193
  H      -3.632560      0.570266      1.825579
  H      -6.011827      1.141349      2.283083
  H      -7.775329     -0.619445      2.092728
  H      -7.139724     -2.921114      1.405698
  H      -4.774119     -3.479298      0.931079
  H      -7.591943     -6.848094      7.350807
  H      -8.620899     -6.578853      5.941283
  H      -7.105872     -7.502516      5.767784
  H      -6.037361     -5.321497      6.613395
  H      -6.386620     -3.800315      4.832091
  H      -7.433709     -4.997424      2.744381
  H      -8.313330     -5.967132      3.919071
  H      -9.346623     -3.951952      1.813705
  H     -11.013772     -2.123318      1.947964
  H     -11.460406     -0.997143      4.132103
  H     -10.221124     -1.733260      6.166877
  H      -8.546861     -3.569468      6.019234
  H      -2.336677     -7.005853      8.457953
  H      -3.643528     -7.007722      7.240127
  H      -3.997598     -6.639258      8.952658
  H      -3.902574     -4.597647      7.776198
  H      -2.243829     -3.622046      6.761296
  H       0.042323     -4.741294      6.518165
  H      -0.455164     -5.897255      7.763654
  H      -0.707910     -5.175627     10.110420
  H      -0.153700     -3.490831     11.848995
  H       0.609891     -1.212559     11.183882
  H       0.821496     -0.640712      8.765243
  H       0.274890     -2.335704      7.034190
  N      -4.053318     -2.980622      5.070462
  N      -4.768662     -1.868897      4.882855
  H      -4.611891     -1.117431      5.554435
  H      -4.936052     -1.548871      3.920518
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920685030385
  N      -2.589627     -3.882593      2.652208
  C      -2.388335     -4.855812      1.576916
  C      -2.021681     -6.207455      2.182726
  N      -2.989613     -6.547331      3.248971
  C      -4.264364     -7.069604      2.709142
  C      -5.405343     -6.795870      3.678293
  N      -5.359000     -5.403007      4.121057
  Mo     -3.542757     -4.553299      4.271145
  N      -2.324860     -5.328633      5.611942
  C      -1.599045     -6.556545      5.281242
  C      -2.424348     -7.399356      4.317209
  H      -1.393402     -7.169595      6.174299
  H      -0.611113     -6.325217      4.833721
  H      -3.272014     -7.832262      4.867012
  H      -1.828408     -8.231226      3.895524
  H      -6.353085     -7.030018      3.160372
  H      -5.343729     -7.500393      4.531945
  H      -4.463809     -6.533833      1.770324
  H      -4.182711     -8.148843      2.477368
  H      -1.587894     -4.553498      0.885668
  H      -3.296441     -4.968001      0.949809
  H      -1.027911     -6.131129      2.647263
  H      -1.986479     -7.004250      1.415835
  C       0.274455     -2.956471      1.615193
  N      -0.620625     -2.342464      2.594602
  C      -2.072168     -2.526100      2.459982
  C      -2.601688     -1.861889      1.160966
  C      -4.055124     -1.496868      1.320620
  C      -4.428526     -0.190787      1.674032
  C      -5.764233      0.136323      1.926988
  C      -6.754540     -0.845375      1.834583
  C      -6.398388     -2.146292      1.474242
  C      -5.063598     -2.468298      1.220974
  C      -7.538837     -6.590311      6.302013
  N      -6.885758     -5.304227      6.081521
  C      -6.583069     -4.850401      4.711235
  C      -7.804690     -4.991164      3.780561
  C      -8.831647     -3.889508      3.902884
  C      -9.581775     -3.516985      2.775953
  C     -10.530562     -2.495868      2.842006
  C     -10.747832     -1.821313      4.046610
  C     -10.011002     -2.184484      5.175945
  C      -9.062866     -3.208624      5.106646
  C      -3.271217     -6.492383      8.153159
  N      -3.012433     -5.068549      7.980604
  C      -2.068811     -4.698550      6.924944
  C      -0.607606     -4.886785      7.401260
  C      -0.239068     -3.906104      8.480479
  C      -0.360943     -4.234201      9.836939
  C      -0.052930     -3.302723     10.830491
  C       0.379781     -2.021090     10.481525
  C       0.503323     -1.679585      9.131979
  C       0.196644     -2.615871      8.143134
  H       0.330964     -4.062124      1.658478
  H       1.290997     -2.567086      1.776538
  H      -0.026104     -2.667193      0.598086
  H      -0.356130     -2.658479      3.529277
  H      -2.488317     -1.946062      3.296235
  H      -2.468005     -2.534479      0.299664
  H      -2.003322     -0.959349      0.971012
  H      -3.652580      0.573968      1.761077
  H      -6.031476      1.157366      2.206084
  H      -7.797305     -0.603913      2.047846
  H      -7.165144     -2.918824      1.408092
  H      -4.797249     -3.491279      0.952929
  H      -7.553092     -6.783083      7.384272
  H      -8.588262     -6.549727      5.973340
  H      -7.066130     -7.463931      5.812847
  H      -6.015356     -5.255847      6.614491
  H      -6.377221     -3.774766      4.807908
  H      -7.434519     -5.004813      2.744741
  H      -8.299092     -5.964664      3.934775
  H      -9.411973     -4.035553      1.828021
  H     -11.095599     -2.221366      1.948873
  H     -11.484893     -1.018214      4.102916
  H     -10.172703     -1.664443      6.122498
  H      -8.486175     -3.491403      5.990138
  H      -2.349988     -7.011393      8.459533
  H      -3.659339     -6.996657      7.244402
  H      -4.006288     -6.629335      8.958669
  H      -3.891655     -4.584991      7.786519
  H      -2.227920     -3.622243      6.773574
  H       0.050960     -4.742624      6.531162
  H      -0.449741     -5.915202      7.759589
  H      -0.709402     -5.231313     10.114064
  H      -0.153223     -3.577903     11.882332
  H       0.621521     -1.292184     11.257100
  H       0.843004     -0.681251      8.849187
  H       0.295228     -2.345602      7.088246
  N      -4.030801     -2.971184      5.081821
  N      -4.775445     -1.879539      4.871130
  H      -4.623615     -1.105922      5.517882
  H      -4.952744     -1.588433      3.900862
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920925860443
  N      -2.583075     -3.872475      2.662403
  C      -2.385361     -4.845160      1.586619
  C      -2.017286     -6.198664      2.189194
  N      -2.984336     -6.547578      3.253557
  C      -4.258305     -7.069595      2.711251
  C      -5.399476     -6.791539      3.678695
  N      -5.351279     -5.396301      4.113484
  Mo     -3.534279     -4.551289      4.280259
  N      -2.324038     -5.338628      5.620670
  C      -1.596931     -6.565500      5.287937
  C      -2.418494     -7.403669      4.317548
  H      -1.394101     -7.180902      6.179678
  H      -0.607739     -6.333357      4.844108
  H      -3.266896     -7.840245      4.863630
  H      -1.821083     -8.232643      3.892827
  H      -6.347177     -7.028237      3.162048
  H      -5.337611     -7.491389      4.536077
  H      -4.455886     -6.535671      1.770966
  H      -4.178800     -8.149399      2.481812
  H      -1.586119     -4.543340      0.892910
  H      -3.294254     -4.955570      0.960272
  H      -1.023985     -6.121900      2.654707
  H      -1.978066     -6.991125      1.417786
  C       0.262318     -2.928687      1.604201
  N      -0.630848     -2.313832      2.582876
  C      -2.081322     -2.512816      2.458495
  C      -2.623634     -1.861197      1.157291
  C      -4.077527     -1.504161      1.318943
  C      -4.456511     -0.196238      1.655305
  C      -5.792736      0.127070      1.908472
  C      -6.778450     -0.860309      1.833384
  C      -6.416435     -2.164606      1.489746
  C      -5.080870     -2.483023      1.236798
  C      -7.517029     -6.549849      6.320805
  N      -6.872148     -5.263590      6.078408
  C      -6.573975     -4.834257      4.700550
  C      -7.798065     -4.987397      3.776216
  C      -8.826740     -3.885371      3.887326
  C      -9.602196     -3.548704      2.766229
  C     -10.551771     -2.527802      2.823013
  C     -10.743351     -1.816945      4.011157
  C      -9.979683     -2.142999      5.133775
  C      -9.031148     -3.167493      5.074332
  C      -3.278247     -6.504559      8.157425
  N      -3.010145     -5.081544      7.991742
  C      -2.066776     -4.710696      6.935466
  C      -0.604977     -4.901800      7.408477
  C      -0.232697     -3.926698      8.491131
  C      -0.352018     -4.262378      9.846051
  C      -0.040783     -3.336963     10.844187
  C       0.392708     -2.053902     10.501389
  C       0.513824     -1.705022      9.153548
  C       0.203826     -2.635306      8.160034
  H       0.334850     -4.032695      1.659976
  H       1.275604     -2.524420      1.748960
  H      -0.052422     -2.657100      0.586345
  H      -0.359425     -2.608658      3.523087
  H      -2.499075     -1.932215      3.293756
  H      -2.488013     -2.536894      0.299088
  H      -2.032434     -0.955266      0.961058
  H      -3.684966      0.574291      1.728547
  H      -6.063743      1.151470      2.171101
  H      -7.821881     -0.621021      2.044978
  H      -7.180856     -2.940707      1.434686
  H      -4.809295     -3.509025      0.984761
  H      -7.529967     -6.726014      7.405939
  H      -8.566709     -6.521196      5.991633
  H      -7.038437     -7.428024      5.845562
  H      -6.001878     -5.202009      6.608461
  H      -6.368431     -3.757169      4.780720
  H      -7.429209     -5.011811      2.739902
  H      -8.291122     -5.960395      3.938300
  H      -9.449917     -4.092977      1.829692
  H     -11.137430     -2.281386      1.935010
  H     -11.481089     -1.013909      4.059413
  H     -10.120592     -1.593942      6.067194
  H      -8.435765     -3.425329      5.953013
  H      -2.360765     -7.030353      8.463782
  H      -3.667438     -7.002109      7.245574
  H      -4.016335     -6.639519      8.960362
  H      -3.886041     -4.589633      7.803947
  H      -2.225099     -3.634146      6.785900
  H       0.050700     -4.754910      6.536396
  H      -0.447231     -5.931667      7.762484
  H      -0.700970     -5.260856     10.117754
  H      -0.138978     -3.618055     11.894664
  H       0.637056     -1.329618     11.280479
  H       0.854266     -0.705505      8.875818
  H       0.301038     -2.359161      7.106525
  N      -4.013800     -2.967943      5.096208
  N      -4.781429     -1.889803      4.880502
  H      -4.618282     -1.098689      5.503155
  H      -4.982342     -1.622142      3.908332
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.921080444568
  N      -2.573551     -3.870797      2.663183
  C      -2.362658     -4.847556      1.593981
  C      -2.000640     -6.199671      2.203592
  N      -2.979748     -6.546937      3.258426
  C      -4.252046     -7.061401      2.703160
  C      -5.399079     -6.775952      3.663409
  N      -5.343935     -5.380217      4.098009
  Mo     -3.523105     -4.547147      4.285630
  N      -2.323734     -5.341623      5.631428
  C      -1.605385     -6.576422      5.302560
  C      -2.427161     -7.408082      4.325059
  H      -1.415991     -7.193303      6.196131
  H      -0.610297     -6.354468      4.867239
  H      -3.282921     -7.838353      4.865062
  H      -1.833278     -8.241001      3.903828
  H      -6.344945     -7.006228      3.140861
  H      -5.346586     -7.475126      4.521616
  H      -4.437774     -6.525484      1.761588
  H      -4.177179     -8.141281      2.474053
  H      -1.556784     -4.547236      0.907311
  H      -3.264306     -4.960880      0.957844
  H      -1.012233     -6.121312      2.679177
  H      -1.952199     -6.993455      1.434119
  C       0.258844     -2.879247      1.591760
  N      -0.643748     -2.282877      2.569869
  C      -2.092968     -2.503144      2.450375
  C      -2.650509     -1.869971      1.146073
  C      -4.106778     -1.529090      1.311416
  C      -4.495486     -0.223791      1.645590
  C      -5.833280      0.089689      1.901461
  C      -6.812681     -0.903621      1.829573
  C      -6.440690     -2.206269      1.487362
  C      -5.103560     -2.515071      1.232457
  C      -7.484265     -6.524240      6.322700
  N      -6.856057     -5.231794      6.068315
  C      -6.564659     -4.814394      4.687483
  C      -7.791041     -4.970101      3.768254
  C      -8.821432     -3.869315      3.879617
  C      -9.622400     -3.558039      2.769510
  C     -10.572319     -2.537533      2.826945
  C     -10.738117     -1.801953      4.003868
  C      -9.948795     -2.102845      5.115551
  C      -9.000371     -3.127438      5.056025
  C      -3.289394     -6.501254      8.164874
  N      -3.011384     -5.080061      8.001245
  C      -2.063030     -4.714810      6.946987
  C      -0.602980     -4.913560      7.420123
  C      -0.225626     -3.944652      8.506363
  C      -0.352596     -4.285846      9.859624
  C      -0.036655     -3.368402     10.863309
  C       0.409598     -2.087467     10.528163
  C       0.538327     -1.733376      9.182645
  C       0.223314     -2.655988      8.183313
  H       0.348043     -3.982886      1.638859
  H       1.267339     -2.463329      1.737221
  H      -0.059620     -2.607202      0.574915
  H      -0.368124     -2.572499      3.510999
  H      -2.515398     -1.923578      3.283868
  H      -2.507425     -2.550988      0.293697
  H      -2.073721     -0.956567      0.941348
  H      -3.732461      0.555372      1.716265
  H      -6.109432      1.113159      2.162533
  H      -7.857148     -0.672407      2.044685
  H      -7.200861     -2.986641      1.432201
  H      -4.826894     -3.539768      0.980104
  H      -7.498164     -6.691147      7.409270
  H      -8.533073     -6.512501      5.989713
  H      -6.992229     -7.400124      5.857315
  H      -5.986098     -5.154648      6.596421
  H      -6.360738     -3.736395      4.759484
  H      -7.420579     -4.991980      2.731977
  H      -8.282507     -5.944914      3.924827
  H      -9.488602     -4.119493      1.840451
  H     -11.179122     -2.310750      1.947967
  H     -11.476635     -0.999622      4.051906
  H     -10.069090     -1.534012      6.039939
  H      -8.387643     -3.369930      5.926931
  H      -2.376710     -7.032740      8.475684
  H      -3.677395     -6.995919      7.250937
  H      -4.032640     -6.631143      8.963774
  H      -3.882595     -4.580756      7.811816
  H      -2.216568     -3.637620      6.796122
  H       0.052416     -4.767901      6.547648
  H      -0.449864     -5.944883      7.771933
  H      -0.711200     -5.282710     10.124571
  H      -0.141009     -3.653851     11.911994
  H       0.657686     -1.369174     11.311591
  H       0.888571     -0.735632      8.910792
  H       0.326307     -2.374505      7.131743
  N      -3.994347     -2.959778      5.105679
  N      -4.783050     -1.898805      4.865249
  H      -4.622444     -1.086522      5.460545
  H      -4.990535     -1.660579      3.887184
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.921226972271
  N      -2.563008     -3.860648      2.672021
  C      -2.360457     -4.837099      1.601532
  C      -2.000302     -6.192030      2.206955
  N      -2.980902     -6.543751      3.259075
  C      -4.251913     -7.058185      2.699562
  C      -5.399079     -6.770986      3.658768
  N      -5.339261     -5.375998      4.093215
  Mo     -3.517700     -4.545173      4.291037
  N      -2.328378     -5.354578      5.635741
  C      -1.607087     -6.585903      5.302870
  C      -2.426860     -7.412093      4.319675
  H      -1.419869     -7.205218      6.195292
  H      -0.611419     -6.360340      4.870900
  H      -3.282077     -7.848067      4.856050
  H      -1.831819     -8.240425      3.891530
  H      -6.346316     -6.998108      3.137563
  H      -5.346707     -7.470738      4.516594
  H      -4.436388     -6.522139      1.757784
  H      -4.175512     -8.137946      2.471315
  H      -1.555979     -4.540669      0.911837
  H      -3.265706     -4.946972      0.969280
  H      -1.012931     -6.116091      2.685164
  H      -1.950942     -6.982875      1.434700
  C       0.253054     -2.874984      1.592590
  N      -0.644537     -2.261115      2.563546
  C      -2.091685     -2.490226      2.454739
  C      -2.660101     -1.862170      1.153011
  C      -4.119255     -1.537429      1.318803
  C      -4.519191     -0.240367      1.672514
  C      -5.860208      0.057689      1.932256
  C      -6.832020     -0.941688      1.839981
  C      -6.448340     -2.235310      1.476166
  C      -5.108069     -2.529767      1.222352
  C      -7.466904     -6.487586      6.340818
  N      -6.845177     -5.195014      6.069091
  C      -6.557663     -4.799819      4.680838
  C      -7.787309     -4.965043      3.769052
  C      -8.817801     -3.863067      3.870546
  C      -9.633381     -3.577452      2.764414
  C     -10.580655     -2.553924      2.810473
  C     -10.729398     -1.790233      3.971527
  C      -9.926515     -2.066565      5.079910
  C      -8.980569     -3.094047      5.031953
  C      -3.287617     -6.526426      8.161603
  N      -3.012122     -5.103511      8.007985
  C      -2.066931     -4.730647      6.952982
  C      -0.605810     -4.925641      7.422608
  C      -0.227853     -3.953544      8.505930
  C      -0.349086     -4.292758      9.860330
  C      -0.032588     -3.372632     10.861367
  C       0.408811     -2.090879     10.522487
  C       0.531953     -1.738869      9.175988
  C       0.216116     -2.664145      8.179316
  H       0.346389     -3.977052      1.660876
  H       1.261671     -2.453438      1.719880
  H      -0.075024     -2.626311      0.572720
  H      -0.367108     -2.527769      3.509280
  H      -2.513197     -1.912815      3.289987
  H      -2.508641     -2.540760      0.300015
  H      -2.094653     -0.941339      0.949612
  H      -3.763851      0.544503      1.760052
  H      -6.143774      1.074530      2.210811
  H      -7.878824     -0.723156      2.057623
  H      -7.202619     -3.019401      1.403842
  H      -4.823424     -3.548288      0.954192
  H      -7.483816     -6.639467      7.429510
  H      -8.514246     -6.486678      6.003156
  H      -6.967176     -7.366583      5.889912
  H      -5.971602     -5.111287      6.591537
  H      -6.352986     -3.720822      4.735415
  H      -7.417532     -4.996315      2.732579
  H      -8.278159     -5.938828      3.934249
  H      -9.513300     -4.161217      1.847437
  H     -11.199339     -2.346939      1.934879
  H     -11.466013     -0.985614      4.010006
  H     -10.033276     -1.475280      5.991767
  H      -8.356114     -3.317362      5.899455
  H      -2.375958     -7.057410      8.476319
  H      -3.667852     -7.016055      7.241802
  H      -4.036946     -6.661910      8.953814
  H      -3.884203     -4.603314      7.825555
  H      -2.224697     -3.653542      6.805497
  H       0.047291     -4.779947      6.548493
  H      -0.450238     -5.956022      7.776337
  H      -0.703692     -5.290350     10.127952
  H      -0.132629     -3.656587     11.910873
  H       0.657465     -1.370470     11.303799
  H       0.878553     -0.740707      8.901004
  H       0.315508     -2.383654      7.127111
  N      -3.978124     -2.954814      5.115138
  N      -4.771513     -1.892812      4.889823
  H      -4.580579     -1.073460      5.466891
  H      -5.004139     -1.663818      3.915435
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.911038927407
  N      -2.535694     -3.872140      2.692946
  C      -2.333180     -4.842662      1.617852
  C      -1.980104     -6.199843      2.217470
  N      -2.968131     -6.556963      3.263608
  C      -4.237719     -7.071572      2.698366
  C      -5.387577     -6.781930      3.655258
  N      -5.323655     -5.387224      4.087714
  Mo     -3.500814     -4.558425      4.303982
  N      -2.327682     -5.378782      5.653540
  C      -1.600744     -6.607269      5.315620
  C      -2.414598     -7.431379      4.323151
  H      -1.415962     -7.229692      6.206465
  H      -0.603803     -6.376659      4.889535
  H      -3.270844     -7.875284      4.853623
  H      -1.814519     -8.254609      3.891684
  H      -6.334523     -7.006806      3.132278
  H      -5.339877     -7.481297      4.514746
  H      -4.419166     -6.536266      1.753998
  H      -4.160705     -8.151950      2.472315
  H      -1.524383     -4.545881      0.929023
  H      -3.239577     -4.948626      0.983269
  H      -0.995159     -6.129172      2.702494
  H      -1.926891     -6.985678      1.440723
  C       0.266674     -2.885212      1.580871
  N      -0.623714     -2.249875      2.562533
  C      -2.078126     -2.491185      2.471625
  C      -2.662187     -1.857194      1.165787
  C      -4.141719     -1.526374      1.343340
  C      -4.534844     -0.236121      1.718530
  C      -5.907748      0.065207      2.003637
  C      -6.921230     -0.919622      1.909598
  C      -6.539207     -2.206627      1.530010
  C      -5.165300     -2.510233      1.258079
  C      -7.454062     -6.464612      6.349822
  N      -6.838072     -5.170427      6.062522
  C      -6.545894     -4.796082      4.663622
  C      -7.776000     -4.964996      3.748128
  C      -8.816669     -3.852915      3.834633
  C      -9.653750     -3.579322      2.720594
  C     -10.610738     -2.547750      2.750808
  C     -10.748081     -1.763117      3.903026
  C      -9.923809     -2.025460      5.017792
  C      -8.968121     -3.060744      4.985691
  C      -3.277435     -6.555574      8.175572
  N      -3.006275     -5.132333      8.029328
  C      -2.066694     -4.753749      6.970672
  C      -0.601849     -4.938882      7.431569
  C      -0.222265     -3.957967      8.503198
  C      -0.331012     -4.288734      9.857933
  C      -0.011550     -3.360823     10.846345
  C       0.420584     -2.079724     10.494239
  C       0.531020     -1.736229      9.147297
  C       0.212050     -2.669226      8.163281
  H       0.339377     -4.021941      1.680670
  H       1.292791     -2.427019      1.714957
  H      -0.067082     -2.653674      0.506065
  H      -0.330964     -2.503603      3.535924
  H      -2.504274     -1.920462      3.313641
  H      -2.507734     -2.528598      0.299374
  H      -2.096119     -0.934571      0.962225
  H      -3.751014      0.532867      1.811606
  H      -6.184720      1.073722      2.300500
  H      -7.995837     -0.696804      2.144480
  H      -7.324775     -2.982464      1.461428
  H      -4.885954     -3.530992      0.984571
  H      -7.474712     -6.599513      7.444336
  H      -8.502335     -6.476006      6.007352
  H      -6.944116     -7.348092      5.910425
  H      -5.962462     -5.079898      6.583380
  H      -6.337415     -3.715719      4.704844
  H      -7.399192     -5.007317      2.706266
  H      -8.267144     -5.941768      3.927120
  H      -9.542470     -4.179588      1.809950
  H     -11.246245     -2.351259      1.869988
  H     -11.492198     -0.952393      3.929048
  H     -10.021646     -1.417062      5.922289
  H      -8.329964     -3.273066      5.857379
  H      -2.364220     -7.084068      8.489470
  H      -3.654140     -7.041328      7.252675
  H      -4.029046     -6.697410      8.965271
  H      -3.879746     -4.632229      7.857742
  H      -2.230644     -3.678632      6.822653
  H       0.044823     -4.796641      6.551775
  H      -0.438316     -5.963908      7.792015
  H      -0.677562     -5.286096     10.135594
  H      -0.101615     -3.638222     11.896305
  H       0.672096     -1.353360     11.265515
  H       0.870998     -0.738899      8.861776
  H       0.302761     -2.395932      7.110356
  N      -3.960465     -2.957013      5.108193
  N      -4.777320     -1.902437      4.879076
  H      -4.566906     -1.050545      5.421246
  H      -5.042995     -1.687805      3.881050
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919830317892
  N      -2.546876     -3.863343      2.683686
  C      -2.345795     -4.835537      1.609894
  C      -1.993194     -6.191980      2.208566
  N      -2.979373     -6.548304      3.255760
  C      -4.249521     -7.057782      2.693535
  C      -5.396917     -6.768116      3.652463
  N      -5.328687     -5.376273      4.088082
  Mo     -3.505107     -4.552789      4.296785
  N      -2.332463     -5.376151      5.642147
  C      -1.610445     -6.605384      5.304381
  C      -2.427868     -7.424966      4.312465
  H      -1.427478     -7.228919      6.194043
  H      -0.612670     -6.377212      4.878447
  H      -3.284278     -7.866294      4.843285
  H      -1.831579     -8.249882      3.878344
  H      -6.344965     -6.988347      3.130315
  H      -5.350141     -7.471004      4.508602
  H      -4.430927     -6.520164      1.751729
  H      -4.174698     -8.137518      2.464605
  H      -1.537680     -4.539945      0.921943
  H      -3.251421     -4.941400      0.976349
  H      -1.007868     -6.122734      2.692110
  H      -1.942509     -6.977568      1.430888
  C       0.246345     -2.870023      1.593067
  N      -0.648195     -2.238498      2.559702
  C      -2.094554     -2.485822      2.460198
  C      -2.679165     -1.864303      1.157780
  C      -4.149088     -1.548600      1.332951
  C      -4.557701     -0.262820      1.698097
  C      -5.898678      0.032539      1.973748
  C      -6.864281     -0.955850      1.882304
  C      -6.469002     -2.233810      1.511410
  C      -5.126948     -2.527902      1.246588
  C      -7.438178     -6.461571      6.350020
  N      -6.828710     -5.165687      6.063195
  C      -6.544202     -4.789035      4.668075
  C      -7.772988     -4.957279      3.758915
  C      -8.800468     -3.850685      3.857579
  C      -9.622146     -3.582091      2.759040
  C     -10.566960     -2.555813      2.800783
  C     -10.706670     -1.772022      3.950235
  C      -9.897121     -2.028756      5.048679
  C      -8.953628     -3.057228      5.003561
  C      -3.290175     -6.549622      8.163867
  N      -3.012050     -5.129394      8.015073
  C      -2.071088     -4.754158      6.959298
  C      -0.609288     -4.941758      7.426096
  C      -0.237800     -3.960729      8.503620
  C      -0.353572     -4.291617      9.862629
  C      -0.043835     -3.361723     10.856699
  C       0.385097     -2.078674     10.506159
  C       0.503206     -1.734986      9.154282
  C       0.194502     -2.669910      8.164464
  H       0.340004     -3.979148      1.686984
  H       1.249034     -2.430691      1.712252
  H      -0.086268     -2.647775      0.559315
  H      -0.358700     -2.486706      3.520341
  H      -2.522605     -1.911187      3.295234
  H      -2.523379     -2.538423      0.298152
  H      -2.120329     -0.939828      0.953307
  H      -3.805397      0.513118      1.787030
  H      -6.188069      1.038755      2.262084
  H      -7.913433     -0.740116      2.109105
  H      -7.218914     -3.010826      1.441391
  H      -4.834253     -3.540517      0.977475
  H      -7.452919     -6.595083      7.441811
  H      -8.486266     -6.477101      6.014194
  H      -6.927372     -7.343042      5.907493
  H      -5.952879     -5.075572      6.575961
  H      -6.335522     -3.709909      4.710109
  H      -7.406072     -4.996313      2.721804
  H      -8.262916     -5.929614      3.932278
  H      -9.507171     -4.181780      1.851717
  H     -11.190418     -2.362639      1.931667
  H     -11.440967     -0.965615      3.985857
  H      -9.996540     -1.420821      5.951038
  H      -8.326192     -3.264798      5.864502
  H      -2.380048     -7.081241      8.478162
  H      -3.670065     -7.034120      7.242839
  H      -4.042146     -6.687731      8.953654
  H      -3.883963     -4.629907      7.843010
  H      -2.232035     -3.679088      6.812021
  H       0.042972     -4.796668      6.550834
  H      -0.449069     -5.968964      7.783813
  H      -0.698626     -5.290127     10.139969
  H      -0.139479     -3.639083     11.910161
  H       0.628564     -1.350845     11.282166
  H       0.840840     -0.736067      8.869920
  H       0.289766     -2.396679      7.108590
  N      -3.956147     -2.952225      5.102248
  N      -4.752564     -1.903318      4.886701
  H      -4.534349     -1.064944      5.411132
  H      -4.996138     -1.689683      3.905413
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.913124297032
  N      -2.557352     -3.851009      2.685418
  C      -2.360294     -4.822651      1.610273
  C      -2.006842     -6.180283      2.207554
  N      -2.988926     -6.536390      3.255200
  C      -4.257745     -7.045647      2.692563
  C      -5.403916     -6.761104      3.651940
  N      -5.339161     -5.369885      4.092330
  Mo     -3.516774     -4.544390      4.300724
  N      -2.339158     -5.368814      5.643505
  C      -1.618440     -6.596474      5.301767
  C      -2.436773     -7.413132      4.309186
  H      -1.433521     -7.222340      6.189678
  H      -0.622107     -6.368079      4.873881
  H      -3.291557     -7.854393      4.839402
  H      -1.841064     -8.236591      3.873928
  H      -6.351544     -6.981984      3.129131
  H      -5.353934     -7.466448      4.504591
  H      -4.439560     -6.506687      1.753289
  H      -4.182230     -8.124447      2.461146
  H      -1.556165     -4.528390      0.922607
  H      -3.265631     -4.924704      0.978862
  H      -1.020564     -6.110711      2.688170
  H      -1.958483     -6.966206      1.430306
  C       0.244530     -2.860165      1.624603
  N      -0.655301     -2.240409      2.577987
  C      -2.098661     -2.479826      2.465229
  C      -2.667252     -1.860726      1.163124
  C      -4.118666     -1.539667      1.315934
  C      -4.502851     -0.213791      1.664997
  C      -5.824037      0.084061      1.910454
  C      -6.804599     -0.954132      1.806443
  C      -6.439835     -2.280076      1.448193
  C      -5.116899     -2.571817      1.211376
  C      -7.449846     -6.466552      6.349387
  N      -6.840500     -5.170654      6.068753
  C      -6.556055     -4.790305      4.678043
  C      -7.790040     -4.965551      3.773396
  C      -8.819106     -3.870271      3.875355
  C      -9.658730     -3.599521      2.767471
  C     -10.606926     -2.580469      2.811236
  C     -10.733221     -1.803041      3.967765
  C      -9.904757     -2.065911      5.079522
  C      -8.958594     -3.089152      5.032985
  C      -3.295238     -6.552958      8.166743
  N      -3.015246     -5.125840      8.019585
  C      -2.074453     -4.748533      6.961439
  C      -0.609370     -4.939353      7.423728
  C      -0.228679     -3.960694      8.501069
  C      -0.337611     -4.291237      9.853816
  C      -0.018332     -3.364594     10.848294
  C       0.413925     -2.085078     10.503962
  C       0.524717     -1.741494      9.159353
  C       0.206521     -2.673136      8.168896
  H       0.352245     -3.937611      1.693435
  H       1.238649     -2.447615      1.734093
  H      -0.084596     -2.628824      0.635968
  H      -0.383380     -2.487310      3.515733
  H      -2.521924     -1.904495      3.298180
  H      -2.510479     -2.539754      0.316463
  H      -2.101864     -0.938512      0.958942
  H      -3.743621      0.593154      1.760262
  H      -6.096901      1.120776      2.184495
  H      -7.837533     -0.737890      2.011107
  H      -7.195212     -3.083587      1.368663
  H      -4.838105     -3.605509      0.952127
  H      -7.465965     -6.608482      7.437912
  H      -8.496315     -6.478264      6.011978
  H      -6.942612     -7.343328      5.906029
  H      -5.964609     -5.079733      6.585132
  H      -6.350268     -3.711290      4.722483
  H      -7.427870     -5.000841      2.739321
  H      -8.277271     -5.938941      3.945350
  H      -9.555135     -4.193751      1.853661
  H     -11.244699     -2.385915      1.936072
  H     -11.470336     -1.001334      4.004475
  H      -9.994227     -1.464642      5.988234
  H      -8.316253     -3.303124      5.903065
  H      -2.385341     -7.091119      8.481889
  H      -3.676704     -7.036862      7.240893
  H      -4.046786     -6.690326      8.957659
  H      -3.889310     -4.619158      7.844338
  H      -2.236241     -3.669413      6.816745
  H       0.039944     -4.793800      6.546356
  H      -0.449079     -5.970342      7.779745
  H      -0.685182     -5.287013     10.126470
  H      -0.108863     -3.642112     11.896821
  H       0.664873     -1.359878     11.280301
  H       0.864577     -0.745189      8.879579
  H       0.297077     -2.398382      7.117834
  N      -3.967240     -2.951345      5.125265
  N      -4.775778     -1.893091      4.908651
  H      -4.554673     -1.052270      5.474962
  H      -5.005975     -1.676984      3.942996
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916104163633
  N      -2.547039     -3.853079      2.692702
  C      -2.336049     -4.822098      1.618818
  C      -1.985798     -6.181987      2.218473
  N      -2.976444     -6.540819      3.256540
  C      -4.241028     -7.054226      2.683642
  C      -5.393960     -6.774432      3.636939
  N      -5.333724     -5.383398      4.082500
  Mo     -3.514987     -4.551884      4.303743
  N      -2.346613     -5.374397      5.654571
  C      -1.620247     -6.600522      5.313598
  C      -2.428321     -7.418368      4.313520
  H      -1.439873     -7.228161      6.203061
  H      -0.621620     -6.368817      4.893195
  H      -3.284875     -7.865399      4.836029
  H      -1.826152     -8.237368      3.880318
  H      -6.338924     -6.995326      3.108726
  H      -5.346705     -7.482739      4.487346
  H      -4.419245     -6.514494      1.743413
  H      -4.159704     -8.132634      2.451738
  H      -1.525989     -4.524763      0.942043
  H      -3.234897     -4.924511      0.977968
  H      -1.004196     -6.112086      2.709402
  H      -1.929011     -6.967865      1.441959
  C       0.239867     -2.823098      1.644420
  N      -0.671912     -2.214829      2.592807
  C      -2.109133     -2.470938      2.478722
  C      -2.674229     -1.853210      1.183223
  C      -4.120452     -1.546986      1.320014
  C      -4.547861     -0.275580      1.664316
  C      -5.907176     -0.009213      1.909272
  C      -6.878767     -1.015210      1.806718
  C      -6.471690     -2.295072      1.453172
  C      -5.116007     -2.566365      1.219067
  C      -7.454968     -6.461873      6.344595
  N      -6.845926     -5.168025      6.056542
  C      -6.555045     -4.795504      4.662133
  C      -7.793082     -4.962155      3.763254
  C      -8.810616     -3.850133      3.864208
  C      -9.654152     -3.571126      2.772594
  C     -10.589794     -2.535083      2.817317
  C     -10.701515     -1.744094      3.952192
  C      -9.867693     -2.014975      5.048737
  C      -8.932539     -3.060411      5.006321
  C      -3.306518     -6.550083      8.170513
  N      -3.026043     -5.124742      8.024751
  C      -2.083469     -4.751773      6.971012
  C      -0.618893     -4.943687      7.434848
  C      -0.223291     -3.966499      8.506342
  C      -0.330230     -4.301820      9.861004
  C       0.006837     -3.380971     10.850148
  C       0.458443     -2.102434     10.496471
  C       0.567735     -1.754060      9.150112
  C       0.229335     -2.679555      8.166465
  H       0.352540     -3.914057      1.726566
  H       1.257789     -2.376347      1.761323
  H      -0.106227     -2.589589      0.620700
  H      -0.395684     -2.459729      3.524866
  H      -2.542465     -1.903048      3.306091
  H      -2.495058     -2.524974      0.350729
  H      -2.132679     -0.918934      0.984129
  H      -3.803633      0.497465      1.761577
  H      -6.217075      0.979177      2.181792
  H      -7.935728     -0.815766      2.012450
  H      -7.220397     -3.072854      1.375402
  H      -4.806682     -3.560306      0.965719
  H      -7.474285     -6.602676      7.433950
  H      -8.500065     -6.471215      6.003228
  H      -6.950025     -7.337669      5.910708
  H      -5.964063     -5.076768      6.575595
  H      -6.344053     -3.716919      4.700789
  H      -7.431153     -5.005378      2.727686
  H      -8.289098     -5.933538      3.944446
  H      -9.562039     -4.174193      1.873573
  H     -11.230681     -2.336606      1.957301
  H     -11.429294     -0.927676      3.988169
  H      -9.945589     -1.404009      5.940650
  H      -8.286940     -3.281987      5.866228
  H      -2.396174     -7.088556      8.492362
  H      -3.684150     -7.034527      7.243289
  H      -4.062408     -6.683757      8.953795
  H      -3.901329     -4.613911      7.849640
  H      -2.243108     -3.674457      6.822822
  H       0.027723     -4.808161      6.557602
  H      -0.464207     -5.971359      7.796509
  H      -0.691084     -5.297473     10.140460
  H      -0.083600     -3.662557     11.900946
  H       0.724775     -1.382237     11.268031
  H       0.923468     -0.758744      8.862153
  H       0.321547     -2.400527      7.111886
  N      -3.977425     -2.954022      5.118356
  N      -4.797931     -1.887531      4.873981
  H      -4.562472     -1.033367      5.445708
  H      -5.056691     -1.688098      3.905530
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916126696336
  N      -2.546949     -3.865905      2.684466
  C      -2.344923     -4.838480      1.607735
  C      -1.990853     -6.196299      2.207773
  N      -2.977240     -6.549251      3.255848
  C      -4.248703     -7.057727      2.691220
  C      -5.397164     -6.768372      3.649299
  N      -5.327578     -5.376526      4.090313
  Mo     -3.504114     -4.555480      4.300153
  N      -2.332765     -5.379163      5.648752
  C      -1.611463     -6.609286      5.308969
  C      -2.427792     -7.426785      4.314445
  H      -1.430800     -7.236500      6.197086
  H      -0.612446     -6.381117      4.885620
  H      -3.285625     -7.868698      4.843676
  H      -1.830497     -8.251898      3.880994
  H      -6.344844     -6.985528      3.125642
  H      -5.351840     -7.474498      4.502865
  H      -4.429164     -6.518218      1.749737
  H      -4.174302     -8.137655      2.460765
  H      -1.535161     -4.542242      0.920812
  H      -3.249744     -4.943008      0.972450
  H      -1.005305     -6.126865      2.691051
  H      -1.940888     -6.983681      1.431288
  C       0.251780     -2.853161      1.582512
  N      -0.654100     -2.231261      2.557367
  C      -2.099664     -2.486135      2.460328
  C      -2.683541     -1.870312      1.157582
  C      -4.154773     -1.552700      1.332486
  C      -4.568883     -0.256569      1.694970
  C      -5.919717      0.044978      1.971091
  C      -6.870120     -0.931009      1.887175
  C      -6.471187     -2.220638      1.517999
  C      -5.120558     -2.520354      1.249920
  C      -7.437841     -6.460972      6.356051
  N      -6.829753     -5.164853      6.067448
  C      -6.543974     -4.788087      4.671347
  C      -7.773332     -4.955572      3.758985
  C      -8.806602     -3.848595      3.849819
  C      -9.622750     -3.590639      2.749565
  C     -10.571783     -2.566899      2.783884
  C     -10.718219     -1.775306      3.932783
  C      -9.914994     -2.020918      5.031599
  C      -8.968010     -3.048243      4.996135
  C      -3.291140     -6.551264      8.176010
  N      -3.010627     -5.130887      8.022770
  C      -2.067062     -4.756636      6.964193
  C      -0.603544     -4.948458      7.431960
  C      -0.229275     -3.965802      8.506826
  C      -0.347840     -4.293705      9.868268
  C      -0.034840     -3.362924     10.863014
  C       0.401977     -2.082666     10.510401
  C       0.523908     -1.741904      9.155437
  C       0.210562     -2.677809      8.165557
  H       0.354401     -3.969642      1.676263
  H       1.260591     -2.406484      1.702999
  H      -0.085619     -2.624819      0.538044
  H      -0.360332     -2.484071      3.522467
  H      -2.526209     -1.909702      3.297753
  H      -2.524391     -2.553061      0.295582
  H      -2.130543     -0.945066      0.952967
  H      -3.809254      0.531482      1.781791
  H      -6.208409      1.068896      2.258145
  H      -7.924815     -0.713324      2.116044
  H      -7.225794     -3.006882      1.448861
  H      -4.829302     -3.547857      0.978049
  H      -7.453135     -6.596984      7.447572
  H      -8.485250     -6.474772      6.018277
  H      -6.927635     -7.342496      5.916737
  H      -5.953446     -5.072600      6.581660
  H      -6.336038     -3.709314      4.713167
  H      -7.399996     -4.995558      2.719401
  H      -8.264287     -5.926816      3.932723
  H      -9.503478     -4.195801      1.842642
  H     -11.193769     -2.379990      1.909260
  H     -11.455888     -0.970796      3.961942
  H     -10.019291     -1.407073      5.933317
  H      -8.345242     -3.248810      5.862649
  H      -2.385388     -7.082141      8.493141
  H      -3.668584     -7.038696      7.257804
  H      -4.043922     -6.686313      8.965304
  H      -3.877556     -4.631637      7.849846
  H      -2.226254     -3.679282      6.815748
  H       0.050841     -4.808963      6.557289
  H      -0.446805     -5.975130      7.793497
  H      -0.698745     -5.290109     10.147108
  H      -0.133594     -3.638176     11.917856
  H       0.648319     -1.354064     11.286519
  H       0.867662     -0.745492      8.869374
  H       0.308674     -2.406954      7.108334
  N      -3.951994     -2.955870      5.109658
  N      -4.745649     -1.909059      4.887941
  H      -4.528636     -1.102446      5.412425
  H      -5.015008     -1.697405      3.903677
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915442886482
  N      -2.540463     -3.847383      2.691106
  C      -2.347820     -4.815909      1.610157
  C      -2.004903     -6.176571      2.202216
  N      -2.992164     -6.530561      3.248804
  C      -4.263244     -7.031420      2.684778
  C      -5.405989     -6.743875      3.650507
  N      -5.326739     -5.357772      4.098316
  Mo     -3.500677     -4.540988      4.305113
  N      -2.339218     -5.383669      5.650289
  C      -1.624772     -6.613897      5.301758
  C      -2.445328     -7.418111      4.299530
  H      -1.450055     -7.246768      6.184812
  H      -0.623829     -6.388646      4.881720
  H      -3.304052     -7.861597      4.825189
  H      -1.851851     -8.241178      3.857055
  H      -6.357199     -6.952514      3.130672
  H      -5.360170     -7.455640      4.499599
  H      -4.444184     -6.488067      1.746769
  H      -4.191638     -8.109777      2.450273
  H      -1.534675     -4.524467      0.923434
  H      -3.253549     -4.910552      0.975470
  H      -1.018946     -6.116842      2.684852
  H      -1.960946     -6.959343      1.421603
  C       0.250792     -2.863327      1.583522
  N      -0.644992     -2.211280      2.542457
  C      -2.097611     -2.468654      2.454826
  C      -2.699053     -1.850603      1.147738
  C      -4.177063     -1.547157      1.325021
  C      -4.560256     -0.243990      1.697513
  C      -5.872202      0.044118      1.976266
  C      -6.860509     -0.992967      1.874395
  C      -6.482269     -2.271129      1.503688
  C      -5.164032     -2.552555      1.243489
  C      -7.400257     -6.446008      6.366323
  N      -6.816473     -5.137488      6.073992
  C      -6.538673     -4.774758      4.679418
  C      -7.763893     -4.960360      3.770232
  C      -8.801194     -3.862142      3.856151
  C      -9.624992     -3.612560      2.743602
  C     -10.578088     -2.595563      2.771619
  C     -10.720728     -1.798345      3.923286
  C      -9.908630     -2.036229      5.033734
  C      -8.960405     -3.051372      4.999423
  C      -3.300413     -6.541989      8.186320
  N      -2.999717     -5.131755      8.032678
  C      -2.064778     -4.768546      6.970332
  C      -0.610118     -4.971777      7.436235
  C      -0.239471     -3.984792      8.511836
  C      -0.353656     -4.303179      9.870545
  C      -0.041079     -3.367045     10.862741
  C       0.388598     -2.092173     10.512072
  C       0.503602     -1.760410      9.161559
  C       0.193085     -2.701809      8.171865
  H       0.358434     -3.965059      1.693910
  H       1.225307     -2.437413      1.680446
  H      -0.077476     -2.670616      0.575537
  H      -0.351358     -2.440775      3.520639
  H      -2.517931     -1.891106      3.298785
  H      -2.544103     -2.527354      0.281219
  H      -2.144666     -0.912989      0.934468
  H      -3.803235      0.541818      1.790619
  H      -6.148594      1.054938      2.267842
  H      -7.896168     -0.795363      2.101127
  H      -7.229200     -3.051253      1.433176
  H      -4.879278     -3.567063      0.978358
  H      -7.413607     -6.569743      7.459842
  H      -8.449469     -6.488532      6.029275
  H      -6.866545     -7.323503      5.925707
  H      -5.944448     -5.033448      6.575292
  H      -6.337759     -3.695965      4.718396
  H      -7.394178     -5.006419      2.734087
  H      -8.245484     -5.932125      3.948681
  H      -9.505677     -4.224577      1.837978
  H     -11.205839     -2.419071      1.895910
  H     -11.460569     -1.001463      3.949946
  H     -10.011567     -1.415890      5.934826
  H      -8.335225     -3.240311      5.864004
  H      -2.398272     -7.086550      8.497753
  H      -3.696410     -7.021090      7.272463
  H      -4.049268     -6.664137      8.976040
  H      -3.864110     -4.619547      7.872445
  H      -2.213196     -3.693748      6.824723
  H       0.044311     -4.839676      6.558651
  H      -0.460001     -5.998807      7.799639
  H      -0.699320     -5.295259     10.149089
  H      -0.135615     -3.635495     11.913955
  H       0.634380     -1.359175     11.286375
  H       0.841708     -0.768125      8.876692
  H       0.287273     -2.437619      7.119393
  N      -3.928507     -2.938060      5.110999
  N      -4.708518     -1.886266      4.884042
  H      -4.454096     -1.043125      5.404886
  H      -4.954670     -1.694407      3.894155
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916096808715
  N      -2.540400     -3.862516      2.691342
  C      -2.333884     -4.830960      1.617442
  C      -1.987769     -6.189429      2.217294
  N      -2.979356     -6.543971      3.255272
  C      -4.243562     -7.053941      2.682323
  C      -5.395936     -6.773284      3.633939
  N      -5.333315     -5.383138      4.080478
  Mo     -3.513429     -4.556731      4.301450
  N      -2.352286     -5.378888      5.654761
  C      -1.626342     -6.605806      5.314642
  C      -2.434523     -7.422139      4.313813
  H      -1.448389     -7.235408      6.203760
  H      -0.626614     -6.375149      4.895683
  H      -3.292120     -7.867927      4.835824
  H      -1.832459     -8.242746      3.881653
  H      -6.340351     -6.991600      3.103810
  H      -5.351841     -7.483459      4.483117
  H      -4.419238     -6.513169      1.742429
  H      -4.164140     -8.132509      2.449881
  H      -1.522303     -4.536661      0.940797
  H      -3.232221     -4.930091      0.976435
  H      -1.005867     -6.121165      2.707771
  H      -1.932953     -6.976088      1.441192
  C       0.240724     -2.842962      1.641847
  N      -0.663013     -2.227271      2.587127
  C      -2.099687     -2.484729      2.474046
  C      -2.669667     -1.868313      1.172020
  C      -4.128733     -1.548892      1.331282
  C      -4.536200     -0.242392      1.693501
  C      -5.877506      0.064611      1.961060
  C      -6.855020     -0.945397      1.868052
  C      -6.473465     -2.264853      1.496357
  C      -5.130938     -2.566739      1.236472
  C      -7.444627     -6.467089      6.341013
  N      -6.845863     -5.167947      6.053960
  C      -6.555143     -4.796710      4.657505
  C      -7.791020     -4.971295      3.756519
  C      -8.809920     -3.867272      3.858256
  C      -9.655652     -3.593189      2.759825
  C     -10.594839     -2.563769      2.802173
  C     -10.706206     -1.775442      3.942774
  C      -9.870585     -2.041685      5.045695
  C      -8.933459     -3.078139      5.002334
  C      -3.311525     -6.561826      8.170057
  N      -3.032248     -5.130291      8.025962
  C      -2.089977     -4.755240      6.969707
  C      -0.623283     -4.944687      7.433136
  C      -0.232671     -3.960409      8.500402
  C      -0.338336     -4.282575      9.857367
  C      -0.003977     -3.351633     10.838016
  C       0.442342     -2.076234     10.474898
  C       0.549650     -1.740885      9.126388
  C       0.214637     -2.676235      8.150891
  H       0.351223     -3.931982      1.729956
  H       1.249880     -2.398025      1.756146
  H      -0.101022     -2.617761      0.622778
  H      -0.388860     -2.465738      3.522317
  H      -2.527078     -1.913770      3.302511
  H      -2.502455     -2.544042      0.325054
  H      -2.116332     -0.944061      0.969922
  H      -3.783291      0.533590      1.782972
  H      -6.168785      1.086995      2.246217
  H      -7.897154     -0.718500      2.093539
  H      -7.233618     -3.052797      1.425219
  H      -4.840081     -3.595164      0.969081
  H      -7.466379     -6.602601      7.431104
  H      -8.489208     -6.489351      5.996870
  H      -6.926967     -7.340692      5.908714
  H      -5.964372     -5.069844      6.573656
  H      -6.346656     -3.717614      4.695850
  H      -7.433324     -5.014022      2.723128
  H      -8.282845     -5.942816      3.937796
  H      -9.563334     -4.195542      1.856821
  H     -11.237118     -2.370065      1.938700
  H     -11.436361     -0.964700      3.978513
  H      -9.949000     -1.432760      5.942835
  H      -8.287186     -3.294498      5.866300
  H      -2.400586     -7.105599      8.490641
  H      -3.687654     -7.045456      7.235851
  H      -4.070242     -6.699502      8.962023
  H      -3.908376     -4.618364      7.853828
  H      -2.250156     -3.676825      6.822025
  H       0.025979     -4.807842      6.556187
  H      -0.466904     -5.972330      7.796646
  H      -0.695373     -5.275435     10.144767
  H      -0.093219     -3.622712     11.891111
  H       0.706131     -1.348355     11.240383
  H       0.900993     -0.748225      8.831336
  H       0.305198     -2.408254      7.094676
  N      -3.967922     -2.951776      5.105579
  N      -4.776567     -1.873578      4.868652
  H      -4.566452     -0.998268      5.413780
  H      -4.998854     -1.681215      3.921038
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915289065471
  N      -2.545102     -3.846383      2.692975
  C      -2.337455     -4.813022      1.616563
  C      -1.986194     -6.173663      2.209688
  N      -2.974421     -6.532907      3.250319
  C      -4.243717     -7.039740      2.683195
  C      -5.393318     -6.758599      3.642170
  N      -5.328649     -5.370066      4.091622
  Mo     -3.505948     -4.547213      4.303830
  N      -2.338692     -5.379837      5.650314
  C      -1.614749     -6.604023      5.303443
  C      -2.425752     -7.416248      4.301379
  H      -1.435813     -7.236104      6.189530
  H      -0.616093     -6.370159      4.884348
  H      -3.281881     -7.865272      4.823388
  H      -1.825919     -8.234109      3.862179
  H      -6.340047     -6.974450      3.116346
  H      -5.347133     -7.470382      4.489579
  H      -4.425462     -6.496868      1.745088
  H      -4.165745     -8.117809      2.447636
  H      -1.528309     -4.513602      0.939110
  H      -3.238115     -4.914149      0.978060
  H      -1.002960     -6.105889      2.697873
  H      -1.933061     -6.957021      1.430233
  C       0.233264     -2.830526      1.630557
  N      -0.673703     -2.203362      2.585948
  C      -2.111400     -2.464075      2.476406
  C      -2.682641     -1.853418      1.179412
  C      -4.132691     -1.566289      1.311741
  C      -4.574943     -0.301214      1.656665
  C      -5.946537     -0.056322      1.889474
  C      -6.882209     -1.050606      1.776340
  C      -6.457205     -2.316493      1.420679
  C      -5.089168     -2.567291      1.197646
  C      -7.433040     -6.437432      6.372449
  N      -6.824653     -5.145590      6.072809
  C      -6.542895     -4.775739      4.675166
  C      -7.786587     -4.942625      3.781100
  C      -8.809068     -3.831642      3.878388
  C      -9.649700     -3.566604      2.784352
  C     -10.593702     -2.532000      2.817642
  C     -10.712768     -1.735829      3.952532
  C      -9.883346     -1.990040      5.050272
  C      -8.938479     -3.032520      5.016609
  C      -3.294853     -6.570296      8.164860
  N      -3.022382     -5.143683      8.022318
  C      -2.076549     -4.761771      6.968229
  C      -0.611011     -4.953334      7.436199
  C      -0.226139     -3.979145      8.516128
  C      -0.331065     -4.321989      9.872361
  C      -0.006860     -3.400423     10.868482
  C       0.427519     -2.111952     10.522359
  C       0.535230     -1.756406      9.172749
  C       0.211672     -2.682926      8.181743
  H       0.337655     -3.915993      1.726722
  H       1.257459     -2.384876      1.738657
  H      -0.112243     -2.613213      0.599992
  H      -0.389241     -2.444155      3.522779
  H      -2.548551     -1.896454      3.305465
  H      -2.500551     -2.524913      0.344715
  H      -2.145423     -0.922558      0.980468
  H      -3.821620      0.513489      1.768658
  H      -6.259182      0.942210      2.167132
  H      -7.946013     -0.866175      1.971613
  H      -7.204561     -3.124983      1.324929
  H      -4.776009     -3.569011      0.937280
  H      -7.446291     -6.568082      7.462124
  H      -8.477926     -6.450013      6.038669
  H      -6.931136     -7.316478      5.941656
  H      -5.939213     -5.056439      6.580960
  H      -6.325814     -3.695305      4.707059
  H      -7.429474     -4.990314      2.740599
  H      -8.283476     -5.913932      3.969790
  H      -9.553542     -4.173962      1.883635
  H     -11.233743     -2.341368      1.946728
  H     -11.447306     -0.920885      3.980921
  H      -9.966140     -1.374372      5.944365
  H      -8.293179     -3.241838      5.885903
  H      -2.388036     -7.097397      8.487064
  H      -3.660719     -7.054294      7.239541
  H      -4.055418     -6.714272      8.945998
  H      -3.897157     -4.641426      7.848614
  H      -2.238412     -3.681245      6.825134
  H       0.043078     -4.808149      6.561863
  H      -0.455654     -5.984797      7.792183
  H      -0.679742     -5.324432     10.146539
  H      -0.094512     -3.686831     11.920767
  H       0.682050     -1.390888     11.300953
  H       0.876636     -0.753595      8.891827
  H       0.299245     -2.400174      7.126037
  N      -3.951990     -2.947515      5.117375
  N      -4.752965     -1.886564      4.898839
  H      -4.525494     -1.050145      5.419815
  H      -5.064780     -1.675362      3.884428
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916393217743
  N      -2.543361     -3.857730      2.681867
  C      -2.350004     -4.829309      1.600847
  C      -1.998156     -6.186925      2.200984
  N      -2.983540     -6.535194      3.252526
  C      -4.256590     -7.040580      2.688255
  C      -5.403183     -6.750864      3.648348
  N      -5.328563     -5.359931      4.092691
  Mo     -3.503530     -4.542665      4.297809
  N      -2.337474     -5.372540      5.648868
  C      -1.618337     -6.603391      5.307256
  C      -2.436152     -7.415410      4.310287
  H      -1.440924     -7.234585      6.192480
  H      -0.617487     -6.377218      4.886540
  H      -3.295536     -7.856283      4.838112
  H      -1.840414     -8.241290      3.875742
  H      -6.351567     -6.964225      3.124276
  H      -5.359524     -7.460107      4.499900
  H      -4.436221     -6.498851      1.747663
  H      -4.184530     -8.120226      2.455852
  H      -1.539949     -4.536072      0.909471
  H      -3.258300     -4.929929      0.967671
  H      -1.010449     -6.120414      2.680421
  H      -1.953505     -6.974899      1.425049
  C       0.264084     -2.853120      1.569984
  N      -0.644506     -2.220858      2.542173
  C      -2.095343     -2.480881      2.452307
  C      -2.688012     -1.867455      1.148376
  C      -4.157298     -1.550795      1.334437
  C      -4.555101     -0.258044      1.703246
  C      -5.892867      0.036413      1.984955
  C      -6.864861     -0.969347      1.897496
  C      -6.477617     -2.247926      1.523817
  C      -5.138445     -2.537504      1.251193
  C      -7.419807     -6.447630      6.364307
  N      -6.826767     -5.144057      6.071733
  C      -6.544565     -4.772404      4.672766
  C      -7.771867     -4.951015      3.760044
  C      -8.813931     -3.850939      3.844828
  C      -9.623480     -3.614457      2.749081
  C     -10.578061     -2.604675      2.782396
  C     -10.735568     -1.804819      3.927739
  C      -9.938808     -2.025746      5.019692
  C      -8.985320     -3.039229      4.985569
  C      -3.300386     -6.536637      8.183790
  N      -3.007806     -5.124988      8.028334
  C      -2.067738     -4.755569      6.967640
  C      -0.606907     -4.957898      7.434309
  C      -0.230095     -3.978928      8.509721
  C      -0.349119     -4.307424      9.866300
  C      -0.035472     -3.378793     10.862097
  C       0.400400     -2.099829     10.516477
  C       0.522075     -1.758462      9.166403
  C       0.209890     -2.692538      8.174513
  H       0.368908     -3.977573      1.676733
  H       1.263813     -2.401409      1.691914
  H      -0.063739     -2.638208      0.523037
  H      -0.354308     -2.465141      3.516211
  H      -2.515481     -1.903983      3.296000
  H      -2.540602     -2.551205      0.281706
  H      -2.126398     -0.943615      0.936916
  H      -3.810188      0.514424      1.784783
  H      -6.175992      1.047665      2.272520
  H      -7.914470     -0.759382      2.131201
  H      -7.215946     -3.017043      1.457663
  H      -4.852897     -3.550460      0.977579
  H      -7.436743     -6.577082      7.458933
  H      -8.468538     -6.478065      6.023078
  H      -6.895302     -7.325596      5.928407
  H      -5.950257     -5.041753      6.582216
  H      -6.341064     -3.693723      4.711880
  H      -7.398650     -4.996727      2.718293
  H      -8.254952     -5.922205      3.938150
  H      -9.495517     -4.226475      1.846378
  H     -11.195142     -2.436505      1.912015
  H     -11.478283     -1.011403      3.956009
  H     -10.051230     -1.404685      5.917816
  H      -8.368579     -3.219419      5.846404
  H      -2.396900     -7.074424      8.498346
  H      -3.688667     -7.021667      7.270753
  H      -4.048132     -6.658896      8.971069
  H      -3.871688     -4.620855      7.860460
  H      -2.222222     -3.678126      6.822233
  H       0.046698     -4.822099      6.559661
  H      -0.455709     -5.984081      7.795058
  H      -0.700197     -5.302406     10.139983
  H      -0.133792     -3.654354     11.912557
  H       0.646418     -1.372727     11.293718
  H       0.864585     -0.762907      8.886076
  H       0.306934     -2.421314      7.121690
  N      -3.938761     -2.939117      5.102478
  N      -4.717863     -1.895432      4.887587
  H      -4.463841     -1.089738      5.426789
  H      -4.974543     -1.683857      3.915331
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.914776155835
  N      -2.542984     -3.861800      2.684829
  C      -2.341693     -4.832352      1.608941
  C      -1.993277     -6.190225      2.208415
  N      -2.981644     -6.542014      3.252985
  C      -4.251356     -7.047271      2.686324
  C      -5.398144     -6.763077      3.645425
  N      -5.325262     -5.374629      4.091140
  Mo     -3.502892     -4.553484      4.301461
  N      -2.339646     -5.382661      5.653547
  C      -1.620285     -6.612649      5.310283
  C      -2.436306     -7.424064      4.309949
  H      -1.443414     -7.244220      6.196551
  H      -0.619940     -6.384882      4.889661
  H      -3.295052     -7.867752      4.834810
  H      -1.838926     -8.247384      3.873684
  H      -6.346677     -6.976598      3.120665
  H      -5.353368     -7.474153      4.495012
  H      -4.430525     -6.505113      1.747121
  H      -4.177258     -8.126057      2.452601
  H      -1.529817     -4.537872      0.925729
  H      -3.243876     -4.933096      0.971004
  H      -1.008722     -6.123168      2.693774
  H      -1.944028     -6.977547      1.432103
  C       0.246295     -2.833787      1.612137
  N      -0.659294     -2.211798      2.556155
  C      -2.105633     -2.478199      2.453272
  C      -2.695371     -1.865848      1.142914
  C      -4.179117     -1.563415      1.320357
  C      -4.587103     -0.253451      1.694085
  C      -5.904180      0.052583      1.971986
  C      -6.864167     -0.964794      1.878563
  C      -6.475331     -2.270052      1.499222
  C      -5.155383     -2.566303      1.230101
  C      -7.406861     -6.456710      6.361395
  N      -6.816932     -5.152686      6.068606
  C      -6.537908     -4.786871      4.672829
  C      -7.768843     -4.965265      3.769960
  C      -8.797431     -3.859216      3.861876
  C      -9.644594     -3.581636      2.736524
  C     -10.593038     -2.546548      2.760457
  C     -10.711155     -1.756800      3.915192
  C      -9.874937     -2.029724      5.045314
  C      -8.932098     -3.064329      5.015133
  C      -3.300454     -6.549734      8.173100
  N      -3.008380     -5.130129      8.025000
  C      -2.069820     -4.763000      6.968905
  C      -0.611912     -4.964411      7.438087
  C      -0.235033     -3.978640      8.511171
  C      -0.353299     -4.295240      9.875756
  C      -0.036381     -3.359507     10.866961
  C       0.403230     -2.087732     10.507845
  C       0.524482     -1.758204      9.150669
  C       0.207069     -2.698428      8.164152
  H       0.369273     -3.928190      1.712374
  H       1.217994     -2.407608      1.717627
  H      -0.086691     -2.623887      0.616629
  H      -0.368699     -2.450980      3.518981
  H      -2.534564     -1.901672      3.284572
  H      -2.530050     -2.545232      0.281450
  H      -2.147187     -0.928543      0.931875
  H      -3.847970      0.524090      1.781662
  H      -6.197963      1.069323      2.264720
  H      -7.901027     -0.752371      2.111994
  H      -7.217051     -3.057962      1.429429
  H      -4.860321     -3.589952      0.955798
  H      -7.422843     -6.586762      7.452526
  H      -8.453453     -6.490340      6.021388
  H      -6.879077     -7.333170      5.926463
  H      -5.941298     -5.048860      6.575448
  H      -6.332611     -3.709122      4.707724
  H      -7.404817     -5.006357      2.734536
  H      -8.258616     -5.936710      3.950415
  H      -9.546132     -4.186455      1.826981
  H     -11.236283     -2.349785      1.878695
  H     -11.447377     -0.945140      3.938460
  H      -9.958356     -1.419503      5.950909
  H      -8.291688     -3.276269      5.888510
  H      -2.394349     -7.097131      8.490742
  H      -3.684855     -7.030959      7.246880
  H      -4.054703     -6.678345      8.963141
  H      -3.875145     -4.620292      7.859582
  H      -2.219680     -3.688486      6.822641
  H       0.044513     -4.831857      6.566508
  H      -0.464702     -5.991126      7.800947
  H      -0.706670     -5.285479     10.160340
  H      -0.135645     -3.626269     11.924272
  H       0.653055     -1.355620     11.280195
  H       0.871032     -0.767801      8.859002
  H       0.306043     -2.435416      7.105280
  N      -3.943497     -2.947104      5.103090
  N      -4.736473     -1.882949      4.874512
  H      -4.507810     -1.034079      5.411729
  H      -4.985477     -1.689447      3.916511
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915227540881
  N      -2.540352     -3.853232      2.686061
  C      -2.331102     -4.822047      1.613760
  C      -1.985517     -6.180113      2.214021
  N      -2.977661     -6.532560      3.251288
  C      -4.243631     -7.040142      2.680652
  C      -5.395440     -6.760037      3.634432
  N      -5.333478     -5.371080      4.082201
  Mo     -3.513123     -4.546122      4.297748
  N      -2.353008     -5.370357      5.652621
  C      -1.628251     -6.596956      5.310862
  C      -2.435749     -7.412278      4.308610
  H      -1.452074     -7.228227      6.198845
  H      -0.628227     -6.365687      4.893586
  H      -3.294223     -7.857805      4.828630
  H      -1.834299     -8.233035      3.876288
  H      -6.339989     -6.977592      3.104327
  H      -5.351720     -7.471277      4.482585
  H      -4.420433     -6.498605      1.741765
  H      -4.165452     -8.118311      2.446711
  H      -1.520132     -4.526073      0.938629
  H      -3.228272     -4.923388      0.972644
  H      -1.004317     -6.111450      2.705187
  H      -1.931344     -6.967804      1.439237
  C       0.240032     -2.835107      1.639609
  N      -0.664949     -2.213450      2.586324
  C      -2.101315     -2.473198      2.469498
  C      -2.667886     -1.859700      1.166626
  C      -4.126751     -1.557776      1.308652
  C      -4.546080     -0.260239      1.663806
  C      -5.901087      0.010079      1.902150
  C      -6.873010     -1.015932      1.788047
  C      -6.470956     -2.312371      1.423026
  C      -5.118279     -2.582466      1.190942
  C      -7.436706     -6.449393      6.347359
  N      -6.837233     -5.151983      6.057886
  C      -6.551716     -4.782015      4.662578
  C      -7.790795     -4.957603      3.771247
  C      -8.802009     -3.853331      3.880318
  C      -9.648104     -3.585937      2.799460
  C     -10.578595     -2.560813      2.854424
  C     -10.682871     -1.771364      3.988954
  C      -9.846888     -2.030410      5.073248
  C      -8.918813     -3.061809      5.015950
  C      -3.313014     -6.563849      8.168601
  N      -3.036472     -5.130165      8.025928
  C      -2.092759     -4.752206      6.971750
  C      -0.629392     -4.949428      7.436332
  C      -0.237739     -3.974176      8.515489
  C      -0.339074     -4.308354      9.867783
  C      -0.004780     -3.384133     10.856861
  C       0.435260     -2.103055     10.507480
  C       0.537292     -1.755795      9.164667
  C       0.204255     -2.684517      8.179960
  H       0.343339     -3.919755      1.728786
  H       1.250964     -2.394942      1.754373
  H      -0.095995     -2.612691      0.619911
  H      -0.390115     -2.454954      3.518293
  H      -2.534360     -1.904057      3.295205
  H      -2.493331     -2.533894      0.329330
  H      -2.119260     -0.929810      0.964169
  H      -3.774364      0.560781      1.772295
  H      -6.200301      1.026623      2.183647
  H      -7.925333     -0.816425      1.989678
  H      -7.239594     -3.131533      1.329373
  H      -4.820086     -3.601603      0.922456
  H      -7.457516     -6.582748      7.436326
  H      -8.480400     -6.471574      6.004249
  H      -6.919438     -7.323761      5.916699
  H      -5.956461     -5.055307      6.573833
  H      -6.340917     -3.703042      4.697674
  H      -7.444214     -5.003779      2.738699
  H      -8.282022     -5.928461      3.959756
  H      -9.561922     -4.190296      1.901355
  H     -11.219619     -2.371730      2.004447
  H     -11.406167     -0.964274      4.035138
  H      -9.919401     -1.420797      5.965715
  H      -8.272092     -3.272659      5.866222
  H      -2.403847     -7.101147      8.490955
  H      -3.683123     -7.048581      7.235742
  H      -4.074434     -6.707675      8.957224
  H      -3.915040     -4.618490      7.850483
  H      -2.249823     -3.672633      6.829775
  H       0.022550     -4.806244      6.558302
  H      -0.476159     -5.983602      7.791569
  H      -0.691586     -5.305475     10.144713
  H      -0.089071     -3.664350     11.905644
  H       0.698071     -1.380320     11.279977
  H       0.882817     -0.758133      8.880896
  H       0.289284     -2.407157      7.127987
  N      -3.965687     -2.939827      5.099345
  N      -4.777202     -1.856557      4.868151
  H      -4.576040     -0.986341      5.413303
  H      -5.043707     -1.653859      3.890936
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915819181277
  N      -2.540565     -3.849953      2.688607
  C      -2.339477     -4.818433      1.607867
  C      -1.989409     -6.178025      2.206220
  N      -2.978228     -6.530163      3.251925
  C      -4.250023     -7.034356      2.684223
  C      -5.399149     -6.748406      3.643755
  N      -5.328949     -5.358275      4.092637
  Mo     -3.503528     -4.541355      4.300450
  N      -2.339378     -5.374162      5.651526
  C      -1.618860     -6.602297      5.307632
  C      -2.433163     -7.412460      4.307148
  H      -1.442814     -7.235732      6.191865
  H      -0.617974     -6.373508      4.889786
  H      -3.292260     -7.856149      4.830734
  H      -1.835914     -8.235064      3.871641
  H      -6.346337     -6.961590      3.117875
  H      -5.355359     -7.460031      4.492362
  H      -4.429285     -6.490595      1.745396
  H      -4.175776     -8.113020      2.449023
  H      -1.527428     -4.522723      0.925093
  H      -3.243155     -4.917932      0.969581
  H      -1.004216     -6.110942      2.690845
  H      -1.940267     -6.964297      1.429509
  C       0.251715     -2.842219      1.592671
  N      -0.660806     -2.211760      2.564928
  C      -2.101881     -2.474579      2.466840
  C      -2.685732     -1.861723      1.171563
  C      -4.137490     -1.558541      1.338590
  C      -4.557178     -0.297309      1.705184
  C      -5.918159     -0.027977      1.974685
  C      -6.873451     -1.020318      1.872959
  C      -6.468403     -2.275505      1.497822
  C      -5.107567     -2.546377      1.237580
  C      -7.418780     -6.438721      6.376184
  N      -6.826173     -5.138310      6.075988
  C      -6.545351     -4.768913      4.675446
  C      -7.782403     -4.946334      3.769488
  C      -8.824025     -3.844672      3.852779
  C      -9.641739     -3.604416      2.752961
  C     -10.601456     -2.583623      2.770920
  C     -10.755533     -1.778689      3.904591
  C      -9.950734     -2.003866      5.004639
  C      -8.988570     -3.031401      4.986972
  C      -3.308142     -6.545431      8.180510
  N      -3.021160     -5.129184      8.028725
  C      -2.074164     -4.756556      6.969997
  C      -0.609570     -4.957136      7.437860
  C      -0.221411     -3.983344      8.511400
  C      -0.333131     -4.318500      9.862623
  C      -0.007172     -3.395910     10.851246
  C       0.436197     -2.112513     10.501915
  C       0.550464     -1.764697      9.157133
  C       0.225268     -2.692428      8.173546
  H       0.356590     -3.946741      1.695346
  H       1.281377     -2.383920      1.711486
  H      -0.086999     -2.624342      0.536808
  H      -0.377163     -2.452242      3.512989
  H      -2.530341     -1.903291      3.306379
  H      -2.526140     -2.533831      0.317757
  H      -2.136590     -0.939590      0.969887
  H      -3.810597      0.489017      1.802522
  H      -6.214847      0.970412      2.267061
  H      -7.925979     -0.818245      2.096797
  H      -7.205855     -3.053932      1.416157
  H      -4.810616     -3.547171      0.961117
  H      -7.434472     -6.562239      7.469816
  H      -8.465473     -6.469371      6.037307
  H      -6.899024     -7.315987      5.947364
  H      -5.942927     -5.036097      6.585228
  H      -6.336513     -3.688442      4.710617
  H      -7.414956     -4.994581      2.723738
  H      -8.269195     -5.917165      3.954836
  H      -9.520263     -4.219043      1.852932
  H     -11.227189     -2.411373      1.888953
  H     -11.504042     -0.975215      3.919425
  H     -10.059626     -1.378892      5.897701
  H      -8.359264     -3.217709      5.864617
  H      -2.405740     -7.078390      8.500213
  H      -3.685797     -7.031092      7.264464
  H      -4.062683     -6.673644      8.964340
  H      -3.891454     -4.622305      7.856687
  H      -2.230632     -3.675270      6.824046
  H       0.043527     -4.819347      6.562656
  H      -0.459210     -5.985112      7.797954
  H      -0.688991     -5.316035     10.139007
  H      -0.100231     -3.675684     11.900212
  H       0.692016     -1.390454     11.275427
  H       0.898441     -0.766658      8.873774
  H       0.317387     -2.416826      7.120954
  N      -3.941605     -2.939162      5.107826
  N      -4.723066     -1.889360      4.893872
  H      -4.483273     -1.078716      5.422121
  H      -4.990369     -1.677296      3.914434
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915793583637
  N      -2.545129     -3.863592      2.669845
  C      -2.351823     -4.834717      1.590957
  C      -2.001734     -6.191862      2.189615
  N      -2.986154     -6.535711      3.241980
  C      -4.262120     -7.036300      2.682080
  C      -5.403222     -6.749863      3.648015
  N      -5.323791     -5.361305      4.094506
  Mo     -3.498687     -4.545663      4.293149
  N      -2.329601     -5.374620      5.642939
  C      -1.614689     -6.607381      5.295191
  C      -2.439592     -7.418265      4.299489
  H      -1.433970     -7.239883      6.179428
  H      -0.616165     -6.381388      4.867776
  H      -3.298609     -7.857433      4.829896
  H      -1.846810     -8.245769      3.862410
  H      -6.354063     -6.960270      3.126957
  H      -5.357533     -7.461427      4.496867
  H      -4.444434     -6.491995      1.744188
  H      -4.193604     -8.115074      2.445870
  H      -1.543961     -4.540716      0.900338
  H      -3.259542     -4.934513      0.958910
  H      -1.013980     -6.126125      2.668351
  H      -1.959797     -6.981546      1.415076
  C       0.258244     -2.831565      1.582271
  N      -0.649331     -2.212314      2.533427
  C      -2.098540     -2.480300      2.435677
  C      -2.686722     -1.872202      1.122619
  C      -4.166384     -1.571723      1.303200
  C      -4.575344     -0.267829      1.668263
  C      -5.903988      0.031750      1.939116
  C      -6.848614     -0.968941      1.852253
  C      -6.463962     -2.273042      1.476554
  C      -5.134867     -2.565202      1.208922
  C      -7.401157     -6.445306      6.379193
  N      -6.805000     -5.143686      6.081817
  C      -6.531839     -4.772195      4.684528
  C      -7.765634     -4.950769      3.785134
  C      -8.799967     -3.848234      3.880896
  C      -9.632816     -3.596788      2.775564
  C     -10.584741     -2.577393      2.810496
  C     -10.719608     -1.774319      3.957316
  C      -9.902307     -2.017127      5.063672
  C      -8.953102     -3.039612      5.027994
  C      -3.285309     -6.549307      8.162589
  N      -2.995528     -5.132240      8.015913
  C      -2.056406     -4.758517      6.959922
  C      -0.600970     -4.962229      7.434967
  C      -0.240253     -3.981244      8.521598
  C      -0.379534     -4.310701      9.897036
  C      -0.084553     -3.381088     10.910862
  C       0.353100     -2.101538     10.565461
  C       0.497291     -1.759073      9.195062
  C       0.201286     -2.694045      8.186040
  H       0.380101     -3.939358      1.686783
  H       1.237586     -2.400975      1.695534
  H      -0.078047     -2.615682      0.571643
  H      -0.346694     -2.462518      3.509637
  H      -2.523090     -1.899353      3.268327
  H      -2.528392     -2.558172      0.263813
  H      -2.136948     -0.936200      0.904735
  H      -3.849388      0.502272      1.748877
  H      -6.198358      1.046114      2.224340
  H      -7.899660     -0.765246      2.083085
  H      -7.200470     -3.062538      1.405666
  H      -4.845535     -3.588253      0.931556
  H      -7.412429     -6.578260      7.469972
  H      -8.447148     -6.471875      6.045094
  H      -6.883945     -7.324109      5.943972
  H      -5.929659     -5.041377      6.585774
  H      -6.324936     -3.692954      4.722011
  H      -7.403874     -4.989165      2.745838
  H      -8.252205     -5.925696      3.966453
  H      -9.523299     -4.214157      1.875827
  H     -11.216390     -2.406683      1.946388
  H     -11.457674     -0.977526      3.990256
  H      -9.999091     -1.396098      5.962092
  H      -8.324281     -3.226028      5.885745
  H      -2.380011     -7.093958      8.478063
  H      -3.667254     -7.030316      7.237113
  H      -4.034946     -6.680110      8.953196
  H      -3.853387     -4.634110      7.850411
  H      -2.205926     -3.682478      6.818493
  H       0.063463     -4.822828      6.571044
  H      -0.456532     -5.991037      7.789557
  H      -0.732546     -5.306508     10.170312
  H      -0.199463     -3.657839     11.974881
  H       0.585617     -1.373433     11.355273
  H       0.842284     -0.762768      8.914702
  H       0.314273     -2.421833      7.120788
  N      -3.928106     -2.937029      5.093937
  N      -4.712479     -1.877196      4.866960
  H      -4.479606     -1.035705      5.412032
  H      -4.975822     -1.672580      3.875900
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915058110999
  N      -2.540169     -3.856552      2.686250
  C      -2.332013     -4.827241      1.613524
  C      -1.985865     -6.185043      2.216777
  N      -2.977853     -6.534131      3.256324
  C      -4.244954     -7.040444      2.684590
  C      -5.397023     -6.757603      3.636511
  N      -5.331783     -5.368400      4.083887
  Mo     -3.510665     -4.546597      4.300302
  N      -2.352714     -5.372453      5.658292
  C      -1.629741     -6.600560      5.319167
  C      -2.437614     -7.413557      4.316583
  H      -1.455113     -7.231829      6.207013
  H      -0.628748     -6.371558      4.903379
  H      -3.298166     -7.856425      4.836317
  H      -1.837007     -8.236202      3.886277
  H      -6.341479     -6.973463      3.105223
  H      -5.355925     -7.469137      4.485202
  H      -4.420040     -6.498279      1.745201
  H      -4.168866     -8.119145      2.450664
  H      -1.519301     -4.531942      0.935604
  H      -3.230241     -4.928664      0.972235
  H      -1.003846     -6.116753      2.706866
  H      -1.933137     -6.974356      1.443116
  C       0.245555     -2.837704      1.624914
  N      -0.659165     -2.217112      2.574828
  C      -2.100776     -2.477058      2.464907
  C      -2.676971     -1.863016      1.160934
  C      -4.145448     -1.556604      1.323256
  C      -4.553909     -0.243220      1.694894
  C      -5.885587      0.037887      1.952247
  C      -6.858456     -0.995090      1.844107
  C      -6.462629     -2.297305      1.465080
  C      -5.131775     -2.573902      1.214165
  C      -7.424984     -6.452855      6.352254
  N      -6.834639     -5.149748      6.060362
  C      -6.551368     -4.781977      4.662294
  C      -7.785257     -4.962182      3.762147
  C      -8.810371     -3.858124      3.859484
  C      -9.666219     -3.586249      2.749694
  C     -10.608585     -2.560896      2.791105
  C     -10.715769     -1.774074      3.941461
  C      -9.870345     -2.039466      5.053749
  C      -8.933275     -3.067043      5.007613
  C      -3.309723     -6.550686      8.181265
  N      -3.028736     -5.127098      8.034034
  C      -2.089856     -4.755416      6.977068
  C      -0.624998     -4.956373      7.438066
  C      -0.234544     -3.977072      8.509821
  C      -0.326220     -4.301235      9.851656
  C       0.010629     -3.370674     10.831535
  C       0.440879     -2.096656     10.484313
  C       0.531716     -1.758955      9.153195
  C       0.197673     -2.694415      8.176155
  H       0.350551     -3.930046      1.713016
  H       1.232575     -2.405004      1.739534
  H      -0.079767     -2.618973      0.616376
  H      -0.381908     -2.461149      3.521406
  H      -2.531557     -1.903366      3.294446
  H      -2.508874     -2.543454      0.312831
  H      -2.128398     -0.930407      0.954096
  H      -3.789082      0.567575      1.796529
  H      -6.179624      1.055545      2.243116
  H      -7.902155     -0.792581      2.062763
  H      -7.212551     -3.092543      1.381887
  H      -4.833269     -3.588070      0.938334
  H      -7.447373     -6.583612      7.445208
  H      -8.471802     -6.486564      6.004667
  H      -6.894822     -7.326530      5.922801
  H      -5.955834     -5.042381      6.576304
  H      -6.346912     -3.704689      4.696978
  H      -7.427845     -5.006588      2.727216
  H      -8.272395     -5.933137      3.947636
  H      -9.574936     -4.189223      1.843938
  H     -11.257366     -2.366138      1.920104
  H     -11.447622     -0.966733      3.977645
  H      -9.946685     -1.431338      5.954318
  H      -8.285750     -3.278518      5.870039
  H      -2.400512     -7.090502      8.499277
  H      -3.686962     -7.033889      7.255804
  H      -4.066202     -6.684844      8.970448
  H      -3.905769     -4.613721      7.863528
  H      -2.243942     -3.678351      6.833977
  H       0.024188     -4.816361      6.557325
  H      -0.468601     -5.988717      7.796919
  H      -0.671489     -5.293928     10.127176
  H      -0.065240     -3.643837     11.870153
  H       0.705345     -1.369136     11.248299
  H       0.869660     -0.765879      8.870827
  H       0.274636     -2.424476      7.134540
  N      -3.963584     -2.945685      5.103142
  N      -4.762088     -1.880906      4.879347
  H      -4.551947     -1.041365      5.419643
  H      -5.018505     -1.681593      3.940773
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915805982039
  N      -2.539191     -3.853456      2.675257
  C      -2.331701     -4.824604      1.601924
  C      -1.980649     -6.180296      2.207787
  N      -2.970402     -6.528746      3.250858
  C      -4.239446     -7.037108      2.685152
  C      -5.389979     -6.753534      3.642725
  N      -5.328019     -5.361793      4.087211
  Mo     -3.505106     -4.538533      4.289596
  N      -2.340867     -5.358681      5.647053
  C      -1.617040     -6.585365      5.307337
  C      -2.427825     -7.403928      4.310806
  H      -1.438572     -7.215744      6.194810
  H      -0.618038     -6.354524      4.887794
  H      -3.285971     -7.845705      4.834883
  H      -1.828926     -8.227589      3.881613
  H      -6.335530     -6.972749      3.115622
  H      -5.344137     -7.462640      4.493205
  H      -4.419978     -6.496363      1.745603
  H      -4.161696     -8.115845      2.452111
  H      -1.521313     -4.528259      0.922982
  H      -3.231228     -4.930639      0.962807
  H      -0.997565     -6.107078      2.695361
  H      -1.927870     -6.971417      1.436486
  C       0.249750     -2.841988      1.602354
  N      -0.661729     -2.214585      2.567776
  C      -2.100652     -2.476323      2.454901
  C      -2.677454     -1.863139      1.153982
  C      -4.133960     -1.559855      1.314747
  C      -4.558245     -0.288762      1.684596
  C      -5.924601     -0.019235      1.943428
  C      -6.903061     -1.043800      1.828387
  C      -6.490457     -2.304704      1.448461
  C      -5.121552     -2.567466      1.195952
  C      -7.412800     -6.435343      6.366540
  N      -6.821234     -5.139210      6.067655
  C      -6.543483     -4.771478      4.671285
  C      -7.784268     -4.950747      3.778613
  C      -8.810693     -3.848774      3.876750
  C      -9.642971     -3.599339      2.795807
  C     -10.591348     -2.573486      2.828564
  C     -10.720523     -1.776515      3.955027
  C      -9.898732     -2.015655      5.040380
  C      -8.949293     -3.048658      5.004938
  C      -3.322585     -6.541530      8.159152
  N      -3.036723     -5.113258      8.013864
  C      -2.084781     -4.740253      6.965394
  C      -0.626334     -4.944895      7.441831
  C      -0.230302     -3.984375      8.527118
  C      -0.361609     -4.327535      9.884591
  C      -0.033119     -3.414589     10.880958
  C       0.434324     -2.132755     10.530520
  C       0.570556     -1.778212      9.178985
  C       0.240315     -2.694635      8.190156
  H       0.349126     -3.933492      1.695679
  H       1.282894     -2.390554      1.727238
  H      -0.082784     -2.615864      0.558442
  H      -0.389210     -2.459020      3.494302
  H      -2.534435     -1.906660      3.286328
  H      -2.516218     -2.533479      0.303033
  H      -2.124876     -0.943864      0.954070
  H      -3.798860      0.512092      1.788345
  H      -6.226113      0.985651      2.239243
  H      -7.953183     -0.842904      2.043928
  H      -7.240640     -3.100363      1.357540
  H      -4.822536     -3.574722      0.911012
  H      -7.428474     -6.557967      7.456158
  H      -8.457337     -6.463504      6.027662
  H      -6.893849     -7.312011      5.939628
  H      -5.939070     -5.038331      6.579386
  H      -6.333782     -3.691794      4.703110
  H      -7.433565     -4.999591      2.737136
  H      -8.270030     -5.920043      3.969614
  H      -9.540549     -4.210654      1.899844
  H     -11.228619     -2.391586      1.958668
  H     -11.461470     -0.965660      3.982481
  H      -9.988598     -1.398255      5.930772
  H      -8.303893     -3.247954      5.874067
  H      -2.418663     -7.074303      8.485927
  H      -3.695119     -7.029561      7.234867
  H      -4.082063     -6.678529      8.939178
  H      -3.920406     -4.596412      7.830151
  H      -2.237703     -3.660219      6.821806
  H       0.030098     -4.804061      6.573529
  H      -0.486558     -5.974997      7.793207
  H      -0.737171     -5.323844     10.163414
  H      -0.143933     -3.699536     11.939247
  H       0.692055     -1.419042     11.311284
  H       0.937871     -0.780999      8.893574
  H       0.348970     -2.412195      7.129097
  N      -3.954446     -2.927475      5.086596
  N      -4.748132     -1.855984      4.868179
  H      -4.513639     -1.024059      5.422521
  H      -5.026311     -1.638322      3.886315
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915529105037
  N      -2.538225     -3.856993      2.685040
  C      -2.340278     -4.825585      1.604248
  C      -1.995142     -6.185314      2.200110
  N      -2.985421     -6.531375      3.246550
  C      -4.259301     -7.029098      2.678450
  C      -5.406068     -6.743170      3.639383
  N      -5.328233     -5.356319      4.092286
  Mo     -3.502735     -4.544240      4.300768
  N      -2.340705     -5.379660      5.650790
  C      -1.623697     -6.610435      5.302827
  C      -2.443542     -7.417722      4.301705
  H      -1.447103     -7.245207      6.185356
  H      -0.623187     -6.383176      4.881555
  H      -3.304503     -7.858740      4.826393
  H      -1.848927     -8.243252      3.864586
  H      -6.353949     -6.950220      3.112849
  H      -5.365606     -7.457217      4.485575
  H      -4.436620     -6.481599      1.741677
  H      -4.189762     -8.106902      2.439205
  H      -1.528329     -4.531430      0.919796
  H      -3.245025     -4.922738      0.966937
  H      -1.009664     -6.122226      2.683668
  H      -1.950469     -6.972532      1.423867
  C       0.256938     -2.832506      1.598090
  N      -0.654084     -2.208383      2.554403
  C      -2.095987     -2.478593      2.457042
  C      -2.680782     -1.870853      1.152381
  C      -4.147340     -1.575283      1.319843
  C      -4.569386     -0.304540      1.681678
  C      -5.918941     -0.019508      1.944199
  C      -6.852284     -0.993030      1.847711
  C      -6.456039     -2.270069      1.473268
  C      -5.109271     -2.557299      1.215670
  C      -7.419509     -6.443562      6.373828
  N      -6.822765     -5.139985      6.079588
  C      -6.541100     -4.766616      4.679410
  C      -7.777013     -4.940028      3.773898
  C      -8.809059     -3.838806      3.867696
  C      -9.630069     -3.589395      2.767166
  C     -10.578387     -2.574628      2.803829
  C     -10.717776     -1.777791      3.951386
  C      -9.912483     -2.013329      5.050241
  C      -8.963967     -3.033489      5.014311
  C      -3.298003     -6.566333      8.182219
  N      -3.016284     -5.147342      8.034573
  C      -2.071619     -4.764544      6.970707
  C      -0.604043     -4.961175      7.431868
  C      -0.235144     -3.978602      8.510489
  C      -0.333732     -4.308772      9.859959
  C      -0.023271     -3.377841     10.855611
  C       0.386307     -2.092157     10.519933
  C       0.485529     -1.748449      9.178026
  C       0.178884     -2.685646      8.184477
  H       0.374747     -3.942996      1.704625
  H       1.257047     -2.386194      1.719242
  H      -0.079023     -2.616339      0.564067
  H      -0.356875     -2.453885      3.522279
  H      -2.522977     -1.902904      3.292456
  H      -2.518253     -2.549747      0.300969
  H      -2.134429     -0.936648      0.941256
  H      -3.837787      0.472017      1.774625
  H      -6.218906      0.980561      2.229814
  H      -7.906971     -0.790227      2.069743
  H      -7.199097     -3.064865      1.388516
  H      -4.816338     -3.569356      0.937404
  H      -7.438920     -6.573683      7.468577
  H      -8.466211     -6.475277      6.030993
  H      -6.895941     -7.319996      5.941538
  H      -5.944135     -5.035676      6.589340
  H      -6.330094     -3.685925      4.718596
  H      -7.411964     -4.978017      2.733258
  H      -8.268334     -5.914177      3.952065
  H      -9.518975     -4.201447      1.862249
  H     -11.202817     -2.406466      1.939689
  H     -11.455038     -0.984076      3.984421
  H     -10.011391     -1.394805      5.951667
  H      -8.337918     -3.219416      5.877474
  H      -2.392898     -7.106896      8.493632
  H      -3.674832     -7.046875      7.257679
  H      -4.049974     -6.701896      8.977791
  H      -3.872500     -4.656922      7.871639
  H      -2.231218     -3.681195      6.829217
  H       0.053358     -4.813413      6.553207
  H      -0.443735     -5.996044      7.787735
  H      -0.662763     -5.308017     10.124551
  H      -0.101463     -3.655077     11.897417
  H       0.630132     -1.363037     11.297312
  H       0.806461     -0.748581      8.906126
  H       0.257120     -2.413280      7.138926
  N      -3.930608     -2.935654      5.104868
  N      -4.713315     -1.874578      4.880129
  H      -4.479162     -1.033601      5.417425
  H      -4.976668     -1.667443      3.878630
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.914626462175
  N      -2.549347     -3.856028      2.670234
  C      -2.352731     -4.827736      1.591958
  C      -1.999919     -6.185382      2.193053
  N      -2.983805     -6.532094      3.244804
  C      -4.259066     -7.035100      2.683385
  C      -5.402206     -6.750540      3.646819
  N      -5.326419     -5.361256      4.093368
  Mo     -3.501830     -4.542928      4.292782
  N      -2.334077     -5.371906      5.646018
  C      -1.616513     -6.603686      5.300822
  C      -2.436899     -7.413879      4.303341
  H      -1.436357     -7.236561      6.185706
  H      -0.616620     -6.376951      4.876359
  H      -3.296799     -7.853580      4.831244
  H      -1.842238     -8.240335      3.868127
  H      -6.352363     -6.963566      3.123739
  H      -5.356441     -7.462890      4.495642
  H      -4.441403     -6.490487      1.745735
  H      -4.188861     -8.113851      2.446855
  H      -1.544493     -4.532174      0.902035
  H      -3.260423     -4.928863      0.958642
  H      -1.012011     -6.118270      2.672758
  H      -1.956170     -6.974968      1.418702
  C       0.245427     -2.826242      1.582469
  N      -0.658828     -2.207938      2.534749
  C      -2.107168     -2.474855      2.438337
  C      -2.694013     -1.867461      1.132397
  C      -4.160743     -1.564102      1.310385
  C      -4.562087     -0.251776      1.684898
  C      -5.880711      0.029146      1.956918
  C      -6.837209     -0.993946      1.862383
  C      -6.453081     -2.297753      1.479173
  C      -5.134323     -2.574767      1.212808
  C      -7.391997     -6.444699      6.385021
  N      -6.806751     -5.139657      6.080642
  C      -6.536847     -4.775293      4.680966
  C      -7.770229     -4.960674      3.783694
  C      -8.807868     -3.856114      3.873333
  C      -9.655926     -3.601949      2.756283
  C     -10.611749     -2.575686      2.780857
  C     -10.740016     -1.767851      3.926039
  C      -9.906294     -2.014190      5.043905
  C      -8.954136     -3.042850      5.017970
  C      -3.287398     -6.532997      8.165522
  N      -2.998860     -5.121552      8.016788
  C      -2.063173     -4.756437      6.963929
  C      -0.610286     -4.964162      7.440778
  C      -0.237111     -3.984678      8.521348
  C      -0.378543     -4.315569      9.897076
  C      -0.068190     -3.388167     10.904307
  C       0.386368     -2.112167     10.553231
  C       0.531302     -1.767400      9.184183
  C       0.219851     -2.700375      8.181207
  H       0.358732     -3.926474      1.684131
  H       1.226898     -2.392060      1.690570
  H      -0.090821     -2.613493      0.569568
  H      -0.361448     -2.454454      3.507571
  H      -2.533019     -1.895443      3.270733
  H      -2.535627     -2.553750      0.282975
  H      -2.145049     -0.931456      0.914792
  H      -3.815816      0.545251      1.774534
  H      -6.168957      1.045668      2.249443
  H      -7.881466     -0.793705      2.095997
  H      -7.188923     -3.085769      1.406462
  H      -4.841479     -3.587885      0.934695
  H      -7.403823     -6.570760      7.476982
  H      -8.437856     -6.482016      6.049701
  H      -6.866773     -7.321825      5.955906
  H      -5.929337     -5.027840      6.583400
  H      -6.334780     -3.697215      4.714207
  H      -7.409568     -5.007490      2.743706
  H      -8.253266     -5.934244      3.972754
  H      -9.550699     -4.219519      1.857032
  H     -11.251886     -2.399047      1.910409
  H     -11.480492     -0.963941      3.949354
  H      -9.999143     -1.390208      5.937820
  H      -8.319106     -3.232571      5.876823
  H      -2.378550     -7.075859      8.484880
  H      -3.671173     -7.015438      7.243559
  H      -4.040206     -6.656757      8.951146
  H      -3.862232     -4.617312      7.848374
  H      -2.208813     -3.684426      6.820232
  H       0.048988     -4.832924      6.575409
  H      -0.468742     -5.989541      7.799992
  H      -0.744050     -5.309565     10.174587
  H      -0.184750     -3.666627     11.966634
  H       0.631545     -1.386562     11.335937
  H       0.889577     -0.772867      8.899669
  H       0.335616     -2.426497      7.117354
  N      -3.940147     -2.943706      5.095938
  N      -4.722631     -1.896454      4.879864
  H      -4.513325     -1.078374      5.398322
  H      -4.979656     -1.697415      3.933087
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915736887567
  N      -2.530607     -3.859341      2.683720
  C      -2.320180     -4.830214      1.612069
  C      -1.977676     -6.188426      2.216199
  N      -2.971672     -6.536198      3.254240
  C      -4.239632     -7.040691      2.684177
  C      -5.391595     -6.755840      3.637952
  N      -5.326155     -5.366258      4.086625
  Mo     -3.503377     -4.547736      4.296315
  N      -2.347329     -5.373240      5.654980
  C      -1.624682     -6.600866      5.314704
  C      -2.433166     -7.415687      4.313414
  H      -1.450266     -7.232556      6.202807
  H      -0.624547     -6.371789      4.898675
  H      -3.293012     -7.857948      4.833756
  H      -1.833969     -8.238538      3.883207
  H      -6.336006     -6.970431      3.106816
  H      -5.351323     -7.467345      4.486418
  H      -4.415590     -6.498265      1.745181
  H      -4.164227     -8.119234      2.449815
  H      -1.506428     -4.535563      0.938234
  H      -3.215668     -4.932807      0.969389
  H      -0.996897     -6.120037      2.708057
  H      -1.924669     -6.978438      1.443405
  C       0.251655     -2.845939      1.623601
  N      -0.659397     -2.214633      2.577335
  C      -2.098517     -2.478218      2.463828
  C      -2.677685     -1.867706      1.158104
  C      -4.146261     -1.563707      1.316538
  C      -4.573813     -0.257914      1.696412
  C      -5.927528      0.020613      1.955218
  C      -6.912826     -1.029588      1.833561
  C      -6.491526     -2.318602      1.445511
  C      -5.132457     -2.583464      1.194914
  C      -7.411888     -6.432058      6.363295
  N      -6.821600     -5.135677      6.064896
  C      -6.541895     -4.771347      4.667811
  C      -7.782281     -4.945448      3.772754
  C      -8.807061     -3.839948      3.868454
  C      -9.652173     -3.583647      2.772235
  C     -10.597432     -2.557589      2.807449
  C     -10.716046     -1.763100      3.945596
  C      -9.880016     -2.010590      5.045102
  C      -8.937209     -3.041039      5.004147
  C      -3.302040     -6.572906      8.161524
  N      -3.032287     -5.139468      8.023629
  C      -2.089821     -4.757180      6.972345
  C      -0.624925     -4.951376      7.438690
  C      -0.234942     -3.979708      8.517565
  C      -0.331865     -4.315501      9.863753
  C      -0.002238     -3.390442     10.850092
  C       0.427310     -2.107299     10.503815
  C       0.526003     -1.759230      9.166218
  C       0.198129     -2.688397      8.184899
  H       0.352272     -3.931846      1.713452
  H       1.257023     -2.406200      1.743211
  H      -0.068761     -2.629878      0.604993
  H      -0.388750     -2.454953      3.507977
  H      -2.534747     -1.908566      3.294929
  H      -2.506325     -2.543974      0.302881
  H      -2.130643     -0.944594      0.960166
  H      -3.823869      0.533955      1.801940
  H      -6.235851      1.036696      2.256439
  H      -7.964692     -0.827999      2.050761
  H      -7.230382     -3.105591      1.355649
  H      -4.821986     -3.596465      0.908464
  H      -7.431690     -6.555221      7.453510
  H      -8.456701     -6.462459      6.019973
  H      -6.887960     -7.306935      5.938297
  H      -5.940334     -5.034693      6.576047
  H      -6.327900     -3.694112      4.698417
  H      -7.428923     -4.995082      2.733834
  H      -8.272131     -5.912940      3.963768
  H      -9.554903     -4.192878      1.872005
  H     -11.242250     -2.370142      1.931111
  H     -11.452573     -0.953085      3.977544
  H      -9.962619     -1.396493      5.940468
  H      -8.288951     -3.245515      5.874231
  H      -2.392526     -7.099253      8.480533
  H      -3.667910     -7.056632      7.234810
  H      -4.059791     -6.723618      8.944272
  H      -3.925959     -4.620242      7.847256
  H      -2.251549     -3.679284      6.831247
  H       0.026931     -4.804302      6.565085
  H      -0.471263     -5.982306      7.791901
  H      -0.677475     -5.314869     10.138413
  H      -0.083648     -3.671165     11.897084
  H       0.685239     -1.383955     11.275082
  H       0.863115     -0.759320      8.885067
  H       0.278393     -2.410167      7.135379
  N      -3.949975     -2.933870      5.094515
  N      -4.748485     -1.856539      4.873347
  H      -4.500253     -1.005783      5.427580
  H      -5.039728     -1.646929      3.897184
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915941901948
  N      -2.541822     -3.852222      2.673930
  C      -2.338712     -4.823526      1.599139
  C      -1.985571     -6.177615      2.203474
  N      -2.974968     -6.523665      3.248656
  C      -4.243921     -7.030169      2.680276
  C      -5.394726     -6.748563      3.637345
  N      -5.329813     -5.358592      4.083530
  Mo     -3.508160     -4.534810      4.289737
  N      -2.344878     -5.358042      5.647843
  C      -1.621740     -6.585500      5.306828
  C      -2.433782     -7.400834      4.308505
  H      -1.443536     -7.217164      6.191573
  H      -0.622029     -6.354576      4.887602
  H      -3.293809     -7.841430      4.831777
  H      -1.835126     -8.225934      3.879210
  H      -6.339724     -6.965481      3.109256
  H      -5.350259     -7.458725      4.486786
  H      -4.422685     -6.486715      1.741704
  H      -4.167022     -8.108312      2.444562
  H      -1.529653     -4.527723      0.914604
  H      -3.241629     -4.929369      0.962538
  H      -1.001056     -6.105427      2.688089
  H      -1.935561     -6.968986      1.432499
  C       0.255122     -2.831503      1.595043
  N      -0.654753     -2.210940      2.553619
  C      -2.096721     -2.476022      2.447332
  C      -2.678804     -1.859540      1.146048
  C      -4.142458     -1.565073      1.318394
  C      -4.557236     -0.312536      1.686772
  C      -5.916670     -0.046222      1.949095
  C      -6.869525     -1.033901      1.844789
  C      -6.473991     -2.282356      1.464191
  C      -5.119376     -2.550439      1.204817
  C      -7.418566     -6.447342      6.361520
  N      -6.828156     -5.143423      6.067300
  C      -6.546777     -4.773836      4.668314
  C      -7.782516     -4.957408      3.772175
  C      -8.803251     -3.854549      3.873265
  C      -9.632145     -3.595854      2.793540
  C     -10.571222     -2.571736      2.836533
  C     -10.691184     -1.780799      3.970223
  C      -9.873851     -2.030266      5.054192
  C      -8.935276     -3.059764      5.009165
  C      -3.339556     -6.536586      8.178399
  N      -3.040374     -5.112816      8.026147
  C      -2.084448     -4.741563      6.970569
  C      -0.625991     -4.952349      7.441975
  C      -0.239108     -3.984048      8.523209
  C      -0.363063     -4.314215      9.875096
  C      -0.037791     -3.394986     10.866050
  C       0.416522     -2.119363     10.516939
  C       0.542072     -1.777122      9.172562
  C       0.217916     -2.700935      8.187119
  H       0.366162     -3.941018      1.698789
  H       1.267019     -2.384634      1.724751
  H      -0.078764     -2.604388      0.554650
  H      -0.370414     -2.458749      3.500903
  H      -2.524878     -1.903492      3.280040
  H      -2.525900     -2.532423      0.295935
  H      -2.125502     -0.928265      0.934979
  H      -3.799335      0.490089      1.787010
  H      -6.207813      0.949904      2.240762
  H      -7.918293     -0.844368      2.063493
  H      -7.237907     -3.098122      1.369378
  H      -4.837551     -3.559228      0.915936
  H      -7.440685     -6.573466      7.455266
  H      -8.463871     -6.483763      6.014352
  H      -6.889636     -7.322958      5.933500
  H      -5.949686     -5.031638      6.583461
  H      -6.342631     -3.692702      4.703556
  H      -7.429842     -5.001631      2.733649
  H      -8.269057     -5.929814      3.958098
  H      -9.536650     -4.203906      1.894450
  H     -11.206888     -2.389945      1.976562
  H     -11.424075     -0.974690      4.006390
  H      -9.956326     -1.416928      5.949987
  H      -8.293193     -3.260152      5.869171
  H      -2.440694     -7.082991      8.503454
  H      -3.721174     -7.023715      7.251718
  H      -4.096352     -6.662026      8.964623
  H      -3.903796     -4.609010      7.846061
  H      -2.232376     -3.657424      6.828202
  H       0.032149     -4.813486      6.568237
  H      -0.482971     -5.985378      7.795633
  H      -0.727787     -5.305638     10.151307
  H      -0.139801     -3.670988     11.917816
  H       0.672326     -1.399401     11.292869
  H       0.898414     -0.784988      8.888869
  H       0.319248     -2.428591      7.132170
  N      -3.953809     -2.927525      5.085179
  N      -4.745671     -1.857900      4.862281
  H      -4.528447     -1.015402      5.426003
  H      -4.982014     -1.644137      3.894923
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917335590134
  N      -2.539542     -3.853436      2.684824
  C      -2.337877     -4.821594      1.603723
  C      -1.993426     -6.184157      2.199270
  N      -2.983215     -6.534975      3.245195
  C      -4.258567     -7.032404      2.677144
  C      -5.404287     -6.747599      3.639388
  N      -5.324249     -5.360963      4.094616
  Mo     -3.497666     -4.549586      4.302100
  N      -2.337901     -5.389228      5.653222
  C      -1.621278     -6.620806      5.304232
  C      -2.440206     -7.424693      4.299556
  H      -1.445642     -7.256843      6.187395
  H      -0.619651     -6.394245      4.883899
  H      -3.301601     -7.868051      4.822835
  H      -1.845180     -8.248304      3.859634
  H      -6.353484     -6.953449      3.112697
  H      -5.364240     -7.464417      4.484162
  H      -4.437173     -6.483747      1.740891
  H      -4.190112     -8.110180      2.436693
  H      -1.523469     -4.526255      0.921114
  H      -3.241779     -4.917410      0.963398
  H      -1.007827     -6.122924      2.684078
  H      -1.948261     -6.969457      1.420641
  C       0.244883     -2.814646      1.593282
  N      -0.669273     -2.190322      2.546890
  C      -2.111925     -2.470042      2.453977
  C      -2.701440     -1.872379      1.148290
  C      -4.165029     -1.577375      1.310905
  C      -4.588172     -0.286439      1.678409
  C      -5.921968     -0.002275      1.945734
  C      -6.858885     -1.000276      1.846538
  C      -6.461241     -2.297786      1.469939
  C      -5.125954     -2.583309      1.211776
  C      -7.394614     -6.430731      6.391524
  N      -6.809505     -5.126918      6.082695
  C      -6.535230     -4.766847      4.680528
  C      -7.771986     -4.943701      3.779270
  C      -8.806921     -3.836814      3.864647
  C      -9.640283     -3.593075      2.758499
  C     -10.589967     -2.570698      2.784586
  C     -10.722463     -1.757954      3.924694
  C      -9.905072     -1.987807      5.027562
  C      -8.955637     -3.015804      5.004388
  C      -3.287162     -6.561512      8.174921
  N      -3.005888     -5.151318      8.030143
  C      -2.068334     -4.774332      6.971636
  C      -0.606432     -4.970692      7.439197
  C      -0.234557     -3.985483      8.515932
  C      -0.348566     -4.318156      9.881407
  C      -0.038892     -3.386947     10.884206
  C       0.388087     -2.102129     10.538549
  C       0.505324     -1.755546      9.179197
  C       0.195463     -2.692782      8.180208
  H       0.363527     -3.914008      1.701508
  H       1.242369     -2.363775      1.699969
  H      -0.096126     -2.612340      0.560381
  H      -0.370190     -2.425961      3.519459
  H      -2.543869     -1.895160      3.286452
  H      -2.529247     -2.554108      0.302271
  H      -2.162546     -0.934508      0.937534
  H      -3.857508      0.499443      1.774650
  H      -6.225152      1.003207      2.236140
  H      -7.906314     -0.789856      2.075261
  H      -7.188668     -3.081901      1.392869
  H      -4.817782     -3.589273      0.940798
  H      -7.409325     -6.551544      7.484933
  H      -8.440068     -6.470265      6.054069
  H      -6.867346     -7.308167      5.967684
  H      -5.928718     -5.018708      6.585054
  H      -6.325118     -3.688119      4.712103
  H      -7.407294     -4.993099      2.737059
  H      -8.262341     -5.914690      3.968141
  H      -9.533566     -4.214295      1.859255
  H     -11.221312     -2.402677      1.919370
  H     -11.460050     -0.956783      3.946539
  H     -10.000526     -1.357500      5.919774
  H      -8.326048     -3.199985      5.865773
  H      -2.377463     -7.101054      8.488879
  H      -3.665741     -7.039266      7.253345
  H      -4.042132     -6.693090      8.962551
  H      -3.863434     -4.657458      7.871110
  H      -2.224477     -3.698080      6.828392
  H       0.050003     -4.832741      6.565271
  H      -0.452774     -5.999758      7.800306
  H      -0.691654     -5.317817     10.154247
  H      -0.132197     -3.666500     11.937244
  H       0.632638     -1.373028     11.319063
  H       0.841460     -0.755336      8.899079
  H       0.288139     -2.417928      7.124581
  N      -3.924387     -2.945682      5.111000
  N      -4.704157     -1.897266      4.893507
  H      -4.469434     -1.075945      5.393789
  H      -5.002741     -1.701919      3.908626
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917458787809
  N      -2.543904     -3.858874      2.668951
  C      -2.345511     -4.833254      1.595029
  C      -1.994342     -6.188010      2.200948
  N      -2.980137     -6.528127      3.250214
  C      -4.254070     -7.030583      2.689336
  C      -5.399767     -6.744375      3.649287
  N      -5.330151     -5.353856      4.094618
  Mo     -3.506482     -4.536839      4.290163
  N      -2.337689     -5.357339      5.645713
  C      -1.617495     -6.585924      5.302660
  C      -2.436290     -7.403896      4.310740
  H      -1.434774     -7.216775      6.188986
  H      -0.619967     -6.357535      4.877307
  H      -3.294951     -7.840246      4.839749
  H      -1.841959     -8.232149      3.881322
  H      -6.347438     -6.959874      3.123519
  H      -5.355061     -7.454307      4.499220
  H      -4.434505     -6.486785      1.751984
  H      -4.183171     -8.109317      2.453457
  H      -1.539844     -4.538940      0.908730
  H      -3.250069     -4.938336      0.963093
  H      -1.008425     -6.117302      2.682494
  H      -1.949283     -6.981806      1.431175
  C       0.255291     -2.847980      1.600582
  N      -0.650853     -2.226559      2.556863
  C      -2.093777     -2.483148      2.446285
  C      -2.672406     -1.869555      1.142405
  C      -4.137683     -1.562526      1.315288
  C      -4.554141     -0.246850      1.699753
  C      -5.892135      0.025063      1.959959
  C      -6.863409     -1.018321      1.847163
  C      -6.454949     -2.314905      1.450132
  C      -5.115041     -2.574108      1.191637
  C      -7.404114     -6.441075      6.375772
  N      -6.814333     -5.140632      6.080041
  C      -6.541638     -4.767096      4.684002
  C      -7.779456     -4.947296      3.787090
  C      -8.817433     -3.849764      3.877718
  C      -9.661428     -3.603368      2.757249
  C     -10.623650     -2.583203      2.777714
  C     -10.764284     -1.781477      3.926044
  C      -9.932134     -2.020661      5.049871
  C      -8.973027     -3.042998      5.023478
  C      -3.292004     -6.548504      8.159739
  N      -3.015489     -5.117658      8.015496
  C      -2.074587     -4.744035      6.964421
  C      -0.613573     -4.950652      7.435458
  C      -0.228074     -3.983525      8.520938
  C      -0.349300     -4.322531      9.875632
  C      -0.026057     -3.401608     10.876449
  C       0.420263     -2.122478     10.537892
  C       0.543401     -1.769866      9.191458
  C       0.222464     -2.696030      8.194287
  H       0.356578     -3.940783      1.686174
  H       1.249128     -2.417181      1.724671
  H      -0.064874     -2.619719      0.590310
  H      -0.373408     -2.480368      3.499962
  H      -2.521062     -1.907683      3.280627
  H      -2.517849     -2.553987      0.286949
  H      -2.115708     -0.949194      0.934285
  H      -3.811351      0.542186      1.795915
  H      -6.193929      1.041226      2.259840
  H      -7.918048     -0.827502      2.069193
  H      -7.193325     -3.106658      1.361099
  H      -4.817694     -3.589300      0.895304
  H      -7.420617     -6.569257      7.465514
  H      -8.449172     -6.472270      6.035565
  H      -6.881844     -7.315458      5.945873
  H      -5.937474     -5.033251      6.588822
  H      -6.333676     -3.689082      4.720699
  H      -7.422899     -4.992312      2.747372
  H      -8.263587     -5.918792      3.974896
  H      -9.547178     -4.218222      1.855755
  H     -11.260333     -2.408631      1.895226
  H     -11.510301     -0.981539      3.949615
  H     -10.033263     -1.402383      5.948624
  H      -8.336209     -3.230928      5.895741
  H      -2.384542     -7.079508      8.479189
  H      -3.665481     -7.035169      7.234907
  H      -4.045533     -6.691195      8.948294
  H      -3.898418     -4.603195      7.833146
  H      -2.226680     -3.666612      6.824756
  H       0.041417     -4.805129      6.564599
  H      -0.464395     -5.983276      7.785343
  H      -0.708978     -5.318528     10.145095
  H      -0.126081     -3.685553     11.925061
  H       0.672695     -1.402959     11.318396
  H       0.893491     -0.772664      8.916138
  H       0.321448     -2.415235      7.142938
  N      -3.949918     -2.929487      5.090435
  N      -4.741626     -1.859966      4.877611
  H      -4.514963     -1.028810      5.448484
  H      -4.995333     -1.639585      3.916340
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915705724746
  N      -2.553356     -3.869699      2.669993
  C      -2.351442     -4.840657      1.597418
  C      -1.986063     -6.190525      2.204699
  N      -2.968379     -6.537146      3.253700
  C      -4.235941     -7.052716      2.692395
  C      -5.384216     -6.781889      3.652280
  N      -5.331412     -5.390680      4.096130
  Mo     -3.514891     -4.552788      4.291550
  N      -2.340817     -5.363374      5.650205
  C      -1.608369     -6.582874      5.305319
  C      -2.419474     -7.407102      4.314938
  H      -1.415458     -7.211639      6.190280
  H      -0.616469     -6.341809      4.876948
  H      -3.273670     -7.849739      4.843963
  H      -1.817965     -8.230191      3.887403
  H      -6.329223     -7.007284      3.125110
  H      -5.331239     -7.491872      4.501856
  H      -4.422896     -6.510867      1.755147
  H      -4.152091     -8.130626      2.456462
  H      -1.552745     -4.539860      0.905725
  H      -3.257934     -4.953980      0.970117
  H      -1.000456     -6.107778      2.685427
  H      -1.935009     -6.986756      1.438162
  C       0.254900     -2.864440      1.608541
  N      -0.650251     -2.243914      2.562592
  C      -2.098448     -2.494391      2.449830
  C      -2.677865     -1.861207      1.149879
  C      -4.147355     -1.536002      1.334740
  C      -4.543508     -0.228594      1.738207
  C      -5.884592      0.066746      2.008671
  C      -6.870422     -0.948392      1.886343
  C      -6.486016     -2.242473      1.471374
  C      -5.148124     -2.530828      1.202533
  C      -7.416784     -6.488750      6.364343
  N      -6.830180     -5.184681      6.078031
  C      -6.549800     -4.811541      4.682977
  C      -7.783844     -4.993702      3.786208
  C      -8.814334     -3.873032      3.864044
  C      -9.652516     -3.607544      2.766228
  C     -10.605587     -2.560000      2.779479
  C     -10.739475     -1.747334      3.893911
  C      -9.911904     -2.005797      4.995978
  C      -8.961853     -3.057443      4.978954
  C      -3.305419     -6.504173      8.177312
  N      -3.022278     -5.101949      8.013413
  C      -2.078091     -4.744209      6.967155
  C      -0.621274     -4.952024      7.437997
  C      -0.230421     -3.980587      8.515589
  C      -0.341739     -4.306154      9.863064
  C      -0.008859     -3.380118     10.849184
  C       0.436262     -2.107096     10.502139
  C       0.546763     -1.768057      9.164447
  C       0.218822     -2.699671      8.180767
  H       0.358162     -3.956286      1.691283
  H       1.250012     -2.448395      1.735352
  H      -0.062995     -2.625875      0.606683
  H      -0.374817     -2.505738      3.502164
  H      -2.525537     -1.925826      3.289351
  H      -2.534868     -2.541463      0.284699
  H      -2.107234     -0.946303      0.942995
  H      -3.780732      0.554362      1.844282
  H      -6.165763      1.086340      2.323949
  H      -7.916069     -0.735152      2.115425
  H      -7.234292     -3.016836      1.375640
  H      -4.868231     -3.546803      0.892274
  H      -7.443678     -6.616755      7.457420
  H      -8.463141     -6.526129      6.011931
  H      -6.881675     -7.361424      5.934816
  H      -5.955604     -5.072354      6.597482
  H      -6.347059     -3.733776      4.721624
  H      -7.422508     -5.053837      2.746369
  H      -8.272565     -5.962297      3.989773
  H      -9.544716     -4.230388      1.888385
  H     -11.241493     -2.371747      1.912917
  H     -11.480220     -0.923288      3.908434
  H     -10.006961     -1.378134      5.869611
  H      -8.323585     -3.259317      5.835037
  H      -2.398916     -7.024352      8.492240
  H      -3.687116     -6.994180      7.278854
  H      -4.056042     -6.629531      8.957811
  H      -3.903202     -4.604793      7.829988
  H      -2.221493     -3.670143      6.821590
  H       0.029846     -4.811533      6.564268
  H      -0.472904     -5.982817      7.790715
  H      -0.699798     -5.296917     10.138920
  H      -0.099647     -3.653629     11.893807
  H       0.695851     -1.383121     11.272895
  H       0.895190     -0.776325      8.882324
  H       0.310589     -2.429822      7.132848
  N      -3.976531     -2.951495      5.086694
  N      -4.774607     -1.876374      4.872471
  H      -4.566965     -1.045194      5.442579
  H      -5.024810     -1.648900      3.903217
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.915419659438
  N      -2.551715     -3.874758      2.667574
  C      -2.340476     -4.847079      1.598425
  C      -1.973424     -6.194592      2.212287
  N      -2.962541     -6.539744      3.254941
  C      -4.225780     -7.060298      2.685999
  C      -5.380026     -6.793383      3.640679
  N      -5.339437     -5.399350      4.080813
  Mo     -3.523602     -4.556379      4.287984
  N      -2.355844     -5.361174      5.655237
  C      -1.617197     -6.579645      5.314213
  C      -2.421100     -7.406789      4.322316
  H      -1.423768     -7.206045      6.200674
  H      -0.626552     -6.334335      4.886735
  H      -3.277909     -7.847782      4.848250
  H      -1.816291     -8.230817      3.901923
  H      -6.320823     -7.025558      3.109183
  H      -5.326505     -7.500508      4.492575
  H      -4.410662     -6.520622      1.746585
  H      -4.135799     -8.138157      2.452045
  H      -1.540292     -4.544934      0.907499
  H      -3.244811     -4.964767      0.967669
  H      -0.991674     -6.104507      2.700131
  H      -1.914357     -6.995317      1.451298
  C       0.264715     -2.881228      1.612460
  N      -0.642648     -2.263813      2.573018
  C      -2.088905     -2.504580      2.454328
  C      -2.653711     -1.861042      1.158014
  C      -4.116490     -1.510759      1.332224
  C      -4.498268     -0.226914      1.748047
  C      -5.852810      0.090917      2.006885
  C      -6.856981     -0.879821      1.852789
  C      -6.491057     -2.160338      1.426596
  C      -5.147164     -2.484600      1.172896
  C      -7.447714     -6.511930      6.340682
  N      -6.857024     -5.205433      6.062015
  C      -6.566567     -4.824705      4.665440
  C      -7.801901     -5.002367      3.763493
  C      -8.820030     -3.895907      3.864609
  C      -9.663059     -3.610776      2.778193
  C     -10.596973     -2.589792      2.838019
  C     -10.703657     -1.819858      3.982564
  C      -9.870695     -2.093958      5.069862
  C      -8.939415     -3.120979      5.008272
  C      -3.346785     -6.446491      8.187404
  N      -3.040509     -5.065255      8.009870
  C      -2.090286     -4.734019      6.969918
  C      -0.643324     -4.948229      7.446014
  C      -0.240949     -3.972969      8.513370
  C      -0.358120     -4.283070      9.864616
  C      -0.012870     -3.354565     10.837993
  C       0.452131     -2.091897     10.471922
  C       0.567191     -1.768825      9.131189
  C       0.226930     -2.702898      8.160753
  H       0.355465     -3.981410      1.679926
  H       1.266520     -2.473334      1.759160
  H      -0.038062     -2.623397      0.598854
  H      -0.376079     -2.540087      3.507900
  H      -2.514741     -1.939654      3.294745
  H      -2.517500     -2.541522      0.295373
  H      -2.065777     -0.951964      0.951582
  H      -3.712912      0.541009      1.884068
  H      -6.117531      1.101591      2.334421
  H      -7.897441     -0.638223      2.070857
  H      -7.249705     -2.904279      1.308161
  H      -4.880236     -3.490795      0.854727
  H      -7.486213     -6.643893      7.438046
  H      -8.494246     -6.549818      5.974873
  H      -6.906249     -7.383258      5.913574
  H      -5.983452     -5.088878      6.597323
  H      -6.364394     -3.744956      4.709464
  H      -7.444393     -5.039847      2.730349
  H      -8.292263     -5.976702      3.944691
  H      -9.576559     -4.202418      1.875620
  H     -11.240986     -2.388096      1.978619
  H     -11.431061     -1.015691      4.032319
  H      -9.943363     -1.498876      5.969738
  H      -8.288927     -3.344253      5.863679
  H      -2.440137     -6.979393      8.506964
  H      -3.750286     -6.938307      7.300588
  H      -4.093440     -6.540169      8.959395
  H      -3.915681     -4.568650      7.817401
  H      -2.216651     -3.664832      6.814921
  H       0.004445     -4.822812      6.573017
  H      -0.505122     -5.972286      7.805513
  H      -0.730736     -5.265205     10.155119
  H      -0.108657     -3.615707     11.888715
  H       0.721834     -1.365407     11.234269
  H       0.931016     -0.786288      8.833716
  H       0.325102     -2.445637      7.106585
  N      -4.001740     -2.958480      5.078966
  N      -4.800862     -1.877503      4.856431
  H      -4.629023     -1.048348      5.416851
  H      -5.052259     -1.645340      3.873262
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.911174030255
  N      -2.558050     -3.880322      2.648929
  C      -2.346818     -4.853324      1.576244
  C      -1.980195     -6.201263      2.192359
  N      -2.965975     -6.541220      3.243491
  C      -4.234177     -7.064305      2.681217
  C      -5.384964     -6.793475      3.642690
  N      -5.336705     -5.397254      4.080012
  Mo     -3.519329     -4.553620      4.273084
  N      -2.340886     -5.352001      5.639480
  C      -1.604247     -6.570887      5.299492
  C      -2.416996     -7.403146      4.313874
  H      -1.408297     -7.196488      6.185778
  H      -0.613254     -6.326924      4.869409
  H      -3.272648     -7.840820      4.846890
  H      -1.816422     -8.230082      3.893636
  H      -6.330073     -7.025989      3.117849
  H      -5.327374     -7.499022      4.496996
  H      -4.423857     -6.525452      1.740955
  H      -4.145422     -8.142566      2.448601
  H      -1.542267     -4.550771      0.886990
  H      -3.251892     -4.970098      0.943092
  H      -0.994749     -6.115154      2.674763
  H      -1.927910     -7.003039      1.432518
  C       0.274290     -2.871586      1.577647
  N      -0.638077     -2.267097      2.552914
  C      -2.090454     -2.509815      2.432860
  C      -2.655570     -1.867921      1.132309
  C      -4.122072     -1.543357      1.299447
  C      -4.509897     -0.289482      1.722076
  C      -5.861805      0.023073      1.984449
  C      -6.856901     -0.942274      1.817629
  C      -6.493881     -2.201819      1.380945
  C      -5.149649     -2.518825      1.124973
  C      -7.423417     -6.511798      6.343543
  N      -6.835935     -5.207215      6.062614
  C      -6.555041     -4.819103      4.671824
  C      -7.795957     -4.981346      3.781805
  C      -8.800719     -3.862882      3.899906
  C      -9.638375     -3.548243      2.834471
  C     -10.557459     -2.515564      2.910530
  C     -10.651725     -1.762721      4.051202
  C      -9.826079     -2.066273      5.117749
  C      -8.907880     -3.107222      5.042810
  C      -3.349693     -6.548482      8.183566
  N      -3.059425     -5.102496      8.024191
  C      -2.091664     -4.723540      6.962033
  C      -0.627231     -4.923177      7.429025
  C      -0.260512     -3.944627      8.520698
  C      -0.390020     -4.256322      9.869685
  C      -0.082666     -3.324385     10.869538
  C       0.360208     -2.054763     10.529854
  C       0.490173     -1.731373      9.189319
  C       0.183561     -2.667644      8.195477
  H       0.358776     -3.978376      1.641030
  H       1.295673     -2.459060      1.731768
  H      -0.036222     -2.599658      0.544498
  H      -0.372217     -2.550432      3.491648
  H      -2.516145     -1.941810      3.271039
  H      -2.510653     -2.537445      0.274283
  H      -2.079486     -0.944034      0.928103
  H      -3.731491      0.479016      1.869693
  H      -6.127178      1.021324      2.321400
  H      -7.885698     -0.702133      2.038764
  H      -7.241219     -2.938859      1.251950
  H      -4.876118     -3.503710      0.798557
  H      -7.445245     -6.651420      7.432209
  H      -8.465881     -6.541088      5.996392
  H      -6.897007     -7.383227      5.910119
  H      -5.962482     -5.094669      6.588739
  H      -6.349555     -3.738799      4.718536
  H      -7.446478     -5.008822      2.747735
  H      -8.292188     -5.956366      3.959446
  H      -9.564468     -4.127138      1.930631
  H     -11.201752     -2.289376      2.061031
  H     -11.370055     -0.945825      4.109572
  H      -9.888496     -1.483780      6.017024
  H      -8.256482     -3.354725      5.891646
  H      -2.435384     -7.118698      8.509701
  H      -3.746792     -7.046161      7.240097
  H      -4.094159     -6.661393      8.992266
  H      -3.925872     -4.600413      7.824203
  H      -2.243758     -3.630681      6.818404
  H       0.040077     -4.766037      6.548887
  H      -0.470487     -5.970545      7.775374
  H      -0.746171     -5.242712     10.139654
  H      -0.191065     -3.585647     11.921578
  H       0.600770     -1.324757     11.313865
  H       0.837226     -0.744112      8.912023
  H       0.289053     -2.408983      7.142086
  N      -3.991861     -2.958144      5.066772
  N      -4.770116     -1.881256      4.847205
  H      -4.616526     -1.070123      5.400989
  H      -5.026327     -1.640185      3.855916
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.913868084793
  N      -2.562723     -3.861801      2.664973
  C      -2.343853     -4.832959      1.591048
  C      -1.986550     -6.184313      2.204642
  N      -2.979466     -6.521448      3.251468
  C      -4.248661     -7.031308      2.678955
  C      -5.402594     -6.756566      3.635042
  N      -5.342573     -5.365154      4.084985
  Mo     -3.524199     -4.532004      4.286054
  N      -2.350156     -5.336420      5.649575
  C      -1.628685     -6.568661      5.315858
  C      -2.442985     -7.390913      4.323113
  H      -1.448727     -7.197693      6.202975
  H      -0.628329     -6.340594      4.894773
  H      -3.307861     -7.820065      4.849784
  H      -1.847922     -8.224892      3.905181
  H      -6.346268     -6.976872      3.104713
  H      -5.356228     -7.468582      4.483314
  H      -4.427615     -6.482989      1.742620
  H      -4.168649     -8.108308      2.437714
  H      -1.530243     -4.530051      0.912701
  H      -3.241961     -4.943657      0.947063
  H      -1.002730     -6.107585      2.690883
  H      -1.933799     -6.981807      1.440424
  C       0.261421     -2.821718      1.593359
  N      -0.656969     -2.234893      2.572892
  C      -2.100554     -2.488194      2.452346
  C      -2.660861     -1.864940      1.149928
  C      -4.120454     -1.574920      1.300339
  C      -4.533885     -0.324493      1.690259
  C      -5.873509     -0.026436      1.930357
  C      -6.828180     -1.011878      1.775538
  C      -6.445944     -2.271549      1.363736
  C      -5.102700     -2.558929      1.125962
  C      -7.432876     -6.489989      6.356065
  N      -6.841944     -5.185026      6.074686
  C      -6.561838     -4.792705      4.679470
  C      -7.799178     -4.963225      3.777105
  C      -8.824393     -3.854387      3.886115
  C      -9.642002     -3.562929      2.807049
  C     -10.578747     -2.542131      2.869015
  C     -10.709385     -1.780991      4.015884
  C      -9.906924     -2.060814      5.094772
  C      -8.969191     -3.090052      5.035686
  C      -3.315232     -6.543053      8.200657
  N      -3.053996     -5.102217      8.039155
  C      -2.093217     -4.716237      6.970487
  C      -0.624980     -4.924724      7.437288
  C      -0.240146     -3.959437      8.523049
  C      -0.374671     -4.294586      9.867990
  C      -0.037247     -3.385524     10.859214
  C       0.442298     -2.114305     10.515893
  C       0.576048     -1.766115      9.180073
  C       0.236386     -2.679674      8.196365
  H       0.353140     -3.936155      1.657263
  H       1.288523     -2.393241      1.751667
  H      -0.062425     -2.545332      0.545193
  H      -0.377084     -2.524077      3.516051
  H      -2.529983     -1.913608      3.280243
  H      -2.494991     -2.532981      0.311922
  H      -2.115534     -0.927543      0.947524
  H      -3.789695      0.463525      1.823929
  H      -6.161006      0.971450      2.239626
  H      -7.859527     -0.796655      1.979292
  H      -7.186735     -3.051286      1.228108
  H      -4.812129     -3.541357      0.810596
  H      -7.444984     -6.634846      7.442323
  H      -8.475177     -6.515390      6.020747
  H      -6.915454     -7.361091      5.915494
  H      -5.962610     -5.072904      6.597437
  H      -6.361905     -3.712382      4.729009
  H      -7.438968     -4.993044      2.734047
  H      -8.286647     -5.938122      3.953329
  H      -9.540030     -4.147424      1.895836
  H     -11.207384     -2.332538      2.006190
  H     -11.442727     -0.972240      4.060904
  H      -9.998384     -1.469576      5.999250
  H      -8.335370     -3.315480      5.896587
  H      -2.394085     -7.096723      8.508077
  H      -3.692219     -7.038627      7.261981
  H      -4.059732     -6.675026      9.029324
  H      -3.918276     -4.612963      7.858163
  H      -2.250171     -3.624626      6.828961
  H       0.036525     -4.780351      6.560048
  H      -0.475137     -5.963329      7.789237
  H      -0.755690     -5.283116     10.137498
  H      -0.147110     -3.666451     11.904637
  H       0.710491     -1.402821     11.290077
  H       0.951950     -0.777397      8.900294
  H       0.345015     -2.402502      7.147234
  N      -3.990147     -2.935985      5.086613
  N      -4.763532     -1.871411      4.868444
  H      -4.572093     -1.066655      5.450940
  H      -5.022889     -1.624768      3.875585
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.913230537739
  N      -2.547926     -3.856921      2.649540
  C      -2.339405     -4.835962      1.576175
  C      -1.993255     -6.192021      2.190428
  N      -2.986450     -6.522388      3.241169
  C      -4.264185     -7.018707      2.673257
  C      -5.410869     -6.725235      3.635138
  N      -5.334587     -5.330725      4.076806
  Mo     -3.503037     -4.523729      4.277263
  N      -2.333458     -5.345021      5.637131
  C      -1.627946     -6.587906      5.303534
  C      -2.456458     -7.399286      4.311573
  H      -1.454851     -7.217696      6.191359
  H      -0.625185     -6.374649      4.878355
  H      -3.325671     -7.817530      4.842776
  H      -1.873287     -8.240961      3.890809
  H      -6.359009     -6.939898      3.111398
  H      -5.367662     -7.431811      4.488164
  H      -4.440171     -6.471280      1.735924
  H      -4.199597     -8.096946      2.434879
  H      -1.523817     -4.542207      0.892744
  H      -3.241023     -4.939035      0.934731
  H      -1.007506     -6.123277      2.673392
  H      -1.948913     -6.989550      1.425269
  C       0.277128     -2.846120      1.554633
  N      -0.638435     -2.248992      2.541360
  C      -2.081647     -2.492478      2.428423
  C      -2.645338     -1.882369      1.123929
  C      -4.105842     -1.568986      1.288024
  C      -4.516326     -0.323972      1.700091
  C      -5.870615     -0.026602      1.958395
  C      -6.836077     -0.991778      1.797606
  C      -6.454482     -2.242598      1.368005
  C      -5.092822     -2.531064      1.116890
  C      -7.392303     -6.431317      6.386119
  N      -6.805785     -5.130907      6.077224
  C      -6.545025     -4.752261      4.679302
  C      -7.787285     -4.938302      3.786546
  C      -8.836741     -3.849556      3.890775
  C      -9.680188     -3.619886      2.816947
  C     -10.643501     -2.623679      2.869781
  C     -10.774669     -1.827026      4.007281
  C      -9.947567     -2.044550      5.080388
  C      -8.982995     -3.048740      5.031290
  C      -3.288353     -6.553445      8.186020
  N      -3.036527     -5.118212      8.028547
  C      -2.073646     -4.724425      6.958310
  C      -0.603445     -4.927457      7.425378
  C      -0.239179     -3.962852      8.527043
  C      -0.389414     -4.306955      9.881127
  C      -0.082567     -3.397625     10.900930
  C       0.380719     -2.118243     10.579842
  C       0.533330     -1.761431      9.232613
  C       0.223624     -2.675862      8.219726
  H       0.369219     -3.931350      1.597564
  H       1.288532     -2.446173      1.691518
  H      -0.036622     -2.582542      0.536898
  H      -0.367657     -2.525106      3.488710
  H      -2.503494     -1.908778      3.259998
  H      -2.489860     -2.561878      0.280623
  H      -2.090335     -0.954498      0.917482
  H      -3.764056      0.447452      1.840683
  H      -6.161899      0.954869      2.283268
  H      -7.894194     -0.785353      2.012443
  H      -7.223458     -3.030885      1.225506
  H      -4.807172     -3.518169      0.790390
  H      -7.391061     -6.565248      7.470504
  H      -8.432902     -6.457168      6.064545
  H      -6.884601     -7.309351      5.955961
  H      -5.928763     -5.015205      6.586181
  H      -6.348039     -3.670516      4.717781
  H      -7.430392     -4.972170      2.739157
  H      -8.258852     -5.916167      3.966811
  H      -9.577696     -4.229955      1.912297
  H     -11.291162     -2.461937      2.012980
  H     -11.528294     -1.039088      4.044564
  H     -10.040278     -1.424816      5.976076
  H      -8.334963     -3.227142      5.884286
  H      -2.377733     -7.083597      8.492939
  H      -3.634992     -7.042800      7.255231
  H      -4.047296     -6.708371      9.004948
  H      -3.893955     -4.637965      7.854095
  H      -2.234946     -3.630855      6.816978
  H       0.065069     -4.767282      6.549800
  H      -0.446790     -5.973527      7.767697
  H      -0.760014     -5.301381     10.134058
  H      -0.204423     -3.685639     11.950437
  H       0.623938     -1.405561     11.376137
  H       0.896713     -0.766097      8.970735
  H       0.341813     -2.390885      7.168668
  N      -3.947791     -2.925536      5.091225
  N      -4.709639     -1.880480      4.883454
  H      -4.486562     -1.096861      5.474073
  H      -4.974985     -1.647317      3.917213
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916801883026
  N      -2.552110     -3.861679      2.642204
  C      -2.356369     -4.842448      1.569688
  C      -2.006553     -6.197851      2.180818
  N      -2.990492     -6.530072      3.238616
  C      -4.272231     -7.024898      2.684456
  C      -5.410343     -6.730325      3.654020
  N      -5.328357     -5.339133      4.097533
  Mo     -3.497478     -4.530971      4.274522
  N      -2.319354     -5.349097      5.627234
  C      -1.615325     -6.590986      5.287082
  C      -2.451334     -7.406298      4.304017
  H      -1.433352     -7.218927      6.175639
  H      -0.616545     -6.376232      4.850519
  H      -3.314743     -7.827866      4.843506
  H      -1.869644     -8.246983      3.876339
  H      -6.362704     -6.941922      3.136141
  H      -5.364398     -7.438408      4.505736
  H      -4.455368     -6.478404      1.748335
  H      -4.211062     -8.103279      2.446247
  H      -1.548378     -4.550721      0.877618
  H      -3.265288     -4.948036      0.938779
  H      -1.017256     -6.130026      2.656415
  H      -1.969458     -6.994738      1.413624
  C       0.261850     -2.846746      1.540821
  N      -0.648695     -2.230819      2.512456
  C      -2.095673     -2.487776      2.409705
  C      -2.675382     -1.884571      1.103002
  C      -4.132461     -1.574278      1.280542
  C      -4.542475     -0.296712      1.669340
  C      -5.888185     -0.014617      1.945505
  C      -6.837041     -1.000987      1.836265
  C      -6.443915     -2.266478      1.436411
  C      -5.096273     -2.547261      1.164135
  C      -7.374303     -6.424517      6.401982
  N      -6.789063     -5.127663      6.091574
  C      -6.530939     -4.755086      4.698718
  C      -7.766100     -4.942814      3.809429
  C      -8.808642     -3.850192      3.904936
  C      -9.629659     -3.615629      2.804534
  C     -10.594403     -2.604655      2.829674
  C     -10.750663     -1.805920      3.976102
  C      -9.944774     -2.032479      5.080395
  C      -8.980165     -3.045681      5.052477
  C      -3.294206     -6.520722      8.140579
  N      -2.996311     -5.097599      7.994646
  C      -2.050406     -4.734845      6.944258
  C      -0.596335     -4.946905      7.425477
  C      -0.236254     -3.984195      8.533859
  C      -0.371372     -4.340096      9.889728
  C      -0.088814     -3.424922     10.927116
  C       0.328157     -2.129979     10.626791
  C       0.468963     -1.761380      9.275167
  C       0.191001     -2.683003      8.239965
  H       0.363058     -3.938917      1.622167
  H       1.276195     -2.416610      1.662291
  H      -0.071094     -2.614935      0.509875
  H      -0.362132     -2.489146      3.468646
  H      -2.518707     -1.904127      3.240245
  H      -2.525394     -2.569095      0.258773
  H      -2.122394     -0.958375      0.889837
  H      -3.795500      0.490796      1.771049
  H      -6.185756      0.977963      2.251626
  H      -7.895502     -0.804472      2.068523
  H      -7.201329     -3.070801      1.341696
  H      -4.808802     -3.556142      0.862730
  H      -7.378704     -6.546851      7.489772
  H      -8.417905     -6.453379      6.075591
  H      -6.859263     -7.305990      5.974950
  H      -5.915563     -5.022308      6.589829
  H      -6.330064     -3.675672      4.736990
  H      -7.413009     -4.994988      2.764551
  H      -8.241150     -5.914595      4.002001
  H      -9.507328     -4.227064      1.895554
  H     -11.219803     -2.436634      1.954215
  H     -11.501895     -1.011159      3.997211
  H     -10.058319     -1.413600      5.982818
  H      -8.353557     -3.224642      5.920470
  H      -2.393822     -7.064252      8.467899
  H      -3.679000     -7.006105      7.214370
  H      -4.048654     -6.648028      8.921170
  H      -3.860016     -4.586863      7.809543
  H      -2.192688     -3.659234      6.799434
  H       0.072793     -4.791676      6.559818
  H      -0.451731     -5.987413      7.765025
  H      -0.711342     -5.345900     10.130388
  H      -0.197476     -3.721996     11.974623
  H       0.545806     -1.411851     11.439478
  H       0.794889     -0.752967      9.030437
  H       0.293117     -2.389184      7.192889
  N      -3.927017     -2.920821      5.077190
  N      -4.690100     -1.862716      4.860385
  H      -4.458197     -1.056345      5.435082
  H      -4.931803     -1.641837      3.894453
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918795998513
  N      -2.544967     -3.862731      2.655692
  C      -2.350891     -4.837864      1.580960
  C      -2.001203     -6.193378      2.184989
  N      -2.982770     -6.528889      3.241542
  C      -4.262445     -7.024948      2.689311
  C      -5.401715     -6.735954      3.656088
  N      -5.320695     -5.349701      4.107177
  Mo     -3.495835     -4.536372      4.282086
  N      -2.317828     -5.352321      5.629884
  C      -1.605371     -6.585656      5.286231
  C      -2.437248     -7.404523      4.303107
  H      -1.417572     -7.213575      6.173301
  H      -0.609638     -6.361702      4.850476
  H      -3.296611     -7.832478      4.841437
  H      -1.851529     -8.240202      3.872188
  H      -6.352557     -6.943637      3.134002
  H      -5.359430     -7.449048      4.502835
  H      -4.446443     -6.476639      1.755338
  H      -4.198242     -8.102612      2.447909
  H      -1.545577     -4.543567      0.892579
  H      -3.258817     -4.942297      0.951870
  H      -1.012353     -6.127392      2.660709
  H      -1.964472     -6.987385      1.414736
  C       0.253570     -2.843913      1.574091
  N      -0.649359     -2.218189      2.527587
  C      -2.094424     -2.482896      2.425337
  C      -2.685722     -1.877927      1.116441
  C      -4.151528     -1.585853      1.300799
  C      -4.573515     -0.292603      1.677513
  C      -5.919961     -0.032775      1.954812
  C      -6.866661     -1.052178      1.866879
  C      -6.458930     -2.327234      1.476481
  C      -5.114197     -2.586001      1.196852
  C      -7.403461     -6.446433      6.379861
  N      -6.802553     -5.148181      6.092252
  C      -6.526420     -4.760805      4.700713
  C      -7.764178     -4.927440      3.798393
  C      -8.794931     -3.824916      3.892827
  C      -9.601093     -3.560029      2.771419
  C     -10.556376     -2.536759      2.792436
  C     -10.722901     -1.756498      3.954027
  C      -9.932844     -2.014620      5.079483
  C      -8.978509     -3.039517      5.054031
  C      -3.293892     -6.569604      8.140247
  N      -3.016992     -5.135608      8.001364
  C      -2.064507     -4.743435      6.954503
  C      -0.604743     -4.943531      7.435286
  C      -0.239879     -3.973716      8.530510
  C      -0.372813     -4.320374      9.891835
  C      -0.072718     -3.398661     10.907712
  C       0.359266     -2.108583     10.580498
  C       0.496780     -1.748397      9.223931
  C       0.200212     -2.676343      8.211127
  H       0.361146     -3.939698      1.677766
  H       1.256529     -2.403873      1.688840
  H      -0.087344     -2.626886      0.552527
  H      -0.351170     -2.471911      3.483460
  H      -2.520938     -1.903091      3.255189
  H      -2.534789     -2.561734      0.267377
  H      -2.139205     -0.949009      0.898391
  H      -3.838560      0.499489      1.757521
  H      -6.228089      0.967087      2.251946
  H      -7.924579     -0.867937      2.105792
  H      -7.199040     -3.132322      1.402771
  H      -4.818818     -3.600080      0.899646
  H      -7.433393     -6.572644      7.479939
  H      -8.454516     -6.475471      6.026190
  H      -6.873029     -7.323884      5.948916
  H      -5.927128     -5.053006      6.597460
  H      -6.310091     -3.682581      4.746827
  H      -7.406307     -4.973217      2.756657
  H      -8.257925     -5.897187      3.987511
  H      -9.470450     -4.161434      1.857616
  H     -11.164099     -2.350496      1.910616
  H     -11.463596     -0.957858      3.979354
  H     -10.055154     -1.413319      5.993599
  H      -8.367002     -3.238901      5.933713
  H      -2.405223     -7.078333      8.466063
  H      -3.641667     -7.054834      7.217860
  H      -4.059090     -6.738502      8.915063
  H      -3.880035     -4.643692      7.816620
  H      -2.221658     -3.661147      6.819884
  H       0.061341     -4.789998      6.570632
  H      -0.453798     -5.979448      7.781873
  H      -0.721366     -5.323688     10.151879
  H      -0.178919     -3.688967     11.958590
  H       0.593527     -1.387192     11.373206
  H       0.836263     -0.743477      8.957365
  H       0.305550     -2.390926      7.156388
  N      -3.929425     -2.923499      5.077648
  N      -4.707182     -1.852268      4.854879
  H      -4.503953     -1.022546      5.393581
  H      -4.919164     -1.631391      3.883420
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917674943617
  N      -2.538658     -3.852383      2.683330
  C      -2.332074     -4.823496      1.607938
  C      -1.983266     -6.181211      2.209620
  N      -2.973975     -6.524183      3.253982
  C      -4.246073     -7.023430      2.686732
  C      -5.394615     -6.743347      3.645325
  N      -5.326824     -5.357059      4.101692
  Mo     -3.503877     -4.537590      4.300506
  N      -2.335435     -5.361597      5.653189
  C      -1.616974     -6.591015      5.308640
  C      -2.436525     -7.404537      4.314832
  H      -1.432508     -7.221128      6.193426
  H      -0.620793     -6.362731      4.881451
  H      -3.298125     -7.836144      4.842291
  H      -1.845395     -8.235432      3.886243
  H      -6.339494     -6.953764      3.114575
  H      -5.354585     -7.458904      4.489417
  H      -4.425073     -6.473104      1.753283
  H      -4.173941     -8.100043      2.442659
  H      -1.523749     -4.524630      0.925675
  H      -3.234663     -4.928049      0.972468
  H      -0.999688     -6.112077      2.695292
  H      -1.936297     -6.973108      1.438531
  C       0.262857     -2.870853      1.611494
  N      -0.638606     -2.231548      2.568638
  C      -2.084178     -2.480107      2.465485
  C      -2.672175     -1.861297      1.160946
  C      -4.145836     -1.549507      1.339788
  C      -4.559399     -0.257727      1.744925
  C      -5.905733      0.013682      2.012496
  C      -6.866893     -0.984537      1.885136
  C      -6.473436     -2.270691      1.467876
  C      -5.132748     -2.547903      1.203661
  C      -7.433167     -6.470523      6.362236
  N      -6.833317     -5.165138      6.084601
  C      -6.545835     -4.775939      4.688576
  C      -7.779743     -4.946815      3.771095
  C      -8.822121     -3.850934      3.855947
  C      -9.639337     -3.597479      2.731390
  C     -10.603062     -2.580361      2.749767
  C     -10.769844     -1.788296      3.901682
  C      -9.966678     -2.032563      5.027534
  C      -9.004311     -3.053652      5.007400
  C      -3.307978     -6.560688      8.162504
  N      -3.019987     -5.125556      8.026770
  C      -2.076407     -4.749775      6.976642
  C      -0.618576     -4.951208      7.451171
  C      -0.224864     -3.970569      8.509913
  C      -0.357528     -4.285137      9.874925
  C      -0.015880     -3.356240     10.846222
  C       0.457900     -2.092226     10.469660
  C       0.589845     -1.762908      9.113274
  C       0.250150     -2.697786      8.146053
  H       0.355316     -3.969985      1.694200
  H       1.243078     -2.454042      1.736107
  H      -0.042566     -2.649412      0.608458
  H      -0.357000     -2.490676      3.521774
  H      -2.510214     -1.906905      3.308321
  H      -2.524157     -2.547184      0.295166
  H      -2.109428     -0.941130      0.952006
  H      -3.806978      0.526257      1.858292
  H      -6.198267      1.020844      2.333079
  H      -7.921698     -0.782005      2.114601
  H      -7.222270     -3.056995      1.365795
  H      -4.848705     -3.566897      0.889253
  H      -7.466973     -6.605539      7.461885
  H      -8.483256     -6.503816      6.004063
  H      -6.898623     -7.342257      5.926762
  H      -5.956539     -5.060047      6.603619
  H      -6.333518     -3.697819      4.739348
  H      -7.410664     -4.987989      2.731315
  H      -8.269667     -5.918413      3.951676
  H      -9.505786     -4.206535      1.827990
  H     -11.217515     -2.406185      1.872655
  H     -11.516660     -0.994241      3.924509
  H     -10.088836     -1.421068      5.930533
  H      -8.387508     -3.244003      5.879623
  H      -2.390190     -7.120818      8.476115
  H      -3.714631     -7.040533      7.225633
  H      -4.046362     -6.687201      8.959304
  H      -3.890780     -4.614404      7.838806
  H      -2.226809     -3.671975      6.838278
  H       0.029495     -4.824506      6.584193
  H      -0.470532     -5.968015      7.817590
  H      -0.735230     -5.269577     10.171367
  H      -0.122127     -3.622170     11.900709
  H       0.728093     -1.367074     11.224361
  H       0.961361     -0.778457      8.808433
  H       0.359899     -2.437009      7.085751
  N      -3.954914     -2.937804      5.107774
  N      -4.743187     -1.876143      4.896660
  H      -4.524639     -1.066372      5.466007
  H      -4.991350     -1.644416      3.927359
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.916161840260
  N      -2.545426     -3.856235      2.680099
  C      -2.336119     -4.825948      1.602684
  C      -1.981495     -6.183270      2.206299
  N      -2.974147     -6.532571      3.247182
  C      -4.244124     -7.039404      2.675913
  C      -5.395772     -6.765922      3.634571
  N      -5.338624     -5.375291      4.087018
  Mo     -3.515165     -4.549285      4.295322
  N      -2.347614     -5.374762      5.650896
  C      -1.616921     -6.595929      5.301260
  C      -2.432835     -7.412265      4.307211
  H      -1.423901     -7.226690      6.184200
  H      -0.624924     -6.357575      4.871411
  H      -3.291209     -7.849428      4.833861
  H      -1.836634     -8.237434      3.878584
  H      -6.339685     -6.984821      3.103137
  H      -5.349614     -7.479310      4.481301
  H      -4.425272     -6.490752      1.740902
  H      -4.165432     -8.116017      2.433608
  H      -1.530408     -4.524581      0.916400
  H      -3.241413     -4.933640      0.968785
  H      -0.998902     -6.106523      2.695087
  H      -1.928039     -6.976042      1.437248
  C       0.264838     -2.890392      1.613416
  N      -0.639876     -2.250896      2.577484
  C      -2.087575     -2.489766      2.470031
  C      -2.664557     -1.864431      1.170988
  C      -4.126320     -1.536162      1.339141
  C      -4.532708     -0.251361      1.762688
  C      -5.868610      0.030345      2.023829
  C      -6.843087     -0.960630      1.867248
  C      -6.464089     -2.256939      1.431358
  C      -5.133786     -2.544390      1.179611
  C      -7.434848     -6.492833      6.350614
  N      -6.843420     -5.183690      6.070980
  C      -6.559982     -4.794282      4.674740
  C      -7.798738     -4.958377      3.764189
  C      -8.826615     -3.856785      3.860237
  C      -9.672907     -3.583878      2.746843
  C     -10.620513     -2.558742      2.784516
  C     -10.745192     -1.772099      3.932290
  C      -9.909390     -2.033115      5.045232
  C      -8.963224     -3.064767      5.007307
  C      -3.271273     -6.528562      8.194161
  N      -3.032397     -5.126286      8.030631
  C      -2.089817     -4.752358      6.969921
  C      -0.618988     -4.940613      7.428118
  C      -0.233190     -3.957839      8.495309
  C      -0.368142     -4.266015      9.860122
  C      -0.041756     -3.331540     10.842004
  C       0.422725     -2.069155     10.472359
  C       0.556784     -1.747201      9.117318
  C       0.229071     -2.686191      8.142098
  H       0.337086     -4.004334      1.686799
  H       1.257519     -2.462257      1.760208
  H      -0.021931     -2.657661      0.584023
  H      -0.377079     -2.513698      3.518641
  H      -2.512155     -1.923046      3.319743
  H      -2.516247     -2.550582      0.305960
  H      -2.090143     -0.951456      0.970278
  H      -3.767855      0.530591      1.902272
  H      -6.145346      1.044242      2.361499
  H      -7.881501     -0.740675      2.089743
  H      -7.218129     -3.032423      1.309390
  H      -4.856689     -3.560145      0.857830
  H      -7.447101     -6.642608      7.431071
  H      -8.471764     -6.519013      6.018648
  H      -6.924974     -7.358970      5.909721
  H      -5.966724     -5.069721      6.592761
  H      -6.344820     -3.715247      4.725435
  H      -7.435219     -4.992042      2.730294
  H      -8.294144     -5.931516      3.936975
  H      -9.569712     -4.185173      1.844564
  H     -11.258855     -2.366769      1.913553
  H     -11.480816     -0.967164      3.966433
  H      -9.998154     -1.424611      5.942121
  H      -8.323281     -3.273718      5.868302
  H      -2.326072     -7.062312      8.482193
  H      -3.661157     -7.014128      7.287674
  H      -4.009276     -6.648873      9.008555
  H      -3.920097     -4.641472      7.859040
  H      -2.252310     -3.670976      6.823137
  H       0.028389     -4.792709      6.548417
  H      -0.451557     -5.970396      7.785876
  H      -0.740678     -5.249028     10.152893
  H      -0.155783     -3.591080     11.902391
  H       0.680386     -1.339548     11.236156
  H       0.920439     -0.763830      8.817508
  H       0.342626     -2.428860      7.079939
  N      -3.979775     -2.956136      5.109930
  N      -4.780732     -1.898846      4.908031
  H      -4.539263     -1.095010      5.520266
  H      -5.065682     -1.661916      3.952237
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917470882490
  N      -2.551223     -3.863110      2.660691
  C      -2.345875     -4.836007      1.590214
  C      -1.986598     -6.186446      2.200246
  N      -2.974582     -6.529025      3.247318
  C      -4.244081     -7.039682      2.682482
  C      -5.393540     -6.762717      3.641446
  N      -5.334716     -5.370845      4.084445
  Mo     -3.515038     -4.541141      4.281943
  N      -2.345615     -5.352782      5.642728
  C      -1.618024     -6.578910      5.301959
  C      -2.431673     -7.400718      4.311568
  H      -1.429996     -7.207333      6.188221
  H      -0.623251     -6.344100      4.874534
  H      -3.291717     -7.833985      4.840514
  H      -1.836231     -8.230592      3.887464
  H      -6.338709     -6.985545      3.114108
  H      -5.344443     -7.471333      4.492369
  H      -4.427820     -6.495245      1.745338
  H      -4.164626     -8.117534      2.444630
  H      -1.542570     -4.536818      0.902381
  H      -3.250006     -4.947888      0.959094
  H      -1.003042     -6.106987      2.685745
  H      -1.933225     -6.982908      1.434263
  C       0.242595     -2.839403      1.610781
  N      -0.661546     -2.229174      2.562922
  C      -2.096557     -2.488251      2.442532
  C      -2.664480     -1.871185      1.143820
  C      -4.125446     -1.567459      1.309468
  C      -4.546243     -0.287248      1.705500
  C      -5.884565      0.003170      1.958541
  C      -6.864945     -1.027253      1.814604
  C      -6.467246     -2.308218      1.397647
  C      -5.108010     -2.560563      1.151213
  C      -7.409778     -6.469275      6.365273
  N      -6.823620     -5.167792      6.071405
  C      -6.550171     -4.789024      4.676161
  C      -7.788846     -4.963204      3.783001
  C      -8.806306     -3.852492      3.886353
  C      -9.641441     -3.565877      2.789884
  C     -10.575970     -2.537315      2.840694
  C     -10.694265     -1.764741      3.991404
  C      -9.872606     -2.039002      5.085879
  C      -8.940061     -3.072073      5.032065
  C      -3.303877     -6.495999      8.170453
  N      -3.032337     -5.091195      8.005818
  C      -2.084593     -4.735795      6.960193
  C      -0.631302     -4.946456      7.440813
  C      -0.247164     -3.980225      8.526701
  C      -0.361907     -4.318080      9.872802
  C      -0.035818     -3.399052     10.868143
  C       0.408696     -2.119792     10.529580
  C       0.522408     -1.768819      9.193204
  C       0.197852     -2.692722      8.203509
  H       0.346092     -3.939200      1.697992
  H       1.245933     -2.408964      1.748373
  H      -0.085973     -2.593487      0.586766
  H      -0.381365     -2.495272      3.504020
  H      -2.527042     -1.914008      3.267648
  H      -2.506612     -2.551005      0.299491
  H      -2.112453     -0.945891      0.935155
  H      -3.809394      0.487227      1.821006
  H      -6.176919      1.017573      2.272162
  H      -7.919887     -0.833785      2.026660
  H      -7.220002     -3.104244      1.276239
  H      -4.808743     -3.552595      0.836383
  H      -7.400947     -6.614680      7.432237
  H      -8.439230     -6.487253      6.057561
  H      -6.917377     -7.341048      5.926211
  H      -5.946595     -5.056885      6.584613
  H      -6.344205     -3.710438      4.716653
  H      -7.436184     -5.003485      2.745443
  H      -8.279330     -5.934312      3.967025
  H      -9.546314     -4.158010      1.881953
  H     -11.214049     -2.322826      1.961157
  H     -11.423338     -0.950075      4.029702
  H      -9.955965     -1.438702      5.985590
  H      -8.300315     -3.293147      5.894206
  H      -2.377152     -7.036421      8.482693
  H      -3.695242     -6.988051      7.258367
  H      -4.049267     -6.606414      8.968290
  H      -3.913022     -4.596494      7.820836
  H      -2.226225     -3.662785      6.812929
  H       0.028270     -4.804738      6.573023
  H      -0.489343     -5.976771      7.791530
  H      -0.719162     -5.313567     10.141215
  H      -0.133041     -3.681407     11.915207
  H       0.663295     -1.400656     11.307389
  H       0.868904     -0.772008      8.918592
  H       0.291494     -2.413064      7.156078
  N      -3.977699     -2.939094      5.077006
  N      -4.769169     -1.873624      4.870480
  H      -4.563743     -1.051014      5.429891
  H      -5.024372     -1.638975      3.896435
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918183047756
  N      -2.559950     -3.872455      2.648903
  C      -2.356386     -4.851386      1.582721
  C      -1.990596     -6.197506      2.201534
  N      -2.973198     -6.536667      3.255045
  C      -4.243040     -7.052959      2.695571
  C      -5.389907     -6.772162      3.655975
  N      -5.332116     -5.375800      4.088197
  Mo     -3.513827     -4.540816      4.278399
  N      -2.335301     -5.339716      5.641596
  C      -1.610134     -6.569429      5.308212
  C      -2.427237     -7.398991      4.325620
  H      -1.420723     -7.193162      6.198543
  H      -0.615279     -6.338952      4.876612
  H      -3.286431     -7.828315      4.861529
  H      -1.833192     -8.233352      3.906697
  H      -6.336492     -7.002403      3.133327
  H      -5.335496     -7.474307      4.512994
  H      -4.429736     -6.513766      1.755223
  H      -4.163700     -8.132402      2.463483
  H      -1.554277     -4.554046      0.889606
  H      -3.262216     -4.969203      0.953141
  H      -1.004413     -6.113370      2.681278
  H      -1.939238     -6.998353      1.439309
  C       0.246924     -2.817634      1.561833
  N      -0.664338     -2.227872      2.531369
  C      -2.108779     -2.492734      2.417776
  C      -2.679227     -1.875232      1.116334
  C      -4.139151     -1.563936      1.284967
  C      -4.539818     -0.271931      1.668071
  C      -5.878588      0.036220      1.925706
  C      -6.856782     -0.975688      1.801241
  C      -6.463382     -2.246127      1.403645
  C      -5.115184     -2.533409      1.149310
  C      -7.399856     -6.453795      6.384112
  N      -6.819755     -5.156072      6.076533
  C      -6.546795     -4.793235      4.679212
  C      -7.780230     -4.981521      3.794742
  C      -8.802927     -3.868953      3.891592
  C      -9.637973     -3.600178      2.806580
  C     -10.574987     -2.578495      2.858054
  C     -10.691744     -1.796694      4.003457
  C      -9.869957     -2.054497      5.088469
  C      -8.934789     -3.079629      5.033678
  C      -3.345170     -6.515612      8.152080
  N      -3.037927     -5.085724      8.002524
  C      -2.078717     -4.721788      6.961875
  C      -0.630884     -4.938982      7.446271
  C      -0.250543     -3.981164      8.543643
  C      -0.378223     -4.327688      9.887746
  C      -0.054041     -3.419317     10.895108
  C       0.402762     -2.140654     10.569987
  C       0.530618     -1.781190      9.234358
  C       0.209051     -2.695021      8.231631
  H       0.361371     -3.903582      1.634420
  H       1.267093     -2.392909      1.686599
  H      -0.098037     -2.560127      0.542027
  H      -0.379267     -2.492919      3.478579
  H      -2.538582     -1.916678      3.241340
  H      -2.524528     -2.552719      0.276266
  H      -2.125867     -0.947173      0.904239
  H      -3.778175      0.525674      1.775767
  H      -6.162204      1.053227      2.225621
  H      -7.905672     -0.762957      2.016563
  H      -7.203732     -3.015116      1.300663
  H      -4.814656     -3.517299      0.851321
  H      -7.422290     -6.567157      7.479640
  H      -8.447477     -6.493545      6.034372
  H      -6.861663     -7.334528      5.967747
  H      -5.943432     -5.039359      6.595425
  H      -6.351985     -3.715490      4.711160
  H      -7.430420     -5.037770      2.753932
  H      -8.260262     -5.950493      3.992595
  H      -9.545068     -4.199524      1.900436
  H     -11.216331     -2.377169      1.983680
  H     -11.424182     -0.986097      4.039924
  H      -9.951146     -1.448389      5.988351
  H      -8.290863     -3.292674      5.896950
  H      -2.460236     -7.046903      8.486430
  H      -3.712484     -7.007167      7.226512
  H      -4.108719     -6.656021      8.927927
  H      -3.897514     -4.581706      7.805679
  H      -2.214986     -3.646114      6.818670
  H       0.032114     -4.794553      6.579846
  H      -0.494077     -5.974126      7.788369
  H      -0.744758     -5.322342     10.145155
  H      -0.158807     -3.709007     11.938662
  H       0.655737     -1.428801     11.358537
  H       0.887749     -0.785133      8.969469
  H       0.312112     -2.408779      7.186276
  N      -3.968971     -2.933913      5.069520
  N      -4.752539     -1.866890      4.847597
  H      -4.539818     -1.039137      5.424709
  H      -5.003967     -1.642324      3.871874
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917038301839
  N      -2.556615     -3.852626      2.657345
  C      -2.352861     -4.832048      1.584946
  C      -1.997663     -6.184345      2.198650
  N      -2.985162     -6.518309      3.251080
  C      -4.261526     -7.017447      2.689295
  C      -5.406741     -6.729001      3.651206
  N      -5.333641     -5.338039      4.097988
  Mo     -3.507747     -4.521579      4.287320
  N      -2.331750     -5.332619      5.643778
  C      -1.623543     -6.572596      5.305478
  C      -2.450101     -7.390264      4.319730
  H      -1.442926     -7.201613      6.193447
  H      -0.623804     -6.353692      4.874749
  H      -3.315477     -7.811508      4.853509
  H      -1.864023     -8.230402      3.899045
  H      -6.355036     -6.942694      3.126001
  H      -5.363680     -7.438899      4.501627
  H      -4.441157     -6.470089      1.752801
  H      -4.194139     -8.095525      2.449785
  H      -1.545310     -4.536537      0.895279
  H      -3.259820     -4.942108      0.951429
  H      -1.010685     -6.110520      2.679018
  H      -1.952902     -6.982209      1.433425
  C       0.256502     -2.825135      1.556575
  N      -0.657496     -2.224375      2.539521
  C      -2.100465     -2.480092      2.431192
  C      -2.671168     -1.874608      1.126800
  C      -4.126978     -1.572825      1.290590
  C      -4.540603     -0.298179      1.670636
  C      -5.896717     -0.027260      1.920788
  C      -6.849744     -1.021662      1.795254
  C      -6.453478     -2.287801      1.399597
  C      -5.113523     -2.576136      1.148032
  C      -7.404140     -6.437893      6.388064
  N      -6.817321     -5.136311      6.090917
  C      -6.545085     -4.760575      4.695854
  C      -7.777760     -4.950379      3.801749
  C      -8.817081     -3.851827      3.892413
  C      -9.635613     -3.610657      2.796331
  C     -10.595729     -2.595849      2.823404
  C     -10.751659     -1.796487      3.959693
  C      -9.944725     -2.034669      5.066310
  C      -8.983945     -3.055381      5.038377
  C      -3.289104     -6.512131      8.166971
  N      -3.005926     -5.081975      8.013260
  C      -2.059199     -4.721774      6.957757
  C      -0.601063     -4.943707      7.427026
  C      -0.221358     -3.994673      8.537438
  C      -0.353697     -4.359085      9.879311
  C      -0.041688     -3.457783     10.906657
  C       0.406721     -2.167154     10.605530
  C       0.543914     -1.790695      9.268957
  C       0.235375     -2.697897      8.245326
  H       0.355822     -3.917974      1.621802
  H       1.279793     -2.397233      1.688777
  H      -0.074144     -2.572098      0.525627
  H      -0.376363     -2.493268      3.477543
  H      -2.525114     -1.900139      3.260608
  H      -2.517800     -2.558626      0.290224
  H      -2.119196     -0.945515      0.910372
  H      -3.802092      0.482381      1.778799
  H      -6.209617      0.945536      2.215451
  H      -7.901360     -0.826797      2.005845
  H      -7.202870     -3.084933      1.289745
  H      -4.833189     -3.594456      0.841885
  H      -7.456819     -6.542924      7.504946
  H      -8.463932     -6.491021      6.003097
  H      -6.837724     -7.316532      5.975990
  H      -5.940871     -5.023661      6.606928
  H      -6.349156     -3.682112      4.736794
  H      -7.420793     -5.007167      2.755983
  H      -8.253937     -5.919739      3.997423
  H      -9.512825     -4.225088      1.896042
  H     -11.217596     -2.431332      1.958767
  H     -11.500068     -0.998857      3.984722
  H     -10.055325     -1.420341      5.968929
  H      -8.353395     -3.245448      5.913423
  H      -2.389332     -7.040291      8.490090
  H      -3.657492     -7.004710      7.243919
  H      -4.046508     -6.653095      8.956423
  H      -3.882457     -4.570650      7.822489
  H      -2.201348     -3.644195      6.812064
  H       0.059300     -4.784624      6.550312
  H      -0.454439     -5.989607      7.760080
  H      -0.715713     -5.362066     10.119508
  H      -0.148100     -3.761303     11.946211
  H       0.648888     -1.460303     11.411162
  H       0.896010     -0.785732      9.021953
  H       0.340036     -2.398062      7.202773
  N      -3.951355     -2.915986      5.085813
  N      -4.728944     -1.845750      4.852878
  H      -4.559118     -1.007513      5.390884
  H      -4.951628     -1.624885      3.864729
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919612357221
  N      -2.546441     -3.856541      2.662075
  C      -2.344518     -4.831814      1.587833
  C      -1.995288     -6.187804      2.192448
  N      -2.981363     -6.525197      3.244539
  C      -4.258985     -7.021910      2.686254
  C      -5.402162     -6.735784      3.650769
  N      -5.324557     -5.349929      4.105930
  Mo     -3.499991     -4.533595      4.286495
  N      -2.323580     -5.350218      5.636382
  C      -1.610670     -6.583666      5.292801
  C      -2.440055     -7.401299      4.307609
  H      -1.423297     -7.211641      6.179087
  H      -0.614855     -6.359119      4.858617
  H      -3.301251     -7.827457      4.843146
  H      -1.853966     -8.237455      3.879587
  H      -6.351089     -6.943011      3.125717
  H      -5.361389     -7.450505      4.495896
  H      -4.440977     -6.471970      1.752698
  H      -4.192290     -8.098913      2.442931
  H      -1.536395     -4.536184      0.903165
  H      -3.249402     -4.937293      0.954287
  H      -1.008591     -6.120457      2.672407
  H      -1.954327     -6.981424      1.422638
  C       0.256838     -2.850118      1.581260
  N      -0.649563     -2.221000      2.539447
  C      -2.093885     -2.479713      2.436014
  C      -2.683281     -1.871358      1.127626
  C      -4.150833     -1.577541      1.307730
  C      -4.571167     -0.302419      1.697667
  C      -5.926228     -0.046659      1.970493
  C      -6.868818     -1.042651      1.862760
  C      -6.468286     -2.309974      1.458721
  C      -5.129399     -2.584486      1.183521
  C      -7.405111     -6.461864      6.375199
  N      -6.809031     -5.158481      6.092425
  C      -6.533012     -4.766059      4.701625
  C      -7.770195     -4.932143      3.792374
  C      -8.802730     -3.830491      3.883220
  C      -9.606225     -3.567161      2.765090
  C     -10.562709     -2.542454      2.783738
  C     -10.731549     -1.758494      3.937201
  C      -9.942859     -2.014807      5.059901
  C      -8.986562     -3.043026      5.038661
  C      -3.294515     -6.554272      8.156834
  N      -3.018258     -5.124788      8.012363
  C      -2.068052     -4.740532      6.960255
  C      -0.605570     -4.942151      7.435445
  C      -0.234128     -3.974106      8.527966
  C      -0.368211     -4.317779      9.884593
  C      -0.054609     -3.400039     10.891684
  C       0.391414     -2.114966     10.560266
  C       0.527129     -1.757510      9.210285
  C       0.218178     -2.681667      8.205768
  H       0.357434     -3.958957      1.678883
  H       1.256355     -2.410617      1.709377
  H      -0.068191     -2.627966      0.554350
  H      -0.359507     -2.480186      3.490032
  H      -2.520862     -1.901757      3.269793
  H      -2.532928     -2.554528      0.275502
  H      -2.133147     -0.942328      0.911455
  H      -3.827122      0.490762      1.796743
  H      -6.229633      0.946521      2.279780
  H      -7.913361     -0.844986      2.097101
  H      -7.207059     -3.102465      1.368781
  H      -4.843898     -3.602725      0.873188
  H      -7.416666     -6.605056      7.459744
  H      -8.446244     -6.484609      6.044383
  H      -6.895699     -7.333948      5.934031
  H      -5.935883     -5.056812      6.599176
  H      -6.317722     -3.686997      4.753609
  H      -7.407060     -4.976455      2.750159
  H      -8.266324     -5.902169      3.977337
  H      -9.473008     -4.171432      1.855742
  H     -11.168197     -2.363057      1.910026
  H     -11.472832     -0.961630      3.963431
  H     -10.066560     -1.409920      5.969388
  H      -8.376053     -3.237790      5.911682
  H      -2.387250     -7.083645      8.473798
  H      -3.670199     -7.039846      7.234641
  H      -4.045321     -6.698938      8.943636
  H      -3.890932     -4.623403      7.826527
  H      -2.224401     -3.656438      6.823184
  H       0.056090     -4.788534      6.566229
  H      -0.451465     -5.978859      7.781988
  H      -0.726574     -5.317167     10.147352
  H      -0.158218     -3.688576     11.937918
  H       0.637569     -1.396708     11.346305
  H       0.877746     -0.756888      8.939937
  H       0.324533     -2.398273      7.153202
  N      -3.941046     -2.925645      5.086023
  N      -4.722532     -1.855464      4.863062
  H      -4.532695     -1.028458      5.411814
  H      -4.944305     -1.627920      3.885524
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917280676077
  N      -2.545152     -3.869807      2.668319
  C      -2.332133     -4.839282      1.595068
  C      -1.977578     -6.195068      2.198260
  N      -2.966813     -6.542464      3.242708
  C      -4.237645     -7.049418      2.677014
  C      -5.387205     -6.775930      3.636585
  N      -5.324619     -5.388527      4.090446
  Mo     -3.505056     -4.558442      4.285654
  N      -2.327867     -5.373800      5.637533
  C      -1.602004     -6.597967      5.292821
  C      -2.422671     -7.418398      4.304629
  H      -1.408043     -7.224761      6.178379
  H      -0.610161     -6.363373      4.860155
  H      -3.280756     -7.851300      4.836469
  H      -1.830696     -8.247863      3.876175
  H      -6.331999     -6.991621      3.106575
  H      -5.342375     -7.490952      4.481286
  H      -4.421130     -6.499967      1.743442
  H      -4.159627     -8.125853      2.433038
  H      -1.525027     -4.536517      0.914396
  H      -3.232868     -4.948519      0.958717
  H      -0.994470     -6.120665      2.684704
  H      -1.926568     -6.987806      1.428343
  C       0.258321     -2.861555      1.599445
  N      -0.647505     -2.235941      2.556543
  C      -2.098080     -2.490560      2.451761
  C      -2.688720     -1.867367      1.149784
  C      -4.155936     -1.566770      1.324608
  C      -4.582071     -0.288109      1.734721
  C      -5.909754     -0.011318      2.006544
  C      -6.868135     -1.033773      1.870867
  C      -6.468828     -2.316857      1.445647
  C      -5.117545     -2.557917      1.184427
  C      -7.436155     -6.512009      6.339441
  N      -6.832726     -5.202625      6.072296
  C      -6.541021     -4.800338      4.677774
  C      -7.787524     -4.935735      3.765100
  C      -8.793381     -3.819152      3.877647
  C      -9.625447     -3.508988      2.775965
  C     -10.550320     -2.467235      2.829308
  C     -10.662376     -1.708955      3.993498
  C      -9.845867     -2.006082      5.091591
  C      -8.923184     -3.051022      5.036364
  C      -3.300766     -6.556679      8.156289
  N      -3.033923     -5.140047      8.007873
  C      -2.081629     -4.754859      6.961407
  C      -0.617496     -4.938260      7.441200
  C      -0.247080     -3.948129      8.505269
  C      -0.389551     -4.250712      9.875721
  C      -0.085605     -3.307446     10.863293
  C       0.359295     -2.040865     10.497981
  C       0.504475     -1.724670      9.133663
  C       0.202714     -2.673784      8.150466
  H       0.349588     -3.969666      1.685844
  H       1.253832     -2.429493      1.731304
  H      -0.055548     -2.631120      0.578193
  H      -0.361563     -2.501282      3.509729
  H      -2.532120     -1.922881      3.293378
  H      -2.527400     -2.544856      0.289165
  H      -2.140705     -0.942305      0.948301
  H      -3.849630      0.492151      1.849961
  H      -6.199678      1.006563      2.336325
  H      -7.919643     -0.844499      2.101096
  H      -7.220578     -3.127660      1.335436
  H      -4.816445     -3.556945      0.867538
  H      -7.485931     -6.649321      7.448050
  H      -8.490576     -6.550360      5.963263
  H      -6.889026     -7.380266      5.903905
  H      -5.955141     -5.097407      6.593116
  H      -6.309858     -3.721204      4.734376
  H      -7.428246     -4.955015      2.733050
  H      -8.304509     -5.908078      3.932059
  H      -9.535585     -4.089108      1.859351
  H     -11.181394     -2.234780      1.953853
  H     -11.379909     -0.891258      4.038345
  H      -9.926672     -1.418564      5.999795
  H      -8.292330     -3.291397      5.896506
  H      -2.373112     -7.099431      8.460961
  H      -3.696810     -7.039674      7.236983
  H      -4.040019     -6.682935      8.953589
  H      -3.903174     -4.652699      7.825813
  H      -2.242313     -3.673274      6.820566
  H       0.041732     -4.798647      6.579717
  H      -0.459929     -5.959320      7.805954
  H      -0.749494     -5.235764     10.166353
  H      -0.204697     -3.562858     11.926024
  H       0.596018     -1.303017     11.267973
  H       0.852015     -0.738269      8.838207
  H       0.316803     -2.420988      7.087972
  N      -3.968054     -2.962388      5.093264
  N      -4.763865     -1.909902      4.895048
  H      -4.529726     -1.124099      5.490663
  H      -5.037860     -1.667688      3.940032
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920313711611
  N      -2.548965     -3.859658      2.662983
  C      -2.347173     -4.834125      1.590509
  C      -1.988625     -6.186812      2.199178
  N      -2.975216     -6.531636      3.247219
  C      -4.246297     -7.039925      2.683628
  C      -5.393618     -6.761125      3.644463
  N      -5.331735     -5.369942      4.089838
  Mo     -3.509523     -4.542875      4.286189
  N      -2.338695     -5.359530      5.642800
  C      -1.611349     -6.584444      5.298035
  C      -2.430612     -7.405276      4.310067
  H      -1.418593     -7.212274      6.183624
  H      -0.618708     -6.349612      4.865117
  H      -3.289198     -7.838035      4.842746
  H      -1.837423     -8.235329      3.883320
  H      -6.339821     -6.981253      3.117672
  H      -5.345643     -7.470858      4.494510
  H      -4.430242     -6.494823      1.746960
  H      -4.169711     -8.117619      2.445084
  H      -1.544583     -4.536210      0.898237
  H      -3.255289     -4.945236      0.961829
  H      -1.003686     -6.108703      2.682660
  H      -1.938252     -6.982338      1.431878
  C       0.249333     -2.855032      1.584014
  N      -0.653770     -2.229765      2.544825
  C      -2.097339     -2.486896      2.438721
  C      -2.677161     -1.874347      1.137623
  C      -4.137591     -1.556363      1.311425
  C      -4.545211     -0.266017      1.716633
  C      -5.879232      0.025025      1.983895
  C      -6.854816     -0.985661      1.848643
  C      -6.465011     -2.271952      1.429810
  C      -5.120625     -2.545034      1.171398
  C      -7.404569     -6.464275      6.372624
  N      -6.824705     -5.160011      6.075815
  C      -6.548046     -4.788186      4.679584
  C      -7.782499     -4.966783      3.784200
  C      -8.803976     -3.860294      3.880997
  C      -9.639187     -3.588457      2.778473
  C     -10.578961     -2.561296      2.818902
  C     -10.703679     -1.774450      3.964654
  C      -9.880344     -2.036338      5.068245
  C      -8.942377     -3.067709      5.025840
  C      -3.306452     -6.531456      8.164979
  N      -3.037464     -5.113125      8.011573
  C      -2.084851     -4.742648      6.965408
  C      -0.630118     -4.944370      7.443270
  C      -0.249752     -3.971675      8.523467
  C      -0.380979     -4.298781      9.880331
  C      -0.058744     -3.374757     10.874540
  C       0.398008     -2.102583     10.525261
  C       0.527803     -1.761723      9.177915
  C       0.206244     -2.690895      8.189488
  H       0.344726     -3.955599      1.667896
  H       1.248152     -2.424336      1.712023
  H      -0.069372     -2.623716      0.560188
  H      -0.375880     -2.484716      3.494001
  H      -2.522814     -1.913656      3.275319
  H      -2.529045     -2.562460      0.283874
  H      -2.113118     -0.954709      0.926046
  H      -3.792125      0.517873      1.833548
  H      -6.165513      1.037216      2.303857
  H      -7.908857     -0.783325      2.072603
  H      -7.218464     -3.059517      1.320714
  H      -4.826708     -3.544113      0.861451
  H      -7.431421     -6.584224      7.467186
  H      -8.450314     -6.507992      6.020497
  H      -6.864702     -7.338801      5.950811
  H      -5.948668     -5.044076      6.593383
  H      -6.343966     -3.710749      4.720745
  H      -7.428878     -5.016639      2.748306
  H      -8.268910     -5.935291      3.971485
  H      -9.538343     -4.188524      1.873329
  H     -11.214671     -2.358429      1.939158
  H     -11.436578     -0.959731      3.992254
  H      -9.968916     -1.427697      5.965927
  H      -8.304627     -3.284321      5.895317
  H      -2.386570     -7.068797      8.478067
  H      -3.686377     -7.018898      7.241021
  H      -4.057209     -6.662514      8.962589
  H      -3.906016     -4.627941      7.824257
  H      -2.232506     -3.666072      6.821540
  H       0.026006     -4.801916      6.574776
  H      -0.480778     -5.972272      7.795877
  H      -0.747796     -5.288863     10.157005
  H      -0.171200     -3.648807     11.930052
  H       0.650331     -1.379676     11.300590
  H       0.883436     -0.770354      8.895281
  H       0.313755     -2.419180      7.135412
  N      -3.964948     -2.940738      5.088768
  N      -4.757127     -1.881308      4.878164
  H      -4.531827     -1.062050      5.452355
  H      -5.022970     -1.655351      3.911504
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919529787916
  N      -2.549088     -3.863186      2.669673
  C      -2.340195     -4.837834      1.599331
  C      -1.982459     -6.190066      2.208596
  N      -2.970009     -6.532279      3.257130
  C      -4.242119     -7.039304      2.694633
  C      -5.389943     -6.758524      3.655082
  N      -5.324050     -5.367015      4.098860
  Mo     -3.504385     -4.539210      4.290229
  N      -2.325045     -5.346519      5.645551
  C      -1.608114     -6.580078      5.308749
  C      -2.429122     -7.402701      4.323643
  H      -1.421488     -7.205645      6.197461
  H      -0.612077     -6.354070      4.878216
  H      -3.290469     -7.828769      4.856599
  H      -1.839780     -8.238579      3.901532
  H      -6.336440     -6.978406      3.129697
  H      -5.342686     -7.467275      4.505645
  H      -4.425738     -6.492919      1.758881
  H      -4.167034     -8.117152      2.454710
  H      -1.533702     -4.538625      0.916572
  H      -3.241261     -4.949441      0.964205
  H      -0.998276     -6.113713      2.692379
  H      -1.931302     -6.984961      1.440890
  C       0.249143     -2.819398      1.582638
  N      -0.659545     -2.220197      2.553913
  C      -2.104135     -2.480816      2.446112
  C      -2.687559     -1.863725      1.140536
  C      -4.160944     -1.588179      1.306885
  C      -4.589810     -0.312451      1.689902
  C      -5.943237     -0.049689      1.943481
  C      -6.892845     -1.067840      1.820201
  C      -6.482180     -2.334933      1.417895
  C      -5.133217     -2.594143      1.162320
  C      -7.432013     -6.459440      6.375325
  N      -6.826223     -5.161846      6.084990
  C      -6.540114     -4.775747      4.685801
  C      -7.783058     -4.935928      3.776821
  C      -8.812762     -3.811549      3.858565
  C      -9.638303     -3.536048      2.753995
  C     -10.581534     -2.512436      2.796025
  C     -10.716984     -1.736416      3.951008
  C      -9.908339     -1.996493      5.050352
  C      -8.965209     -3.026363      5.007628
  C      -3.277913     -6.529471      8.157233
  N      -3.003158     -5.105876      8.012626
  C      -2.061904     -4.734925      6.960365
  C      -0.597714     -4.943075      7.432443
  C      -0.221208     -3.985544      8.529091
  C      -0.352264     -4.334742      9.876369
  C      -0.040494     -3.423202     10.887852
  C       0.405478     -2.139209     10.565433
  C       0.542077     -1.777835      9.222541
  C       0.231996     -2.694548      8.216561
  H       0.356819     -3.902898      1.659849
  H       1.268487     -2.395440      1.702287
  H      -0.095037     -2.572042      0.566745
  H      -0.365613     -2.486228      3.496407
  H      -2.540801     -1.907540      3.273645
  H      -2.519121     -2.533679      0.300297
  H      -2.154720     -0.925286      0.925941
  H      -3.847773      0.489096      1.795677
  H      -6.249587      0.953727      2.247348
  H      -7.940470     -0.875389      2.036715
  H      -7.212700     -3.124445      1.313259
  H      -4.832117     -3.597082      0.852462
  H      -7.447434     -6.600620      7.463018
  H      -8.473662     -6.476076      6.039183
  H      -6.925921     -7.335073      5.941980
  H      -5.945666     -5.055907      6.605252
  H      -6.321338     -3.696376      4.725962
  H      -7.413540     -4.986127      2.728731
  H      -8.287807     -5.905034      3.975017
  H      -9.529452     -4.140806      1.850765
  H     -11.204346     -2.327766      1.934482
  H     -11.448056     -0.941412      3.997456
  H     -10.005148     -1.397034      5.960002
  H      -8.335560     -3.232102      5.871893
  H      -2.369592     -7.057369      8.466355
  H      -3.656387     -7.013400      7.239576
  H      -4.025902     -6.671360      8.948236
  H      -3.890128     -4.586393      7.834287
  H      -2.214624     -3.658005      6.817783
  H       0.062349     -4.784482      6.561807
  H      -0.444501     -5.981866      7.772870
  H      -0.711238     -5.333292     10.132284
  H      -0.145340     -3.714849     11.931380
  H       0.649538     -1.425693     11.355959
  H       0.894000     -0.778120      8.958089
  H       0.340054     -2.407496      7.166253
  N      -3.960470     -2.937043      5.086840
  N      -4.753522     -1.873802      4.875091
  H      -4.540861     -1.053656      5.448719
  H      -4.993892     -1.639058      3.905197
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918537091609
  N      -2.550047     -3.857194      2.652773
  C      -2.338124     -4.836223      1.583781
  C      -1.986611     -6.189098      2.196937
  N      -2.975836     -6.527045      3.245678
  C      -4.250054     -7.030356      2.681934
  C      -5.397980     -6.743522      3.641786
  N      -5.328232     -5.352653      4.089091
  Mo     -3.503686     -4.532377      4.280664
  N      -2.329244     -5.345306      5.638658
  C      -1.614174     -6.579269      5.301440
  C      -2.437003     -7.398271      4.313666
  H      -1.431555     -7.206357      6.189414
  H      -0.616361     -6.355926      4.873257
  H      -3.299884     -7.823877      4.846204
  H      -1.848200     -8.234287      3.891545
  H      -6.344969     -6.958466      3.115034
  H      -5.354845     -7.453702      4.491743
  H      -4.430215     -6.485257      1.743984
  H      -4.179008     -8.108833      2.444561
  H      -1.526098     -4.540706      0.901407
  H      -3.238788     -4.946283      0.944050
  H      -1.001840     -6.116333      2.680946
  H      -1.939161     -6.985676      1.430471
  C       0.258306     -2.829813      1.569711
  N      -0.658524     -2.219996      2.534365
  C      -2.101036     -2.481808      2.424559
  C      -2.677981     -1.872619      1.121753
  C      -4.135953     -1.562660      1.288325
  C      -4.549422     -0.290905      1.685990
  C      -5.900784     -0.018782      1.946641
  C      -6.854924     -1.010679      1.811332
  C      -6.458825     -2.275471      1.401312
  C      -5.118755     -2.560340      1.144404
  C      -7.385840     -6.464784      6.373304
  N      -6.805910     -5.154799      6.081589
  C      -6.537510     -4.772138      4.688955
  C      -7.776401     -4.948243      3.797569
  C      -8.796408     -3.860650      3.913578
  C      -9.626827     -3.607535      2.822990
  C     -10.576345     -2.577639      2.852107
  C     -10.706187     -1.784685      3.995532
  C      -9.885076     -2.038312      5.100257
  C      -8.938723     -3.066111      5.061332
  C      -3.359037     -6.540763      8.153608
  N      -3.043744     -5.107983      8.009575
  C      -2.078792     -4.732025      6.967261
  C      -0.624832     -4.940636      7.449945
  C      -0.249187     -3.974389      8.541178
  C      -0.386605     -4.311320      9.893192
  C      -0.060975     -3.397731     10.894211
  C       0.401030     -2.122507     10.560286
  C       0.538873     -1.772058      9.216098
  C       0.218769     -2.692219      8.217069
  H       0.363221     -3.943344      1.648532
  H       1.257326     -2.389536      1.711112
  H      -0.057991     -2.589297      0.540204
  H      -0.380374     -2.484204      3.479975
  H      -2.530711     -1.904418      3.255559
  H      -2.521182     -2.554652      0.275184
  H      -2.127019     -0.946994      0.914626
  H      -3.807298      0.487533      1.804921
  H      -6.199272      0.972761      2.260303
  H      -7.896742     -0.805522      2.030805
  H      -7.205454     -3.064496      1.289074
  H      -4.836097     -3.577172      0.831568
  H      -7.399870     -6.599501      7.462345
  H      -8.429059     -6.504735      6.036083
  H      -6.860501     -7.335039      5.939365
  H      -5.933948     -5.036614      6.589890
  H      -6.332282     -3.692268      4.736560
  H      -7.433286     -4.980530      2.763201
  H      -8.262629     -5.921067      3.969641
  H      -9.524671     -4.211056      1.912889
  H     -11.212032     -2.388681      1.976620
  H     -11.445200     -0.975279      4.020565
  H      -9.978777     -1.420402      5.995019
  H      -8.309618     -3.246603      5.900283
  H      -2.483269     -7.064761      8.494678
  H      -3.728736     -7.030513      7.232778
  H      -4.122576     -6.683042      8.910614
  H      -3.905996     -4.590538      7.804280
  H      -2.222582     -3.646130      6.829869
  H       0.038610     -4.793513      6.582962
  H      -0.479175     -5.976245      7.796177
  H      -0.755302     -5.303571     10.156490
  H      -0.162300     -3.681910     11.934360
  H       0.657997     -1.407520     11.341610
  H       0.903545     -0.779629      8.942518
  H       0.329475     -2.413563      7.166429
  N      -3.951329     -2.928607      5.082815
  N      -4.735310     -1.866552      4.858101
  H      -4.547103     -1.049363      5.422645
  H      -4.992777     -1.642573      3.880573
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917658456874
  N      -2.547816     -3.854910      2.659570
  C      -2.350938     -4.830937      1.584901
  C      -2.004466     -6.186982      2.188974
  N      -2.991400     -6.524400      3.239718
  C      -4.267920     -7.018529      2.677319
  C      -5.411472     -6.731960      3.640021
  N      -5.331321     -5.347728      4.098888
  Mo     -3.505641     -4.535335      4.287993
  N      -2.337723     -5.358986      5.638555
  C      -1.622828     -6.591166      5.289503
  C      -2.452215     -7.404525      4.300689
  H      -1.434828     -7.221850      6.173334
  H      -0.627380     -6.365007      4.854431
  H      -3.314788     -7.830829      4.834950
  H      -1.865935     -8.239986      3.870946
  H      -6.359607     -6.934534      3.111977
  H      -5.374349     -7.448702      4.483200
  H      -4.446300     -6.467816      1.743613
  H      -4.202913     -8.095188      2.433699
  H      -1.543963     -4.538716      0.895243
  H      -3.258536     -4.933775      0.953597
  H      -1.017839     -6.120580      2.669409
  H      -1.963548     -6.980201      1.418537
  C       0.241379     -2.848639      1.587394
  N      -0.663248     -2.212884      2.530668
  C      -2.098728     -2.482186      2.428132
  C      -2.685589     -1.889370      1.122917
  C      -4.140228     -1.569726      1.308275
  C      -4.551124     -0.281929      1.700448
  C      -5.896425     -0.006576      1.974054
  C      -6.856198     -1.014314      1.863261
  C      -6.452980     -2.279700      1.459904
  C      -5.108989     -2.553148      1.187582
  C      -7.377692     -6.459191      6.377546
  N      -6.806790     -5.147000      6.088935
  C      -6.538496     -4.769758      4.698154
  C      -7.770507     -4.951957      3.800174
  C      -8.795217     -3.856009      3.893094
  C      -9.601418     -3.607358      2.784345
  C     -10.552124     -2.578050      2.798475
  C     -10.712189     -1.771705      3.934577
  C      -9.917029     -2.017906      5.053696
  C      -8.966233     -3.054673      5.042255
  C      -3.285602     -6.547576      8.179813
  N      -3.033457     -5.131163      8.019111
  C      -2.080339     -4.746745      6.961208
  C      -0.614668     -4.944868      7.429955
  C      -0.242078     -3.973459      8.520160
  C      -0.379305     -4.314144      9.879536
  C      -0.066205     -3.395582     10.889469
  C       0.384735     -2.113270     10.557010
  C       0.520690     -1.758227      9.206755
  C       0.211180     -2.683337      8.199566
  H       0.351710     -3.974127      1.695795
  H       1.217305     -2.394867      1.719678
  H      -0.075017     -2.640063      0.558488
  H      -0.378399     -2.458509      3.485200
  H      -2.518048     -1.901184      3.260566
  H      -2.546711     -2.589939      0.268535
  H      -2.123115     -0.973652      0.906758
  H      -3.804021      0.511736      1.799664
  H      -6.190806      0.998355      2.281282
  H      -7.906510     -0.816140      2.096168
  H      -7.198527     -3.069568      1.367344
  H      -4.812041     -3.550156      0.881895
  H      -7.413050     -6.576658      7.477585
  H      -8.426742     -6.517945      6.015859
  H      -6.820241     -7.328582      5.952448
  H      -5.937860     -5.031462      6.593767
  H      -6.334842     -3.691683      4.747759
  H      -7.416386     -5.004550      2.765494
  H      -8.257110     -5.918773      3.983189
  H      -9.474593     -4.217977      1.878837
  H     -11.164797     -2.395970      1.915967
  H     -11.452220     -0.958873      3.944158
  H     -10.031540     -1.400454      5.954537
  H      -8.345667     -3.266799      5.940519
  H      -2.351590     -7.090125      8.483775
  H      -3.669860     -7.036232      7.257961
  H      -4.028961     -6.672421      8.991170
  H      -3.899310     -4.658536      7.837902
  H      -2.241006     -3.661378      6.819671
  H       0.043825     -4.792026      6.555706
  H      -0.455644     -5.981713      7.778688
  H      -0.743564     -5.311392     10.143920
  H      -0.177574     -3.681522     11.941159
  H       0.629106     -1.393590     11.345886
  H       0.871457     -0.759014      8.937944
  H       0.315193     -2.400071      7.150381
  N      -3.942044     -2.924557      5.092146
  N      -4.732328     -1.856501      4.859487
  H      -4.548676     -1.009129      5.388492
  H      -4.961026     -1.646622      3.876956
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.917784863087
  N      -2.548197     -3.860411      2.653565
  C      -2.348466     -4.836065      1.581980
  C      -1.987506     -6.188118      2.191341
  N      -2.970053     -6.534437      3.242815
  C      -4.243453     -7.043307      2.688097
  C      -5.385897     -6.764756      3.654536
  N      -5.319822     -5.376176      4.102279
  Mo     -3.497892     -4.545113      4.278901
  N      -2.320870     -5.358272      5.631422
  C      -1.591582     -6.579062      5.284809
  C      -2.417131     -7.405197      4.304165
  H      -1.391850     -7.204212      6.172020
  H      -0.601924     -6.340803      4.845563
  H      -3.270228     -7.841869      4.843612
  H      -1.824291     -8.233015      3.872911
  H      -6.336084     -6.982563      3.131805
  H      -5.335827     -7.477155      4.503459
  H      -4.432910     -6.499140      1.751512
  H      -4.167154     -8.121180      2.450347
  H      -1.546989     -4.537771      0.887131
  H      -3.260134     -4.951103      0.956299
  H      -1.000329     -6.109935      2.671891
  H      -1.941178     -6.984133      1.423957
  C       0.255002     -2.859014      1.554568
  N      -0.649360     -2.220627      2.520852
  C      -2.104826     -2.479980      2.423046
  C      -2.702573     -1.867028      1.115679
  C      -4.175140     -1.570949      1.299706
  C      -4.592328     -0.290649      1.715963
  C      -5.922606     -0.020086      2.009985
  C      -6.878553     -1.028520      1.891180
  C      -6.493613     -2.324049      1.462193
  C      -5.155028     -2.582163      1.180360
  C      -7.383168     -6.454595      6.383613
  N      -6.806263     -5.156734      6.081663
  C      -6.530333     -4.788608      4.690290
  C      -7.762498     -4.957460      3.793589
  C      -8.783753     -3.825383      3.869642
  C      -9.605789     -3.531203      2.751858
  C     -10.538761     -2.503203      2.794717
  C     -10.673717     -1.731328      3.951147
  C      -9.868777     -2.003019      5.055377
  C      -8.935592     -3.038863      5.015229
  C      -3.317855     -6.545349      8.138494
  N      -3.042521     -5.119754      7.992976
  C      -2.081736     -4.743434      6.962088
  C      -0.642484     -4.944619      7.458377
  C      -0.268507     -3.970870      8.544426
  C      -0.400793     -4.302319      9.902645
  C      -0.078630     -3.378046     10.897967
  C       0.376238     -2.101062     10.550798
  C       0.501026     -1.754145      9.205562
  C       0.183839     -2.684480      8.213084
  H       0.343769     -3.948877      1.645747
  H       1.268995     -2.427422      1.666670
  H      -0.070768     -2.641524      0.528640
  H      -0.366626     -2.468231      3.471897
  H      -2.534610     -1.910270      3.264274
  H      -2.555024     -2.551294      0.252914
  H      -2.140353     -0.937801      0.897503
  H      -3.844916      0.495352      1.825419
  H      -6.219809      0.975360      2.342427
  H      -7.930285     -0.839273      2.137850
  H      -7.243923     -3.129702      1.370684
  H      -4.856679     -3.583273      0.870864
  H      -7.404044     -6.567704      7.472298
  H      -8.425893     -6.493674      6.039612
  H      -6.847244     -7.332941      5.965102
  H      -5.931547     -5.050472      6.592851
  H      -6.320764     -3.713494      4.730597
  H      -7.400609     -5.029688      2.751340
  H      -8.259564     -5.918635      4.003967
  H      -9.496698     -4.127482      1.845796
  H     -11.158276     -2.294981      1.918479
  H     -11.399096     -0.921053      3.987089
  H      -9.965838     -1.409913      5.965064
  H      -8.304744     -3.287048      5.915064
  H      -2.399019     -7.084733      8.457760
  H      -3.699032     -7.032149      7.207169
  H      -4.069984     -6.686150      8.930518
  H      -3.900414     -4.650791      7.797587
  H      -2.221523     -3.669047      6.823837
  H       0.018883     -4.809765      6.602595
  H      -0.506423     -5.967086      7.810707
  H      -0.767263     -5.295997     10.178788
  H      -0.193552     -3.655468     11.955490
  H       0.626203     -1.377344     11.328411
  H       0.850962     -0.757794      8.927449
  H       0.286899     -2.408940      7.162296
  N      -3.945889     -2.936684      5.074046
  N      -4.730337     -1.871824      4.867884
  H      -4.499177     -1.052358      5.434646
  H      -4.986755     -1.644263      3.905449
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918621169950
  N      -2.543313     -3.859677      2.672971
  C      -2.341458     -4.833888      1.602144
  C      -1.980591     -6.185583      2.210767
  N      -2.968218     -6.531675      3.257529
  C      -4.238024     -7.041361      2.693668
  C      -5.386247     -6.762206      3.653467
  N      -5.325398     -5.369369      4.093704
  Mo     -3.504570     -4.540398      4.291923
  N      -2.333268     -5.353609      5.649183
  C      -1.607771     -6.582004      5.308142
  C      -2.425411     -7.404483      4.321412
  H      -1.416259     -7.208005      6.195452
  H      -0.614662     -6.349175      4.875616
  H      -3.285034     -7.834213      4.853571
  H      -1.833501     -8.236994      3.896946
  H      -6.331462     -6.985333      3.127617
  H      -5.337592     -7.469291      4.504981
  H      -4.422444     -6.496837      1.757438
  H      -4.160090     -8.119175      2.455271
  H      -1.540518     -4.535571      0.912049
  H      -3.247321     -4.946058      0.974178
  H      -0.997336     -6.105210      2.696185
  H      -1.925867     -6.980517      1.443367
  C       0.240130     -2.834462      1.581759
  N      -0.656830     -2.220267      2.549876
  C      -2.098819     -2.482048      2.447579
  C      -2.684219     -1.870311      1.143857
  C      -4.155160     -1.581280      1.315373
  C      -4.574820     -0.296611      1.711992
  C      -5.918694     -0.019859      1.971791
  C      -6.884783     -1.035617      1.841221
  C      -6.486152     -2.319426      1.424762
  C      -5.137211     -2.581678      1.167860
  C      -7.429809     -6.442098      6.383168
  N      -6.834163     -5.146021      6.078384
  C      -6.546963     -4.777590      4.673874
  C      -7.787154     -4.951514      3.770387
  C      -8.811016     -3.836692      3.859787
  C      -9.650800     -3.559962      2.752899
  C     -10.589724     -2.532266      2.794385
  C     -10.709077     -1.753317      3.947617
  C      -9.883054     -2.017222      5.051977
  C      -8.948576     -3.041261      4.998507
  C      -3.263395     -6.527794      8.158007
  N      -3.009275     -5.106631      8.013942
  C      -2.070912     -4.740451      6.963218
  C      -0.611190     -4.946780      7.437061
  C      -0.229723     -3.986824      8.525031
  C      -0.357248     -4.329751      9.873883
  C      -0.044547     -3.413339     10.878892
  C       0.402083     -2.133134     10.545533
  C       0.533742     -1.778051      9.202136
  C       0.219187     -2.698703      8.205544
  H       0.340837     -3.912978      1.667219
  H       1.259131     -2.409932      1.691491
  H      -0.106310     -2.598233      0.562063
  H      -0.364918     -2.473238      3.497640
  H      -2.530416     -1.909774      3.278504
  H      -2.526517     -2.550371      0.300199
  H      -2.136466     -0.938996      0.920625
  H      -3.823327      0.499454      1.823314
  H      -6.215322      0.990674      2.285332
  H      -7.944158     -0.842051      2.061503
  H      -7.226759     -3.103258      1.316499
  H      -4.838351     -3.581999      0.854771
  H      -7.456315     -6.561422      7.477959
  H      -8.473752     -6.473522      6.032681
  H      -6.903795     -7.321483      5.967362
  H      -5.950579     -5.032271      6.604194
  H      -6.334519     -3.699401      4.705390
  H      -7.426621     -5.003758      2.727555
  H      -8.281227     -5.919661      3.966463
  H      -9.553289     -4.160913      1.848058
  H     -11.227635     -2.328228      1.913069
  H     -11.441974     -0.938123      3.976965
  H      -9.970837     -1.404524      5.944441
  H      -8.316932     -3.230718      5.835502
  H      -2.339329     -7.058882      8.459204
  H      -3.633759     -7.009324      7.232919
  H      -4.013674     -6.674026      8.965957
  H      -3.896722     -4.602599      7.839574
  H      -2.221178     -3.670281      6.816926
  H       0.043649     -4.794420      6.567917
  H      -0.459051     -5.977430      7.781909
  H      -0.717412     -5.325503     10.138905
  H      -0.159461     -3.698296     11.933319
  H       0.645934     -1.416101     11.330218
  H       0.883468     -0.780835      8.930546
  H       0.329896     -2.416570      7.151259
  N      -3.966048     -2.938923      5.087130
  N      -4.766018     -1.884712      4.886228
  H      -4.521858     -1.066423      5.457750
  H      -5.033694     -1.655120      3.921831
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.918999189588
  N      -2.549492     -3.857319      2.670424
  C      -2.336311     -4.832436      1.600280
  C      -1.981848     -6.185428      2.210901
  N      -2.973210     -6.528593      3.255472
  C      -4.243044     -7.035653      2.684725
  C      -5.395286     -6.753900      3.640456
  N      -5.332552     -5.361324      4.085202
  Mo     -3.510895     -4.536670      4.291543
  N      -2.337868     -5.351445      5.650733
  C      -1.620562     -6.585077      5.313858
  C      -2.436365     -7.401770      4.321712
  H      -1.439757     -7.213187      6.200510
  H      -0.622469     -6.360393      4.889929
  H      -3.300490     -7.828205      4.849282
  H      -1.845518     -8.236266      3.900517
  H      -6.339149     -6.973756      3.111217
  H      -5.350500     -7.462467      4.490924
  H      -4.421883     -6.489767      1.747531
  H      -4.166982     -8.113649      2.446053
  H      -1.525693     -4.534820      0.919706
  H      -3.234549     -4.941538      0.960378
  H      -0.999457     -6.109791      2.698142
  H      -1.927526     -6.979782      1.442948
  C       0.248648     -2.817777      1.594954
  N      -0.665189     -2.220756      2.559733
  C      -2.102515     -2.482757      2.447163
  C      -2.671821     -1.870104      1.147435
  C      -4.131313     -1.566125      1.300548
  C      -4.548509     -0.284473      1.694688
  C      -5.896907     -0.002787      1.932634
  C      -6.863365     -1.014779      1.777058
  C      -6.454740     -2.278809      1.367757
  C      -5.106993     -2.555380      1.133342
  C      -7.415941     -6.464959      6.374381
  N      -6.828311     -5.156905      6.078695
  C      -6.550599     -4.777674      4.677478
  C      -7.793474     -4.952769      3.780325
  C      -8.818109     -3.849791      3.881926
  C      -9.665351     -3.595645      2.795836
  C     -10.608090     -2.572265      2.841300
  C     -10.722277     -1.769033      3.972922
  C      -9.885243     -2.019729      5.068620
  C      -8.940905     -3.055958      5.030605
  C      -3.324028     -6.527842      8.167589
  N      -3.022793     -5.104268      8.022035
  C      -2.074056     -4.738435      6.969940
  C      -0.609299     -4.947306      7.438897
  C      -0.229219     -3.983122      8.524514
  C      -0.363344     -4.314832      9.874184
  C      -0.042465     -3.398376     10.873274
  C       0.416105     -2.127505     10.535529
  C       0.556837     -1.784290      9.189819
  C       0.235099     -2.705394      8.197814
  H       0.357805     -3.922692      1.666366
  H       1.246183     -2.386606      1.735310
  H      -0.073065     -2.566481      0.574082
  H      -0.384908     -2.487190      3.504373
  H      -2.536235     -1.907451      3.275495
  H      -2.501667     -2.546870      0.309526
  H      -2.131181     -0.942129      0.942323
  H      -3.803785      0.503634      1.824143
  H      -6.192438      1.007385      2.242518
  H      -7.914887     -0.813341      1.977266
  H      -7.196376     -3.060799      1.237709
  H      -4.812960     -3.562755      0.818432
  H      -7.427336     -6.604614      7.461052
  H      -8.456387     -6.498642      6.040647
  H      -6.900714     -7.335242      5.942265
  H      -5.949237     -5.033430      6.598057
  H      -6.343280     -3.697511      4.717528
  H      -7.439358     -4.989980      2.740831
  H      -8.284661     -5.925112      3.960719
  H      -9.572756     -4.212749      1.903682
  H     -11.247063     -2.407147      2.000738
  H     -11.453857     -0.971297      4.017612
  H      -9.961539     -1.407879      5.969957
  H      -8.290270     -3.261833      5.895341
  H      -2.435916     -7.054517      8.492843
  H      -3.700014     -7.013327      7.251529
  H      -4.080638     -6.663877      8.939162
  H      -3.901547     -4.571264      7.831783
  H      -2.222763     -3.658330      6.826430
  H       0.048755     -4.792606      6.563158
  H      -0.453067     -5.985077      7.784475
  H      -0.728135     -5.303943     10.139419
  H      -0.146233     -3.677149     11.916244
  H       0.671407     -1.411351     11.313234
  H       0.922312     -0.796125      8.910845
  H       0.352574     -2.432353      7.141344
  N      -3.967401     -2.940054      5.098805
  N      -4.761123     -1.887048      4.889124
  H      -4.544316     -1.077992      5.471282
  H      -5.034188     -1.656931      3.919187
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919104057262
  N      -2.549766     -3.856545      2.660165
  C      -2.342270     -4.833416      1.587056
  C      -1.992561     -6.188346      2.195186
  N      -2.980017     -6.527048      3.245525
  C      -4.256858     -7.025705      2.684523
  C      -5.401285     -6.740153      3.648053
  N      -5.324312     -5.352675      4.102325
  Mo     -3.499914     -4.534802      4.288448
  N      -2.323298     -5.350802      5.640770
  C      -1.609997     -6.583728      5.296174
  C      -2.438897     -7.401379      4.310100
  H      -1.423336     -7.212959      6.182130
  H      -0.613627     -6.358910      4.863542
  H      -3.300138     -7.828181      4.845198
  H      -1.851674     -8.236805      3.883635
  H      -6.350909     -6.948653      3.122182
  H      -5.359521     -7.454855      4.494610
  H      -4.437812     -6.477036      1.748793
  H      -4.189172     -8.103442      2.443517
  H      -1.531002     -4.538055      0.903255
  H      -3.245986     -4.940616      0.949216
  H      -1.006019     -6.119039      2.676573
  H      -1.949343     -6.982778      1.426279
  C       0.256868     -2.824148      1.566842
  N      -0.661514     -2.210817      2.532681
  C      -2.108145     -2.475538      2.429469
  C      -2.694226     -1.870689      1.121738
  C      -4.159533     -1.575682      1.289079
  C      -4.586533     -0.303738      1.676311
  C      -5.939168     -0.042226      1.936998
  C      -6.882655     -1.048073      1.814126
  C      -6.474006     -2.313121      1.414248
  C      -5.130925     -2.582548      1.155805
  C      -7.385031     -6.461978      6.381066
  N      -6.802528     -5.152695      6.093317
  C      -6.530897     -4.768801      4.702283
  C      -7.768347     -4.940233      3.804596
  C      -8.796957     -3.831937      3.892965
  C      -9.613791     -3.582316      2.791904
  C     -10.565674     -2.555102      2.813402
  C     -10.711842     -1.763108      3.964329
  C      -9.911253     -1.996701      5.059765
  C      -8.960623     -3.027466      5.034991
  C      -3.319202     -6.545378      8.167550
  N      -3.029880     -5.123478      8.016014
  C      -2.070114     -4.739830      6.967002
  C      -0.607396     -4.943707      7.439929
  C      -0.237325     -3.980298      8.541851
  C      -0.379478     -4.327887      9.896459
  C      -0.057853     -3.418871     10.908942
  C       0.404796     -2.137930     10.584930
  C       0.545793     -1.776096      9.239394
  C       0.229413     -2.691820      8.228531
  H       0.366007     -3.932961      1.647283
  H       1.253581     -2.385988      1.698209
  H      -0.062472     -2.593241      0.546358
  H      -0.376167     -2.469988      3.478211
  H      -2.539156     -1.899558      3.262726
  H      -2.531521     -2.553649      0.275167
  H      -2.151693     -0.939227      0.911302
  H      -3.848585      0.488279      1.785703
  H      -6.245187      0.952757      2.244436
  H      -7.918862     -0.847411      2.035742
  H      -7.212186     -3.111212      1.312665
  H      -4.830226     -3.585011      0.851962
  H      -7.408218     -6.594993      7.473574
  H      -8.429570     -6.503176      6.034108
  H      -6.852448     -7.331855      5.949648
  H      -5.932167     -5.039067      6.600842
  H      -6.320878     -3.689913      4.750385
  H      -7.410484     -4.994795      2.763312
  H      -8.263765     -5.907983      3.997924
  H      -9.498953     -4.188041      1.879059
  H     -11.193184     -2.359972      1.916079
  H     -11.449160     -0.962810      3.991533
  H     -10.018004     -1.380208      5.961104
  H      -8.335642     -3.224188      5.910191
  H      -2.412998     -7.081420      8.488485
  H      -3.709061     -7.033810      7.249971
  H      -4.066456     -6.673348      8.946838
  H      -3.897350     -4.625101      7.822776
  H      -2.224655     -3.650866      6.830353
  H       0.056510     -4.783346      6.566726
  H      -0.451521     -5.988637      7.779133
  H      -0.749320     -5.324812     10.152166
  H      -0.159929     -3.711902     11.947790
  H       0.659071     -1.426455     11.374841
  H       0.909291     -0.778351      8.975071
  H       0.336322     -2.403821      7.182711
  N      -3.938078     -2.926967      5.091442
  N      -4.727338     -1.852029      4.855090
  H      -4.562592     -1.006504      5.399199
  H      -4.947051     -1.636043      3.874384
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919859513566
  N      -2.543357     -3.859564      2.645522
  C      -2.342986     -4.839864      1.578469
  C      -1.990206     -6.191280      2.190650
  N      -2.975870     -6.529460      3.241908
  C      -4.251292     -7.030829      2.685480
  C      -5.393989     -6.742349      3.649033
  N      -5.318882     -5.353550      4.094676
  Mo     -3.493834     -4.534589      4.275154
  N      -2.323640     -5.349024      5.629984
  C      -1.604967     -6.580304      5.289390
  C      -2.432716     -7.402158      4.306650
  H      -1.414809     -7.205461      6.178547
  H      -0.610675     -6.353051      4.852811
  H      -3.292342     -7.829146      4.844308
  H      -1.845208     -8.237593      3.879878
  H      -6.343178     -6.954453      3.125062
  H      -5.351167     -7.452993      4.498469
  H      -4.434498     -6.486703      1.748299
  H      -4.182566     -8.109301      2.448749
  H      -1.537666     -4.547212      0.888413
  H      -3.249406     -4.950977      0.948186
  H      -1.004358     -6.117292      2.672601
  H      -1.944586     -6.988282      1.424047
  C       0.241738     -2.835173      1.558160
  N      -0.661993     -2.207279      2.511526
  C      -2.102736     -2.480164      2.408734
  C      -2.698351     -1.885030      1.100805
  C      -4.163767     -1.587043      1.293491
  C      -4.581659     -0.311750      1.703028
  C      -5.927519     -0.052072      1.992747
  C      -6.879765     -1.060955      1.880073
  C      -6.481409     -2.329989      1.456598
  C      -5.136581     -2.586635      1.169659
  C      -7.365124     -6.434197      6.389095
  N      -6.791635     -5.131037      6.082872
  C      -6.524682     -4.764020      4.688023
  C      -7.764089     -4.938683      3.795472
  C      -8.783563     -3.831796      3.890503
  C      -9.608387     -3.568765      2.782847
  C     -10.551954     -2.535449      2.806918
  C     -10.688552     -1.739223      3.948286
  C      -9.874316     -2.002047      5.068750
  C      -8.933459     -3.033021      5.034962
  C      -3.302618     -6.540879      8.143596
  N      -3.039349     -5.114389      7.994290
  C      -2.078079     -4.735571      6.955088
  C      -0.632424     -4.942352      7.449828
  C      -0.255782     -3.980652      8.543349
  C      -0.390374     -4.331967      9.895452
  C      -0.077463     -3.419797     10.907928
  C       0.369469     -2.132704     10.585350
  C       0.499698     -1.766621      9.244093
  C       0.194499     -2.685799      8.232214
  H       0.349425     -3.934496      1.663344
  H       1.248595     -2.386088      1.674651
  H      -0.097493     -2.619754      0.526359
  H      -0.372254     -2.451781      3.461278
  H      -2.530728     -1.901686      3.236486
  H      -2.558224     -2.577880      0.244757
  H      -2.139994     -0.961889      0.876261
  H      -3.836885      0.481324      1.804697
  H      -6.229754      0.939073      2.315918
  H      -7.929446     -0.873468      2.125181
  H      -7.221863     -3.124170      1.365086
  H      -4.840874     -3.588243      0.852206
  H      -7.391661     -6.541060      7.485295
  H      -8.411437     -6.486373      6.037596
  H      -6.818737     -7.310732      5.973328
  H      -5.918510     -5.017132      6.586285
  H      -6.313279     -3.685606      4.724876
  H      -7.414711     -4.991888      2.756878
  H      -8.257938     -5.905172      3.988307
  H      -9.498612     -4.180040      1.881560
  H     -11.173239     -2.354784      1.942180
  H     -11.423671     -0.923558      3.967294
  H      -9.972707     -1.388040      5.967922
  H      -8.306737     -3.230754      5.899226
  H      -2.381439     -7.077344      8.458906
  H      -3.671140     -7.027989      7.212702
  H      -4.057497     -6.685126      8.945738
  H      -3.901928     -4.640721      7.803713
  H      -2.222644     -3.657615      6.814826
  H       0.029793     -4.805270      6.596509
  H      -0.498193     -5.965535      7.798616
  H      -0.755947     -5.332229     10.155462
  H      -0.194229     -3.712607     11.960753
  H       0.607124     -1.416615     11.381239
  H       0.841528     -0.762469      8.986517
  H       0.291167     -2.393924      7.191249
  N      -3.938925     -2.921048      5.065954
  N      -4.731112     -1.862440      4.853431
  H      -4.511767     -1.037754      5.402755
  H      -4.991468     -1.642381      3.882908
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.919987932293
  N      -2.546586     -3.856212      2.675500
  C      -2.342828     -4.828849      1.602104
  C      -1.985895     -6.182881      2.208706
  N      -2.974461     -6.528638      3.254855
  C      -4.243499     -7.036872      2.687443
  C      -5.393263     -6.760444      3.645988
  N      -5.330955     -5.371719      4.097699
  Mo     -3.511084     -4.541059      4.293839
  N      -2.339109     -5.356289      5.649993
  C      -1.614442     -6.583517      5.306569
  C      -2.431613     -7.403381      4.317349
  H      -1.424474     -7.210876      6.192106
  H      -0.620665     -6.350829      4.876505
  H      -3.291086     -7.835330      4.848030
  H      -1.838752     -8.233887      3.890795
  H      -6.337888     -6.977213      3.116998
  H      -5.347929     -7.473492      4.492230
  H      -4.425829     -6.489705      1.752520
  H      -4.164727     -8.113729      2.446341
  H      -1.537925     -4.530737      0.915050
  H      -3.247404     -4.938272      0.970647
  H      -1.002340     -6.107071      2.693874
  H      -1.934313     -6.976583      1.439873
  C       0.243536     -2.844639      1.587544
  N      -0.657163     -2.217994      2.549681
  C      -2.101133     -2.480757      2.450229
  C      -2.687492     -1.869267      1.146297
  C      -4.155774     -1.572193      1.312494
  C      -4.570743     -0.282455      1.711004
  C      -5.907483      0.000655      1.969792
  C      -6.872148     -1.009647      1.835106
  C      -6.475158     -2.295673      1.420725
  C      -5.132568     -2.567147      1.168392
  C      -7.421421     -6.464411      6.374359
  N      -6.840950     -5.161085      6.079089
  C      -6.553299     -4.788603      4.680621
  C      -7.786453     -4.962362      3.775495
  C      -8.805493     -3.847795      3.865828
  C      -9.629735     -3.559753      2.756868
  C     -10.561236     -2.534303      2.804113
  C     -10.691908     -1.756180      3.953053
  C      -9.881889     -2.028943      5.056984
  C      -8.949959     -3.064944      5.015018
  C      -3.285018     -6.535419      8.167219
  N      -3.016506     -5.113188      8.022192
  C      -2.077981     -4.744947      6.968700
  C      -0.615564     -4.947417      7.436643
  C      -0.242222     -3.977602      8.523413
  C      -0.376011     -4.306546      9.876837
  C      -0.055669     -3.384620     10.872545
  C       0.403726     -2.113202     10.526758
  C       0.540271     -1.771522      9.179586
  C       0.218010     -2.697779      8.191775
  H       0.340905     -3.943692      1.676814
  H       1.241204     -2.413626      1.708540
  H      -0.081756     -2.617835      0.564984
  H      -0.371651     -2.469248      3.504850
  H      -2.529608     -1.909158      3.288133
  H      -2.528004     -2.551652      0.298535
  H      -2.136824     -0.938665      0.928677
  H      -3.822425      0.508201      1.827726
  H      -6.203465      1.009103      2.283227
  H      -7.938690     -0.819425      2.053958
  H      -7.220825     -3.085643      1.310226
  H      -4.834834     -3.569849      0.859780
  H      -7.445242     -6.587842      7.463800
  H      -8.462994     -6.505016      6.026903
  H      -6.886650     -7.337593      5.952740
  H      -5.961418     -5.043779      6.604952
  H      -6.347476     -3.712494      4.722931
  H      -7.424957     -5.015188      2.736532
  H      -8.278893     -5.927534      3.965842
  H      -9.525250     -4.154037      1.849669
  H     -11.186678     -2.323124      1.923800
  H     -11.419866     -0.938666      3.981717
  H      -9.975455     -1.426670      5.956460
  H      -8.320753     -3.291568      5.888476
  H      -2.373287     -7.063584      8.474635
  H      -3.660440     -7.018176      7.246982
  H      -4.034837     -6.679606      8.963578
  H      -3.899310     -4.601078      7.843349
  H      -2.230136     -3.671406      6.824682
  H       0.041454     -4.789037      6.558583
  H      -0.454108     -5.986023      7.782172
  H      -0.740440     -5.296371     10.148054
  H      -0.169024     -3.660136     11.925106
  H       0.660282     -1.393714     11.298991
  H       0.907046     -0.782768      8.893803
  H       0.348460     -2.428987      7.124381
  N      -3.966346     -2.941389      5.095658
  N      -4.754636     -1.881518      4.887977
  H      -4.521722     -1.065481      5.456908
  H      -5.018686     -1.654164      3.920763
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920571757398
  N      -2.546918     -3.853379      2.671850
  C      -2.342125     -4.826757      1.596541
  C      -1.987365     -6.181796      2.201643
  N      -2.975253     -6.527353      3.249353
  C      -4.249755     -7.029087      2.684529
  C      -5.396458     -6.747503      3.647154
  N      -5.326853     -5.357511      4.096734
  Mo     -3.502101     -4.538640      4.294953
  N      -2.328309     -5.360940      5.647646
  C      -1.610192     -6.591162      5.300764
  C      -2.433671     -7.404894      4.310349
  H      -1.423502     -7.222512      6.184150
  H      -0.614620     -6.362863      4.870436
  H      -3.295053     -7.834170      4.841661
  H      -1.844323     -8.237415      3.882394
  H      -6.344253     -6.961822      3.120930
  H      -5.351167     -7.459626      4.495250
  H      -4.431460     -6.480596      1.749121
  H      -4.178204     -8.106495      2.443014
  H      -1.535026     -4.529524      0.908843
  H      -3.247844     -4.933453      0.962646
  H      -1.001975     -6.108253      2.684785
  H      -1.938278     -6.974188      1.431408
  C       0.249161     -2.820595      1.580875
  N      -0.663705     -2.217120      2.551400
  C      -2.104258     -2.478119      2.445944
  C      -2.678459     -1.871070      1.146019
  C      -4.136928     -1.567504      1.303898
  C      -4.560256     -0.291815      1.699140
  C      -5.910361     -0.018123      1.946957
  C      -6.872823     -1.030808      1.799520
  C      -6.464881     -2.298447      1.388951
  C      -5.115273     -2.567445      1.146264
  C      -7.402141     -6.460938      6.387426
  N      -6.813895     -5.151813      6.091629
  C      -6.539419     -4.772842      4.692426
  C      -7.780826     -4.950595      3.796281
  C      -8.809936     -3.840581      3.882793
  C      -9.651123     -3.594751      2.787080
  C     -10.601140     -2.565660      2.813711
  C     -10.723707     -1.763908      3.954988
  C      -9.894738     -1.999289      5.052364
  C      -8.947347     -3.030081      5.019512
  C      -3.319746     -6.541116      8.164093
  N      -3.027697     -5.120690      8.017065
  C      -2.070004     -4.749478      6.971831
  C      -0.610000     -4.954905      7.447237
  C      -0.227917     -3.987561      8.527515
  C      -0.361058     -4.317890      9.881140
  C      -0.047620     -3.396492     10.882131
  C       0.403659     -2.122690     10.541627
  C       0.542761     -1.780653      9.192247
  C       0.227138     -2.706571      8.199264
  H       0.356178     -3.912320      1.651993
  H       1.256494     -2.390378      1.707955
  H      -0.079452     -2.578895      0.560096
  H      -0.380508     -2.474616      3.492625
  H      -2.535669     -1.903544      3.278155
  H      -2.511272     -2.552414      0.308446
  H      -2.135734     -0.944186      0.937872
  H      -3.815353      0.497688      1.824147
  H      -6.204184      0.994855      2.262418
  H      -7.915270     -0.825984      2.008650
  H      -7.207264     -3.085809      1.267409
  H      -4.816231     -3.569287      0.833971
  H      -7.423462     -6.596597      7.480021
  H      -8.444435     -6.499046      6.042893
  H      -6.879358     -7.330923      5.959776
  H      -5.937378     -5.030709      6.605444
  H      -6.330115     -3.692726      4.732653
  H      -7.422331     -5.005711      2.753377
  H      -8.273784     -5.919658      3.991861
  H      -9.550676     -4.213894      1.890882
  H     -11.240528     -2.392262      1.946224
  H     -11.457127     -0.969579      3.994254
  H      -9.980880     -1.380148      5.951681
  H      -8.306301     -3.218657      5.877822
  H      -2.417273     -7.078266      8.488188
  H      -3.703580     -7.026894      7.239842
  H      -4.073832     -6.669523      8.941956
  H      -3.895583     -4.619667      7.822803
  H      -2.218229     -3.667761      6.830071
  H       0.046788     -4.808454      6.577831
  H      -0.458197     -5.984881      7.797877
  H      -0.723703     -5.308799     10.150800
  H      -0.155690     -3.673302     11.931731
  H       0.648828     -1.401352     11.323860
  H       0.894880     -0.788704      8.916038
  H       0.327844     -2.431931      7.152460
  N      -3.949382     -2.938028      5.103600
  N      -4.746321     -1.876635      4.887638
  H      -4.545578     -1.042283      5.451120
  H      -4.998928     -1.654989      3.914353
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920549413496
  N      -2.544959     -3.863426      2.640178
  C      -2.336462     -4.847392      1.578170
  C      -1.984272     -6.196271      2.197181
  N      -2.971416     -6.531056      3.247620
  C      -4.245296     -7.036619      2.690234
  C      -5.389729     -6.746151      3.651186
  N      -5.316526     -5.353816      4.090151
  Mo     -3.493881     -4.530846      4.271548
  N      -2.320626     -5.336420      5.631413
  C      -1.604982     -6.571295      5.299010
  C      -2.430317     -7.397758      4.317914
  H      -1.418903     -7.193552      6.191884
  H      -0.608449     -6.348278      4.866092
  H      -3.291233     -7.821842      4.855299
  H      -1.842765     -8.235744      3.896954
  H      -6.338554     -6.963448      3.127689
  H      -5.345122     -7.453164      4.504577
  H      -4.428230     -6.495701      1.750389
  H      -4.174888     -8.116442      2.457649
  H      -1.526069     -4.555488      0.895022
  H      -3.236610     -4.961436      0.940788
  H      -0.999702     -6.120946      2.681142
  H      -1.936264     -6.995706      1.432984
  C       0.241520     -2.809896      1.555169
  N      -0.670617     -2.196132      2.505788
  C      -2.111236     -2.477574      2.398525
  C      -2.708052     -1.881447      1.087267
  C      -4.180104     -1.597104      1.272799
  C      -4.605653     -0.324313      1.675158
  C      -5.956732     -0.070655      1.956753
  C      -6.900189     -1.084130      1.842582
  C      -6.493315     -2.347872      1.426381
  C      -5.149311     -2.604624      1.145019
  C      -7.366856     -6.423233      6.388021
  N      -6.791496     -5.122398      6.077834
  C      -6.522889     -4.757706      4.681401
  C      -7.765272     -4.928971      3.792432
  C      -8.784185     -3.821536      3.890704
  C      -9.612531     -3.567703      2.794443
  C     -10.555885     -2.538151      2.823359
  C     -10.686503     -1.739603      3.964449
  C      -9.870760     -1.988919      5.068285
  C      -8.928456     -3.021492      5.035577
  C      -3.310838     -6.527565      8.145420
  N      -3.033172     -5.103441      7.996585
  C      -2.073942     -4.722402      6.953812
  C      -0.620643     -4.933403      7.440977
  C      -0.252000     -3.984762      8.558379
  C      -0.395787     -4.355706      9.905461
  C      -0.072662     -3.462025     10.930202
  C       0.391136     -2.172630     10.627639
  C       0.528255     -1.786133      9.293475
  C       0.214305     -2.687137      8.267690
  H       0.361707     -3.913513      1.657662
  H       1.239913     -2.358698      1.677673
  H      -0.096703     -2.587530      0.531954
  H      -0.378681     -2.446151      3.455815
  H      -2.546309     -1.898478      3.219249
  H      -2.555618     -2.566527      0.235534
  H      -2.163639     -0.949793      0.864481
  H      -3.865763      0.472295      1.777579
  H      -6.268831      0.913867      2.272967
  H      -7.939985     -0.893593      2.080954
  H      -7.227623     -3.145185      1.332448
  H      -4.849072     -3.607725      0.830040
  H      -7.389167     -6.532516      7.482727
  H      -8.412294     -6.470900      6.040665
  H      -6.826496     -7.300805      5.973296
  H      -5.917631     -5.006902      6.583629
  H      -6.309589     -3.678896      4.713346
  H      -7.419908     -4.978811      2.753773
  H      -8.261332     -5.896273      3.985798
  H      -9.509535     -4.179127      1.889973
  H     -11.184694     -2.355777      1.952797
  H     -11.421692     -0.926108      3.986358
  H      -9.964353     -1.372342      5.966688
  H      -8.295878     -3.219667      5.903805
  H      -2.398887     -7.061912      8.460994
  H      -3.689424     -7.013824      7.225691
  H      -4.060688     -6.665317      8.935398
  H      -3.904167     -4.605781      7.808095
  H      -2.222570     -3.639538      6.815566
  H       0.048746     -4.773685      6.578893
  H      -0.478482     -5.977085      7.772170
  H      -0.768790     -5.359126     10.145976
  H      -0.178183     -3.772880     11.964744
  H       0.643483     -1.472478     11.429338
  H       0.889056     -0.780469      9.048387
  H       0.319902     -2.380441      7.229588
  N      -3.940182     -2.917112      5.059396
  N      -4.732991     -1.857966      4.842182
  H      -4.518056     -1.039897      5.402253
  H      -4.996307     -1.637636      3.873730
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920661354637
  N      -2.547209     -3.854212      2.675507
  C      -2.342512     -4.825905      1.599119
  C      -1.990154     -6.182754      2.202130
  N      -2.979503     -6.527297      3.248738
  C      -4.252268     -7.027602      2.681616
  C      -5.400494     -6.749766      3.642048
  N      -5.329619     -5.365479      4.104656
  Mo     -3.507172     -4.541949      4.296510
  N      -2.335619     -5.361915      5.648104
  C      -1.616373     -6.591379      5.300417
  C      -2.439054     -7.406283      4.309669
  H      -1.428177     -7.221704      6.184310
  H      -0.621385     -6.361577      4.869263
  H      -3.299707     -7.837319      4.840496
  H      -1.848320     -8.237651      3.880816
  H      -6.346701     -6.956373      3.111372
  H      -5.360671     -7.468984      4.483295
  H      -4.431838     -6.476078      1.748528
  H      -4.179230     -8.103655      2.436340
  H      -1.535480     -4.527962      0.912611
  H      -3.248026     -4.932152      0.965548
  H      -1.005181     -6.111631      2.685844
  H      -1.943134     -6.974977      1.431586
  C       0.251628     -2.847464      1.575386
  N      -0.656416     -2.218060      2.545823
  C      -2.104247     -2.477960      2.451116
  C      -2.694564     -1.870139      1.145944
  C      -4.158983     -1.568123      1.317448
  C      -4.575994     -0.285938      1.716574
  C      -5.917941     -0.012371      1.978449
  C      -6.874277     -1.018880      1.847060
  C      -6.471719     -2.290965      1.434960
  C      -5.128061     -2.558937      1.178495
  C      -7.399611     -6.482233      6.374454
  N      -6.826336     -5.170254      6.090177
  C      -6.545002     -4.787324      4.697309
  C      -7.778472     -4.956280      3.788864
  C      -8.798095     -3.842033      3.875025
  C      -9.611905     -3.558728      2.759593
  C     -10.547615     -2.529017      2.794028
  C     -10.689231     -1.746550      3.942576
  C      -9.889534     -2.015512      5.054331
  C      -8.954110     -3.052635      5.021942
  C      -3.288575     -6.552415      8.172625
  N      -3.024497     -5.124927      8.023106
  C      -2.077039     -4.751470      6.970501
  C      -0.620561     -4.953502      7.446161
  C      -0.240261     -3.977396      8.521006
  C      -0.377330     -4.298447      9.878329
  C      -0.060692     -3.370367     10.871626
  C       0.393853     -2.098114     10.523131
  C       0.531743     -1.763586      9.173097
  C       0.220666     -2.698266      8.182029
  H       0.345859     -3.953753      1.659707
  H       1.253907     -2.411623      1.700388
  H      -0.065732     -2.623423      0.546321
  H      -0.372364     -2.470233      3.495258
  H      -2.530880     -1.907010      3.294698
  H      -2.539910     -2.558090      0.292239
  H      -2.140416     -0.943977      0.931269
  H      -3.833558      0.505052      1.831537
  H      -6.219451      0.984840      2.291692
  H      -7.937736     -0.833864      2.068890
  H      -7.214267     -3.084501      1.327250
  H      -4.829010     -3.557364      0.869196
  H      -7.424791     -6.611471      7.462439
  H      -8.440120     -6.531039      6.026030
  H      -6.858419     -7.349344      5.945862
  H      -5.953811     -5.051030      6.608018
  H      -6.336176     -3.709949      4.749726
  H      -7.413831     -5.009078      2.750164
  H      -8.277797     -5.921591      3.976908
  H      -9.498488     -4.157349      1.851802
  H     -11.162927     -2.329825      1.918357
  H     -11.419288     -0.929943      3.965119
  H      -9.992592     -1.407488      5.952845
  H      -8.335188     -3.266017      5.890882
  H      -2.375311     -7.079575      8.480970
  H      -3.658182     -7.038568      7.249514
  H      -4.039770     -6.701835      8.974735
  H      -3.898353     -4.629324      7.837707
  H      -2.226838     -3.674033      6.828446
  H       0.032751     -4.816684      6.579206
  H      -0.471529     -5.976590      7.803901
  H      -0.745430     -5.287185     10.156481
  H      -0.178371     -3.639592     11.928498
  H       0.639675     -1.371090     11.300043
  H       0.888867     -0.773475      8.889061
  H       0.340268     -2.433182      7.120632
  N      -3.953735     -2.939510      5.101833
  N      -4.744894     -1.871046      4.881255
  H      -4.550254     -1.034766      5.426701
  H      -4.980738     -1.648744      3.903005
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.920126210571
  N      -2.542125     -3.850179      2.665572
  C      -2.344370     -4.824913      1.592380
  C      -1.990395     -6.178759      2.197942
  N      -2.976928     -6.522733      3.246935
  C      -4.250586     -7.024836      2.684386
  C      -5.395600     -6.741847      3.648061
  N      -5.325151     -5.352977      4.096090
  Mo     -3.500195     -4.533369      4.288353
  N      -2.329803     -5.357501      5.642186
  C      -1.609820     -6.586427      5.295417
  C      -2.433304     -7.400805      4.306235
  H      -1.422104     -7.216479      6.178895
  H      -0.615136     -6.357207      4.863944
  H      -3.293756     -7.830470      4.838732
  H      -1.844622     -8.232958      3.875929
  H      -6.343411     -6.955588      3.123818
  H      -5.350058     -7.453173      4.495737
  H      -4.433677     -6.477757      1.749478
  H      -4.178443     -8.102087      2.443910
  H      -1.539545     -4.530718      0.902521
  H      -3.251301     -4.931016      0.963055
  H      -1.005315     -6.106021      2.680717
  H      -1.942204     -6.971596      1.428013
  C       0.235618     -2.826947      1.584635
  N      -0.664289     -2.208311      2.538460
  C      -2.098338     -2.477554      2.434072
  C      -2.677495     -1.878549      1.133780
  C      -4.138752     -1.581832      1.300818
  C      -4.559488     -0.306139      1.706482
  C      -5.902970     -0.032696      1.971282
  C      -6.866026     -1.039834      1.832239
  C      -6.470686     -2.321526      1.407284
  C      -5.123589     -2.586833      1.148746
  C      -7.391671     -6.439863      6.393792
  N      -6.812610     -5.133514      6.087069
  C      -6.539134     -4.767981      4.686123
  C      -7.777300     -4.955215      3.793719
  C      -8.803984     -3.845059      3.880435
  C      -9.642909     -3.590817      2.781669
  C     -10.588072     -2.560881      2.810864
  C     -10.711760     -1.762740      3.951967
  C      -9.884937     -2.008426      5.053628
  C      -8.943059     -3.038004      5.016846
  C      -3.313401     -6.536816      8.151850
  N      -3.026707     -5.117557      8.009443
  C      -2.073527     -4.748456      6.967197
  C      -0.614460     -4.953128      7.444920
  C      -0.243497     -3.986955      8.533430
  C      -0.371779     -4.322880      9.883301
  C      -0.062739     -3.402334     10.886933
  C       0.385465     -2.126317     10.548374
  C       0.522111     -1.779164      9.200799
  C       0.204369     -2.702586      8.210147
  H       0.344890     -3.917132      1.680124
  H       1.234919     -2.389880      1.701013
  H      -0.104552     -2.602564      0.561540
  H      -0.376779     -2.452453      3.490083
  H      -2.526054     -1.899148      3.261923
  H      -2.517389     -2.563072      0.297996
  H      -2.132299     -0.948988      0.914041
  H      -3.810419      0.482310      1.827139
  H      -6.187758      0.990060      2.297656
  H      -7.919567     -0.840718      2.057033
  H      -7.214939     -3.106519      1.293220
  H      -4.829707     -3.593585      0.830126
  H      -7.418402     -6.556566      7.491057
  H      -8.436508     -6.489684      6.042139
  H      -6.853244     -7.313313      5.977055
  H      -5.933518     -5.011745      6.598568
  H      -6.335547     -3.689921      4.719715
  H      -7.422214     -5.018050      2.750361
  H      -8.262208     -5.920997      3.995462
  H      -9.541953     -4.205794      1.885637
  H     -11.226425     -2.372939      1.934024
  H     -11.443015     -0.961872      3.987385
  H      -9.971850     -1.394372      5.953416
  H      -8.302208     -3.241190      5.886398
  H      -2.408314     -7.075038      8.476478
  H      -3.694915     -7.019914      7.223239
  H      -4.069323     -6.666826      8.929928
  H      -3.894566     -4.619127      7.818354
  H      -2.221611     -3.671699      6.824990
  H       0.048417     -4.794037      6.572367
  H      -0.456703     -5.991073      7.789502
  H      -0.728389     -5.316025     10.149438
  H      -0.179284     -3.681822     11.942551
  H       0.631224     -1.407053     11.328391
  H       0.876116     -0.786043      8.923043
  H       0.319597     -2.426336      7.153490
  N      -3.946715     -2.930151      5.090892
  N      -4.733997     -1.875862      4.887926
  H      -4.492807     -1.053390      5.453599
  H      -5.008353     -1.654902      3.922366
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.921637294652
  N      -2.545452     -3.852729      2.668361
  C      -2.346138     -4.827432      1.594536
  C      -1.992678     -6.182921      2.198710
  N      -2.976715     -6.526353      3.250289
  C      -4.253055     -7.027941      2.692892
  C      -5.395315     -6.743836      3.659524
  N      -5.321316     -5.354727      4.108723
  Mo     -3.495883     -4.536767      4.294876
  N      -2.321775     -5.359770      5.644493
  C      -1.604180     -6.589567      5.296124
  C      -2.430576     -7.404542      4.308590
  H      -1.415033     -7.220269      6.180321
  H      -0.609826     -6.360952      4.862844
  H      -3.288919     -7.835729      4.843387
  H      -1.842319     -8.236034      3.876620
  H      -6.344745     -6.955591      3.136104
  H      -5.349880     -7.456619      4.506828
  H      -4.438479     -6.481083      1.757671
  H      -4.182777     -8.105703      2.452918
  H      -1.540857     -4.532048      0.905564
  H      -3.252797     -4.933690      0.963946
  H      -1.005841     -6.112068      2.678636
  H      -1.948368     -6.975707      1.428230
  C       0.230268     -2.808802      1.562819
  N      -0.678514     -2.190148      2.523235
  C      -2.118581     -2.470840      2.431926
  C      -2.719449     -1.873157      1.130113
  C      -4.185086     -1.583345      1.310897
  C      -4.608955     -0.310674      1.723437
  C      -5.954647     -0.049675      1.999639
  C      -6.907308     -1.061791      1.865523
  C      -6.501806     -2.329314      1.439137
  C      -5.156711     -2.586884      1.169623
  C      -7.376638     -6.411208      6.418948
  N      -6.812956     -5.104608      6.093319
  C      -6.535187     -4.759249      4.689333
  C      -7.772324     -4.952158      3.793634
  C      -8.791687     -3.837128      3.855366
  C      -9.615877     -3.597738      2.744097
  C     -10.551736     -2.562546      2.746282
  C     -10.680949     -1.739725      3.868774
  C      -9.870197     -1.969928      4.982283
  C      -8.935711     -3.008723      4.977091
  C      -3.289184     -6.556509      8.158816
  N      -3.013948     -5.132043      8.016234
  C      -2.063820     -4.752657      6.968891
  C      -0.605809     -4.959006      7.444137
  C      -0.230197     -3.998158      8.538522
  C      -0.364743     -4.343874      9.889515
  C      -0.050095     -3.431351     10.898476
  C       0.403030     -2.151053     10.570899
  C       0.540091     -1.792387      9.227213
  C       0.225556     -2.709853      8.223186
  H       0.347442     -3.906398      1.661627
  H       1.228488     -2.359937      1.676716
  H      -0.107119     -2.593793      0.538254
  H      -0.383416     -2.428694      3.472498
  H      -2.547256     -1.897171      3.265942
  H      -2.563604     -2.557614      0.282525
  H      -2.179051     -0.941589      0.908249
  H      -3.866628      0.482477      1.842263
  H      -6.254674      0.948302      2.327070
  H      -7.957489     -0.875264      2.098571
  H      -7.240680     -3.123710      1.330925
  H      -4.856600     -3.586251      0.849919
  H      -7.412394     -6.505582      7.513760
  H      -8.414188     -6.481214      6.059736
  H      -6.822855     -7.285660      6.026157
  H      -5.942059     -4.962977      6.608850
  H      -6.327867     -3.679903      4.709418
  H      -7.414651     -5.030890      2.755790
  H      -8.268874     -5.913230      4.008008
  H      -9.511548     -4.229519      1.857483
  H     -11.175815     -2.392067      1.866686
  H     -11.408419     -0.925783      3.874361
  H      -9.962589     -1.333849      5.865017
  H      -8.307673     -3.193902      5.850874
  H      -2.378360     -7.089853      8.471434
  H      -3.667682     -7.038855      7.234453
  H      -4.040019     -6.698942      8.948988
  H      -3.887109     -4.633672      7.832806
  H      -2.214314     -3.672847      6.831896
  H       0.053424     -4.805141      6.576232
  H      -0.454979     -5.993859      7.786262
  H      -0.728663     -5.340084     10.149537
  H      -0.162089     -3.719772     11.945887
  H       0.650256     -1.437147     11.358632
  H       0.895899     -0.795355      8.960256
  H       0.336578     -2.424781      7.173120
  N      -3.936730     -2.932670      5.101425
  N      -4.730084     -1.869915      4.899398
  H      -4.504788     -1.042174      5.452574
  H      -5.005559     -1.649863      3.933125
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.921688744697
  N      -2.533051     -3.843721      2.669353
  C      -2.331166     -4.817482      1.595374
  C      -1.989601     -6.176031      2.199202
  N      -2.981215     -6.515801      3.244618
  C      -4.257702     -7.009266      2.680565
  C      -5.401273     -6.722156      3.644636
  N      -5.323480     -5.333961      4.096851
  Mo     -3.494646     -4.525571      4.290417
  N      -2.331294     -5.357141      5.644084
  C      -1.619441     -6.590764      5.297286
  C      -2.445161     -7.399340      4.303749
  H      -1.438768     -7.224092      6.181552
  H      -0.621376     -6.367350      4.869828
  H      -3.308219     -7.827772      4.833138
  H      -1.858806     -8.232577      3.872619
  H      -6.350229     -6.930005      3.119022
  H      -5.360135     -7.436702      4.490853
  H      -4.437146     -6.459375      1.745871
  H      -4.191792     -8.086938      2.438773
  H      -1.518866     -4.525156      0.913328
  H      -3.233531     -4.917426      0.957598
  H      -1.005101     -6.112201      2.684878
  H      -1.945740     -6.967560      1.427432
  C       0.249256     -2.800295      1.590298
  N      -0.670918     -2.174598      2.535503
  C      -2.109473     -2.460449      2.432220
  C      -2.698989     -1.869331      1.121464
  C      -4.170441     -1.595441      1.281339
  C      -4.614481     -0.328770      1.692104
  C      -5.967600     -0.083920      1.946926
  C      -6.906310     -1.106284      1.793057
  C      -6.478944     -2.366604      1.369934
  C      -5.127188     -2.608447      1.121744
  C      -7.322588     -6.403815      6.423811
  N      -6.798461     -5.083352      6.091007
  C      -6.535039     -4.739698      4.684849
  C      -7.781275     -4.939951      3.803133
  C      -8.810182     -3.835396      3.883283
  C      -9.654400     -3.602956      2.785964
  C     -10.598422     -2.576190      2.803958
  C     -10.716469     -1.754570      3.928391
  C      -9.887138     -1.979043      5.028912
  C      -8.944239     -3.010201      5.008639
  C      -3.317077     -6.546412      8.153967
  N      -3.028175     -5.124388      8.014253
  C      -2.072544     -4.752035      6.968956
  C      -0.617832     -4.971073      7.448565
  C      -0.236527     -4.012430      8.543471
  C      -0.380703     -4.355446      9.894659
  C      -0.060000     -3.445294     10.903663
  C       0.407874     -2.169667     10.576633
  C       0.553602     -1.813468      9.233455
  C       0.234340     -2.728943      8.228494
  H       0.365597     -3.897542      1.699586
  H       1.245763     -2.349645      1.712394
  H      -0.076057     -2.593885      0.560267
  H      -0.384562     -2.404534      3.489689
  H      -2.548381     -1.885695      3.259867
  H      -2.524552     -2.552396      0.275721
  H      -2.164530     -0.932579      0.906409
  H      -3.883218      0.472132      1.826482
  H      -6.285856      0.906903      2.272404
  H      -7.962101     -0.932678      2.008709
  H      -7.206445     -3.169641      1.247862
  H      -4.810049     -3.603109      0.804215
  H      -7.357878     -6.492692      7.518775
  H      -8.356384     -6.507641      6.062485
  H      -6.740747     -7.263218      6.037547
  H      -5.930150     -4.915675      6.602601
  H      -6.332888     -3.659430      4.701719
  H      -7.437141     -5.010627      2.760487
  H      -8.266806     -5.906200      4.020523
  H      -9.559214     -4.233199      1.897062
  H     -11.237671     -2.411110      1.934823
  H     -11.450167     -0.945579      3.944625
  H      -9.971178     -1.343918      5.912998
  H      -8.301428     -3.190401      5.872350
  H      -2.411432     -7.089158      8.465554
  H      -3.699066     -7.023036      7.228807
  H      -4.069592     -6.683727      8.943799
  H      -3.896049     -4.616811      7.831133
  H      -2.214126     -3.670894      6.831982
  H       0.045580     -4.825772      6.582611
  H      -0.478817     -6.006803      7.793068
  H      -0.756432     -5.347748     10.154183
  H      -0.177800     -3.732024     11.950210
  H       0.659572     -1.457450     11.364582
  H       0.920812     -0.820060      8.967213
  H       0.351683     -2.445768      7.178868
  N      -3.928258     -2.919830      5.098033
  N      -4.706365     -1.845823      4.891650
  H      -4.477083     -1.023527      5.449819
  H      -4.968334     -1.618119      3.923483
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.921938662344
  N      -2.514192     -3.839655      2.675038
  C      -2.310882     -4.812013      1.600212
  C      -1.983140     -6.174214      2.203316
  N      -2.981943     -6.510124      3.242864
  C      -4.259183     -6.994917      2.673126
  C      -5.403428     -6.702881      3.634945
  N      -5.320642     -5.314382      4.086992
  Mo     -3.487516     -4.519356      4.290295
  N      -2.337609     -5.362157      5.648893
  C      -1.632277     -6.599966      5.303330
  C      -2.456132     -7.400467      4.301698
  H      -1.462242     -7.236889      6.187233
  H      -0.629632     -6.382347      4.883734
  H      -3.323787     -7.827944      4.824213
  H      -1.870750     -8.234078      3.870160
  H      -6.351700     -6.907248      3.107307
  H      -5.367220     -7.417945      4.481021
  H      -4.432621     -6.443116      1.738279
  H      -4.198536     -8.072876      2.431055
  H      -1.489881     -4.523949      0.926440
  H      -3.208039     -4.903906      0.953928
  H      -1.000718     -6.119028      2.694303
  H      -1.940979     -6.964024      1.429833
  C       0.239142     -2.790161      1.560566
  N      -0.670433     -2.155741      2.510330
  C      -2.108145     -2.452050      2.431399
  C      -2.722606     -1.863385      1.131299
  C      -4.193707     -1.601909      1.314954
  C      -4.640002     -0.344502      1.752329
  C      -5.991368     -0.113000      2.029226
  C      -6.925328     -1.140737      1.872076
  C      -6.493643     -2.389730      1.425854
  C      -5.144168     -2.618520      1.155028
  C      -7.228964     -6.346815      6.457046
  N      -6.789711     -5.008791      6.077315
  C      -6.534079     -4.707899      4.661375
  C      -7.784769     -4.941818      3.794063
  C      -8.824126     -3.845711      3.852922
  C      -9.680082     -3.654263      2.757202
  C     -10.630694     -2.634124      2.751247
  C     -10.744160     -1.777667      3.849818
  C      -9.904789     -1.962352      4.949517
  C      -8.954892     -2.987897      4.954078
  C      -3.354297     -6.534098      8.150588
  N      -3.037440     -5.117650      8.017389
  C      -2.074622     -4.758627      6.973405
  C      -0.624402     -4.998018      7.457739
  C      -0.230963     -4.040435      8.549314
  C      -0.390060     -4.373737      9.901767
  C      -0.058324     -3.464588     10.907670
  C       0.434608     -2.199145     10.576816
  C       0.594501     -1.852563      9.233008
  C       0.265570     -2.767512      8.230327
  H       0.355559     -3.885967      1.679377
  H       1.237281     -2.339144      1.667850
  H      -0.096921     -2.593646      0.532303
  H      -0.368800     -2.373323      3.462297
  H      -2.538716     -1.881229      3.265466
  H      -2.554709     -2.541268      0.280629
  H      -2.199372     -0.921700      0.911855
  H      -3.912617      0.459419      1.890349
  H      -6.314198      0.868418      2.373723
  H      -7.978346     -0.977474      2.103541
  H      -7.216373     -3.197417      1.303496
  H      -4.823502     -3.606086      0.819720
  H      -7.287169     -6.392413      7.553580
  H      -8.242122     -6.539660      6.075223
  H      -6.577218     -7.177410      6.123445
  H      -5.939137     -4.766300      6.588415
  H      -6.340247     -3.626158      4.646324
  H      -7.448957     -5.034640      2.750534
  H      -8.259703     -5.906645      4.040703
  H      -9.588207     -4.310995      1.887216
  H     -11.278726     -2.501887      1.883342
  H     -11.481994     -0.972772      3.845844
  H      -9.985875     -1.299966      5.813803
  H      -8.304582     -3.136414      5.817491
  H      -2.458597     -7.096141      8.456742
  H      -3.747899     -6.998046      7.224282
  H      -4.106946     -6.661005      8.941074
  H      -3.894574     -4.592104      7.838100
  H      -2.201815     -3.675626      6.835568
  H       0.044213     -4.869975      6.593418
  H      -0.504886     -6.033775      7.809254
  H      -0.785806     -5.357518     10.163891
  H      -0.185385     -3.744499     11.954239
  H       0.694534     -1.487353     11.362515
  H       0.981057     -0.867185      8.964291
  H       0.392269     -2.491464      7.180739
  N      -3.911340     -2.911604      5.099690
  N      -4.670714     -1.823360      4.890640
  H      -4.431982     -1.006373      5.451998
  H      -4.922310     -1.588132      3.921425
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.922376309571
  N      -2.502807     -3.831636      2.686765
  C      -2.303704     -4.799898      1.607536
  C      -1.985337     -6.166577      2.204920
  N      -2.985464     -6.502556      3.242666
  C      -4.265600     -6.978641      2.672476
  C      -5.406272     -6.684541      3.637875
  N      -5.317567     -5.295815      4.090410
  Mo     -3.480054     -4.514833      4.298950
  N      -2.338026     -5.372833      5.655548
  C      -1.639241     -6.612828      5.304473
  C      -2.463840     -7.402719      4.295454
  H      -1.476334     -7.256038      6.185268
  H      -0.633744     -6.398742      4.890007
  H      -3.332983     -7.832945      4.813057
  H      -1.879709     -8.233866      3.857743
  H      -6.355364     -6.885691      3.111441
  H      -5.371246     -7.401563      4.482070
  H      -4.437850     -6.423388      1.739323
  H      -4.210352     -8.056376      2.427923
  H      -1.477646     -4.514681      0.938726
  H      -3.198594     -4.882772      0.956965
  H      -1.002531     -6.120511      2.696225
  H      -1.948035     -6.952385      1.427289
  C       0.215439     -2.764403      1.532828
  N      -0.686462     -2.123825      2.484923
  C      -2.121323     -2.438265      2.434431
  C      -2.766270     -1.856868      1.145904
  C      -4.235808     -1.602399      1.355349
  C      -4.678686     -0.348272      1.807793
  C      -6.026954     -0.121378      2.104126
  C      -6.960942     -1.152392      1.954543
  C      -6.530688     -2.396410      1.497688
  C      -5.184902     -2.620101      1.204589
  C      -7.097054     -6.225535      6.543359
  N      -6.778115     -4.883612      6.071275
  C      -6.533290     -4.666966      4.639996
  C      -7.789028     -4.958050      3.798228
  C      -8.838696     -3.869690      3.803514
  C      -9.700059     -3.748479      2.702467
  C     -10.656144     -2.736009      2.639536
  C     -10.770415     -1.816214      3.685553
  C      -9.926952     -1.931435      4.791027
  C      -8.970844     -2.950003      4.853399
  C      -3.382344     -6.537661      8.140777
  N      -3.032775     -5.127839      8.025398
  C      -2.066364     -4.776875      6.981560
  C      -0.619516     -5.039582      7.465690
  C      -0.211434     -4.089128      8.558146
  C      -0.384261     -4.418896      9.910213
  C      -0.039433     -3.516364     10.917188
  C       0.480012     -2.260782     10.588234
  C       0.653247     -1.917878      9.245478
  C       0.312014     -2.826579      8.241081
  H       0.339515     -3.856829      1.665712
  H       1.211954     -2.306361      1.623190
  H      -0.133439     -2.583693      0.506043
  H      -0.366404     -2.323232      3.434589
  H      -2.542844     -1.871536      3.274791
  H      -2.608985     -2.533255      0.293129
  H      -2.253187     -0.912382      0.916193
  H      -3.951875      0.457268      1.940614
  H      -6.350304      0.856055      2.458039
  H      -8.010228     -0.992066      2.200428
  H      -7.251945     -3.207185      1.383539
  H      -4.865469     -3.604947      0.859757
  H      -7.191588     -6.196156      7.638115
  H      -8.069769     -6.549565      6.145683
  H      -6.352104     -7.006021      6.296008
  H      -5.958117     -4.530707      6.567701
  H      -6.351277     -3.585759      4.564418
  H      -7.462945     -5.102506      2.757416
  H      -8.252185     -5.912256      4.102339
  H      -9.606890     -4.454011      1.871671
  H     -11.308184     -2.659979      1.767632
  H     -11.511475     -1.016665      3.635480
  H     -10.009263     -1.219458      5.615111
  H      -8.318605     -3.044102      5.722535
  H      -2.497495     -7.124897      8.431429
  H      -3.794443     -6.978204      7.211143
  H      -4.131181     -6.658508      8.934317
  H      -3.877371     -4.579992      7.859052
  H      -2.179508     -3.691625      6.849039
  H       0.052696     -4.924928      6.602182
  H      -0.519724     -6.077153      7.819000
  H      -0.801008     -5.394382     10.170152
  H      -0.175301     -3.794277     11.962702
  H       0.749999     -1.553740     11.374744
  H       1.060451     -0.940293      8.978727
  H       0.447746     -2.552985      7.192681
  N      -3.891870     -2.909646      5.120228
  N      -4.645141     -1.813257      4.929653
  H      -4.386218     -1.000767      5.488565
  H      -4.915506     -1.572030      3.967126
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.922747085844
  N      -2.506171     -3.827023      2.687128
  C      -2.326676     -4.793147      1.602180
  C      -2.006789     -6.161794      2.192666
  N      -2.996007     -6.497467      3.240463
  C      -4.284584     -6.966283      2.683060
  C      -5.414524     -6.668058      3.660097
  N      -5.314709     -5.278751      4.109954
  Mo     -3.471725     -4.512602      4.306820
  N      -2.325387     -5.384038      5.652564
  C      -1.631756     -6.623299      5.289371
  C      -2.465620     -7.404971      4.282388
  H      -1.466504     -7.272277      6.165252
  H      -0.627959     -6.410099      4.870536
  H      -3.330316     -7.838602      4.804306
  H      -1.885948     -8.233248      3.833580
  H      -6.367737     -6.865941      3.141364
  H      -5.376219     -7.386188      4.502838
  H      -4.463354     -6.408886      1.752572
  H      -4.237039     -8.043932      2.436531
  H      -1.506876     -4.512279      0.924632
  H      -3.229035     -4.870012      0.961366
  H      -1.018001     -6.121340      2.672527
  H      -1.981512     -6.944999      1.411969
  C       0.191052     -2.729604      1.501703
  N      -0.713382     -2.095040      2.453779
  C      -2.143816     -2.431095      2.423590
  C      -2.815933     -1.862802      1.144122
  C      -4.283938     -1.615412      1.372902
  C      -4.725739     -0.359114      1.822176
  C      -6.070046     -0.133664      2.134937
  C      -7.003705     -1.170307      2.008224
  C      -6.576063     -2.417496      1.554482
  C      -5.233422     -2.638010      1.241193
  C      -6.942208     -6.069718      6.653674
  N      -6.744855     -4.741244      6.087936
  C      -6.523175     -4.618990      4.643548
  C      -7.790020     -4.962471      3.840937
  C      -8.838308     -3.872401      3.774377
  C      -9.690414     -3.821575      2.660199
  C     -10.644305     -2.813668      2.522215
  C     -10.766079     -1.827755      3.505579
  C      -9.930443     -1.871146      4.622518
  C      -8.975856     -2.884034      4.759018
  C      -3.350634     -6.598026      8.112923
  N      -3.014274     -5.183627      8.025270
  C      -2.053165     -4.805865      6.986577
  C      -0.603332     -5.064383      7.466827
  C      -0.205304     -4.129099      8.574964
  C      -0.383489     -4.480303      9.920353
  C      -0.050063     -3.591554     10.943209
  C       0.465420     -2.329459     10.636171
  C       0.645851     -1.966228      9.299657
  C       0.313466     -2.860395      8.280396
  H       0.335315     -3.816388      1.646008
  H       1.179966     -2.254210      1.580323
  H      -0.168703     -2.565412      0.475413
  H      -0.379556     -2.277251      3.402125
  H      -2.558481     -1.865014      3.267484
  H      -2.666316     -2.542062      0.294139
  H      -2.313513     -0.916120      0.901472
  H      -4.000390      0.450626      1.937668
  H      -6.392439      0.849403      2.486833
  H      -8.049746     -1.010152      2.270298
  H      -7.295754     -3.232183      1.458049
  H      -4.915888     -3.624420      0.897587
  H      -7.063601     -5.975009      7.742921
  H      -7.867232     -6.519397      6.262995
  H      -6.115224     -6.782976      6.474403
  H      -5.949642     -4.290976      6.546743
  H      -6.347387     -3.543512      4.500179
  H      -7.478617     -5.178210      2.807005
  H      -8.248301     -5.892516      4.217027
  H      -9.590337     -4.579188      1.877906
  H     -11.289729     -2.794075      1.640638
  H     -11.505042     -1.033626      3.398495
  H     -10.018091     -1.107266      5.398602
  H      -8.332782     -2.923433      5.639382
  H      -2.459643     -7.181846      8.392212
  H      -3.760078     -7.023843      7.173992
  H      -4.097968     -6.741104      8.902853
  H      -3.863950     -4.640051      7.871679
  H      -2.176281     -3.720122      6.872386
  H       0.070571     -4.930366      6.606597
  H      -0.496827     -6.107046      7.804444
  H      -0.796732     -5.461016     10.162251
  H      -0.192471     -3.885635     11.984841
  H       0.727165     -1.633106     11.434517
  H       1.050708     -0.983733      9.049779
  H       0.455773     -2.570939      7.236445
  N      -3.868302     -2.911426      5.143657
  N      -4.622970     -1.812773      4.985322
  H      -4.338605     -1.004667      5.541268
  H      -4.928103     -1.564997      4.034715
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.923260977223
  N      -2.484874     -3.829075      2.686279
  C      -2.305015     -4.794160      1.600237
  C      -2.006626     -6.167598      2.190026
  N      -3.007333     -6.495675      3.229278
  C      -4.297295     -6.950082      2.662613
  C      -5.430414     -6.642254      3.633303
  N      -5.321403     -5.253323      4.081761
  Mo     -3.472168     -4.510049      4.296043
  N      -2.347611     -5.397842      5.650218
  C      -1.659339     -6.640061      5.286984
  C      -2.491657     -7.411723      4.271081
  H      -1.505519     -7.293705      6.161397
  H      -0.650900     -6.432316      4.876673
  H      -3.363092     -7.842097      4.784413
  H      -1.914258     -8.241671      3.822405
  H      -6.381491     -6.834589      3.109316
  H      -5.402946     -7.360356      4.476967
  H      -4.464368     -6.389377      1.732030
  H      -4.259109     -8.027794      2.414692
  H      -1.473306     -4.521562      0.933493
  H      -3.199900     -4.858970      0.947981
  H      -1.021459     -6.139691      2.678103
  H      -1.983355     -6.948871      1.407207
  C       0.219383     -2.752246      1.515754
  N      -0.684978     -2.105106      2.459514
  C      -2.116856     -2.434235      2.425032
  C      -2.782802     -1.859588      1.145077
  C      -4.250873     -1.608595      1.368331
  C      -4.688358     -0.356619      1.833650
  C      -6.033011     -0.128135      2.141228
  C      -6.971939     -1.156682      1.992465
  C      -6.549244     -2.399457      1.521996
  C      -5.205885     -2.623119      1.214169
  C      -6.783277     -5.958185      6.677106
  N      -6.716697     -4.640348      6.059731
  C      -6.524204     -4.574541      4.609357
  C      -7.806875     -4.956977      3.850993
  C      -8.878793     -3.888996      3.793529
  C      -9.753566     -3.871941      2.695825
  C     -10.737162     -2.891406      2.567243
  C     -10.867032     -1.899951      3.544198
  C     -10.008467     -1.909992      4.644583
  C      -9.023907     -2.894900      4.771155
  C      -3.351271     -6.634074      8.115599
  N      -3.034284     -5.215390      8.025881
  C      -2.077460     -4.825611      6.987019
  C      -0.625556     -5.076970      7.465247
  C      -0.230636     -4.139464      8.572636
  C      -0.410500     -4.488884      9.918282
  C      -0.079737     -3.598148     10.940430
  C       0.435170     -2.336030     10.632408
  C       0.617705     -1.974802      9.295634
  C       0.287459     -2.870771      8.277132
  H       0.351277     -3.840496      1.665340
  H       1.212501     -2.286504      1.599865
  H      -0.131577     -2.588043      0.486233
  H      -0.356501     -2.284361      3.410376
  H      -2.530129     -1.866893      3.269218
  H      -2.631477     -2.535358      0.292075
  H      -2.275934     -0.913388      0.909483
  H      -3.959302      0.447202      1.965404
  H      -6.352918      0.851454      2.505765
  H      -8.018505     -0.993709      2.250836
  H      -7.272790     -3.208374      1.408601
  H      -4.892664     -3.605489      0.855936
  H      -6.920874     -5.837266      7.761885
  H      -7.653530     -6.515326      6.298893
  H      -5.884498     -6.586153      6.525174
  H      -5.951097     -4.108314      6.480954
  H      -6.359873     -3.503915      4.421842
  H      -7.525755     -5.187872      2.811731
  H      -8.235004     -5.887053      4.261476
  H      -9.648604     -4.634692      1.919121
  H     -11.400200     -2.898183      1.698816
  H     -11.629874     -1.127248      3.444690
  H     -10.102010     -1.141852      5.415727
  H      -8.364772     -2.909681      5.640228
  H      -2.452179     -7.204827      8.396093
  H      -3.754361     -7.066750      7.177204
  H      -4.097310     -6.786475      8.905678
  H      -3.891187     -4.682057      7.873631
  H      -2.207486     -3.740243      6.877634
  H       0.047143     -4.940078      6.604606
  H      -0.514490     -6.119091      7.802970
  H      -0.822931     -5.469883     10.160769
  H      -0.224001     -3.890756     11.982450
  H       0.694986     -1.638140     11.430148
  H       1.022485     -0.992436      9.044891
  H       0.432217     -2.583048      7.232799
  N      -3.858864     -2.908026      5.136571
  N      -4.594249     -1.796189      4.981375
  H      -4.302291     -0.998336      5.548199
  H      -4.886119     -1.533901      4.029883
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.923787680051
  N      -2.487902     -3.841275      2.708169
  C      -2.312260     -4.799326      1.614437
  C      -2.028795     -6.180167      2.193781
  N      -3.037597     -6.508240      3.226298
  C      -4.328680     -6.948708      2.649111
  C      -5.471179     -6.632424      3.607106
  N      -5.352229     -5.247386      4.057828
  Mo     -3.498105     -4.528748      4.303050
  N      -2.387683     -5.435529      5.657782
  C      -1.692504     -6.669640      5.281017
  C      -2.527478     -7.433860      4.261839
  H      -1.532156     -7.330431      6.148314
  H      -0.686835     -6.453443      4.868273
  H      -3.401028     -7.864652      4.771610
  H      -1.952198     -8.262400      3.807424
  H      -6.416490     -6.816520      3.069868
  H      -5.463241     -7.351693      4.451730
  H      -4.480983     -6.381878      1.720197
  H      -4.298991     -8.025133      2.394979
  H      -1.475648     -4.529023      0.952479
  H      -3.205001     -4.850781      0.957966
  H      -1.046137     -6.163195      2.687050
  H      -2.006872     -6.955869      1.404919
  C       0.270983     -2.785462      1.622369
  N      -0.654153     -2.142554      2.550511
  C      -2.088690     -2.452735      2.467299
  C      -2.706791     -1.866491      1.168997
  C      -4.178523     -1.612880      1.344721
  C      -4.628058     -0.361567      1.796385
  C      -5.978916     -0.132243      2.068011
  C      -6.914079     -1.156063      1.894034
  C      -6.485248     -2.402288      1.427190
  C      -5.133704     -2.626294      1.157307
  C      -6.754311     -5.946840      6.609584
  N      -6.733193     -4.609771      6.029740
  C      -6.545861     -4.544643      4.578883
  C      -7.838501     -4.917425      3.833439
  C      -8.913216     -3.849967      3.815728
  C      -9.789070     -3.795315      2.718353
  C     -10.789952     -2.824937      2.635463
  C     -10.935380     -1.883034      3.658620
  C     -10.072590     -1.928990      4.756393
  C      -9.072748     -2.901553      4.835042
  C      -3.196896     -6.760982      8.188273
  N      -3.013221     -5.321486      8.059784
  C      -2.111867     -4.869898      6.996319
  C      -0.634991     -5.042272      7.428615
  C      -0.257369     -4.086217      8.525472
  C      -0.371385     -4.444011      9.874905
  C      -0.056720     -3.535579     10.887798
  C       0.377859     -2.248161     10.565160
  C       0.496521     -1.878574      9.222651
  C       0.179727     -2.791432      8.215631
  H       0.389847     -3.878894      1.757818
  H       1.265270     -2.329500      1.740701
  H      -0.049920     -2.602106      0.585569
  H      -0.358953     -2.339288      3.509284
  H      -2.518634     -1.883114      3.304518
  H      -2.531511     -2.541916      0.317924
  H      -2.187070     -0.921400      0.955295
  H      -3.901394      0.440614      1.946884
  H      -6.302905      0.851486      2.426404
  H      -7.967710     -0.992581      2.130231
  H      -7.207568     -3.207312      1.290504
  H      -4.815324     -3.608044      0.802666
  H      -6.893177     -5.867413      7.698174
  H      -7.604005     -6.522584      6.211541
  H      -5.831813     -6.531124      6.427968
  H      -5.966442     -4.071970      6.444727
  H      -6.370163     -3.476492      4.384792
  H      -7.579980     -5.131921      2.784557
  H      -8.256946     -5.854824      4.238146
  H      -9.673311     -4.521616      1.909129
  H     -11.454316     -2.800984      1.768541
  H     -11.713785     -1.120367      3.599102
  H     -10.176300     -1.199866      5.562830
  H      -8.410977     -2.946373      5.701967
  H      -2.246051     -7.238578      8.471283
  H      -3.568417     -7.253702      7.266300
  H      -3.918523     -6.960932      8.993612
  H      -3.918417     -4.868321      7.915459
  H      -2.301695     -3.792672      6.898865
  H      -0.000111     -4.859970      6.547979
  H      -0.451664     -6.077707      7.753263
  H      -0.719753     -5.446439     10.129876
  H      -0.154401     -3.833596     11.935636
  H       0.625615     -1.537221     11.355334
  H       0.839150     -0.876401      8.958980
  H       0.278334     -2.497711      7.165522
  N      -3.887381     -2.935430      5.159099
  N      -4.620638     -1.822794      5.020087
  H      -4.338106     -1.037317      5.610007
  H      -4.900351     -1.539393      4.069795
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.923885343560
  N      -2.481527     -3.838608      2.722715
  C      -2.309625     -4.791388      1.624228
  C      -2.040779     -6.178536      2.196432
  N      -3.055765     -6.504525      3.223705
  C      -4.347434     -6.932598      2.639052
  C      -5.491793     -6.609285      3.592316
  N      -5.364082     -5.226387      4.045307
  Mo     -3.505866     -4.526389      4.307734
  N      -2.413501     -5.451425      5.664990
  C      -1.719615     -6.684508      5.281602
  C      -2.555288     -7.439753      4.256035
  H      -1.559187     -7.350723      6.144872
  H      -0.713673     -6.466544      4.870404
  H      -3.432761     -7.869018      4.760734
  H      -1.982761     -8.268476      3.798643
  H      -6.435670     -6.785975      3.049666
  H      -5.494095     -7.329892      4.436269
  H      -4.490275     -6.361709      1.710824
  H      -4.325412     -8.008623      2.382320
  H      -1.467501     -4.523981      0.967877
  H      -3.199962     -4.830749      0.963503
  H      -1.059676     -6.173225      2.693054
  H      -2.023078     -6.949731      1.403308
  C       0.263544     -2.774681      1.622345
  N      -0.655013     -2.133289      2.558876
  C      -2.089987     -2.446687      2.485923
  C      -2.720903     -1.854342      1.195731
  C      -4.193541     -1.613508      1.387595
  C      -4.648263     -0.373442      1.864601
  C      -6.000304     -0.158016      2.145543
  C      -6.929068     -1.184217      1.955399
  C      -6.492629     -2.417961      1.468214
  C      -5.141133     -2.628784      1.189907
  C      -6.594218     -5.849620      6.635931
  N      -6.710392     -4.535299      6.016737
  C      -6.553908     -4.514284      4.559339
  C      -7.855131     -4.927614      3.850399
  C      -8.936137     -3.868491      3.795643
  C      -9.805704     -3.855764      2.692753
  C     -10.805599     -2.890220      2.567099
  C     -10.955709     -1.908481      3.550616
  C     -10.100107     -1.912058      4.654208
  C      -9.102183     -2.882375      4.778057
  C      -3.204925     -6.780140      8.220558
  N      -3.026111     -5.341638      8.072989
  C      -2.130653     -4.891413      7.003328
  C      -0.650533     -5.067313      7.421586
  C      -0.258541     -4.111024      8.514089
  C      -0.361483     -4.467043      9.865758
  C      -0.032808     -3.558649     10.873881
  C       0.402475     -2.272110     10.545631
  C       0.507959     -1.903511      9.201989
  C       0.180089     -2.817070      8.198185
  H       0.381385     -3.869119      1.753717
  H       1.259298     -2.320259      1.735536
  H      -0.063543     -2.588033      0.588747
  H      -0.351959     -2.332061      3.514720
  H      -2.516462     -1.883647      3.328680
  H      -2.547560     -2.521185      0.337045
  H      -2.209136     -0.904061      0.985789
  H      -3.926090      0.430778      2.026042
  H      -6.330379      0.812895      2.519656
  H      -7.982676     -1.030594      2.193930
  H      -7.210050     -3.225692      1.318889
  H      -4.817510     -3.601908      0.817386
  H      -6.736015     -5.754696      7.722096
  H      -7.381319     -6.519050      6.258095
  H      -5.616062     -6.339274      6.461811
  H      -5.980104     -3.923754      6.392539
  H      -6.393563     -3.452626      4.323559
  H      -7.611341     -5.187655      2.808987
  H      -8.262520     -5.848413      4.303384
  H      -9.684833     -4.611295      1.911217
  H     -11.463989     -2.900073      1.696533
  H     -11.732905     -1.147314      3.455370
  H     -10.207253     -1.150670      5.429535
  H      -8.443338     -2.891013      5.646999
  H      -2.252059     -7.252376      8.504715
  H      -3.580712     -7.286510      7.309117
  H      -3.921048     -6.971554      9.032605
  H      -3.933775     -4.895558      7.927726
  H      -2.320666     -3.813624      6.908620
  H      -0.024686     -4.888922      6.534233
  H      -0.467506     -6.102957      7.744969
  H      -0.710687     -5.468500     10.125683
  H      -0.118637     -3.855757     11.921175
  H       0.660539     -1.561194     11.332659
  H       0.850315     -0.901794      8.934468
  H       0.266617     -2.524108      7.147939
  N      -3.884576     -2.933380      5.170418
  N      -4.578825     -1.795450      5.020859
  H      -4.305171     -1.031329      5.639441
  H      -4.800789     -1.482938      4.064882
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924089645790
  N      -2.502109     -3.841955      2.720705
  C      -2.318720     -4.799477      1.628772
  C      -2.033374     -6.181178      2.208087
  N      -3.047111     -6.511842      3.235555
  C      -4.332021     -6.952200      2.646919
  C      -5.481766     -6.635878      3.594939
  N      -5.365329     -5.254403      4.052438
  Mo     -3.514415     -4.530232      4.310253
  N      -2.412080     -5.437532      5.670214
  C      -1.709919     -6.668481      5.293363
  C      -2.543307     -7.437232      4.275823
  H      -1.535021     -7.326064      6.160590
  H      -0.709250     -6.443095      4.873239
  H      -3.419486     -7.863511      4.785906
  H      -1.968846     -8.268777      3.826104
  H      -6.423653     -6.817209      3.048913
  H      -5.481459     -7.356584      4.438673
  H      -4.475455     -6.383968      1.716844
  H      -4.300336     -8.028476      2.392430
  H      -1.482909     -4.523712      0.967947
  H      -3.210925     -4.853968      0.971837
  H      -1.052870     -6.162077      2.705566
  H      -2.006932     -6.956591      1.419729
  C       0.241395     -2.774086      1.611011
  N      -0.668949     -2.144845      2.563297
  C      -2.105800     -2.449906      2.488134
  C      -2.732034     -1.850756      1.196913
  C      -4.203671     -1.591402      1.387519
  C      -4.647013     -0.342532      1.851385
  C      -6.000424     -0.108376      2.118781
  C      -6.939427     -1.123558      1.927551
  C      -6.512575     -2.366483      1.457518
  C      -5.161593     -2.596153      1.193281
  C      -6.690068     -6.024135      6.608683
  N      -6.716102     -4.674407      6.054762
  C      -6.557107     -4.575514      4.593711
  C      -7.850591     -4.954736      3.851457
  C      -8.912085     -3.877656      3.802378
  C      -9.741585     -3.802622      2.672470
  C     -10.712794     -2.808879      2.549087
  C     -10.872214     -1.858831      3.560850
  C     -10.056621     -1.923207      4.692093
  C      -9.088784     -2.923762      4.815192
  C      -3.241126     -6.721808      8.251117
  N      -3.036469     -5.289679      8.073089
  C      -2.130100     -4.865892      7.003224
  C      -0.651593     -5.051275      7.420282
  C      -0.248223     -4.092859      8.507785
  C      -0.338809     -4.445297      9.861752
  C       0.001629     -3.534664     10.863719
  C       0.434600     -2.248650     10.527911
  C       0.525763     -1.882529      9.182565
  C       0.188487     -2.798914      8.183969
  H       0.358426     -3.870546      1.724513
  H       1.238957     -2.323052      1.721971
  H      -0.094273     -2.571642      0.583868
  H      -0.363818     -2.361970      3.514616
  H      -2.532591     -1.888238      3.330445
  H      -2.566488     -2.520674      0.339394
  H      -2.210387     -0.906381      0.984405
  H      -3.916002      0.454492      2.009920
  H      -6.319373      0.867411      2.479330
  H      -7.993922     -0.954610      2.150073
  H      -7.239029     -3.166255      1.306056
  H      -4.847694     -3.576005      0.830386
  H      -6.808326     -5.968738      7.699786
  H      -7.534323     -6.610292      6.217376
  H      -5.756876     -6.581734      6.392241
  H      -5.949132     -4.134030      6.462641
  H      -6.393895     -3.505339      4.405462
  H      -7.586973     -5.192340      2.810260
  H      -8.280616     -5.881406      4.270543
  H      -9.611195     -4.531149      1.866991
  H     -11.339336     -2.769817      1.656671
  H     -11.626510     -1.074405      3.466730
  H     -10.171064     -1.186021      5.489313
  H      -8.456409     -2.977063      5.701585
  H      -2.299997     -7.206909      8.550917
  H      -3.624746     -7.243194      7.351960
  H      -3.963071     -6.880595      9.064299
  H      -3.937789     -4.839794      7.908659
  H      -2.310960     -3.787359      6.895642
  H      -0.029106     -4.880658      6.529052
  H      -0.473147     -6.087119      7.745400
  H      -0.686246     -5.446103     10.128720
  H      -0.072577     -3.829003     11.911019
  H       0.701502     -1.536305     11.310717
  H       0.865155     -0.880848      8.909564
  H       0.262051     -2.508141      7.133237
  N      -3.912312     -2.936283      5.162749
  N      -4.612907     -1.804183      4.993448
  H      -4.367532     -1.038545      5.619833
  H      -4.806127     -1.493057      4.032146
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924305485635
  N      -2.501380     -3.847340      2.720426
  C      -2.316215     -4.805577      1.629088
  C      -2.032098     -6.186761      2.209510
  N      -3.047595     -6.517172      3.235412
  C      -4.332517     -6.955538      2.645250
  C      -5.483203     -6.638586      3.592044
  N      -5.365348     -5.256752      4.050945
  Mo     -3.513294     -4.536260      4.310119
  N      -2.411167     -5.445256      5.669829
  C      -1.712646     -6.678408      5.293328
  C      -2.546939     -7.444318      4.275150
  H      -1.541035     -7.336521      6.160798
  H      -0.710916     -6.456199      4.874168
  H      -3.424839     -7.867991      4.784055
  H      -1.974503     -8.277314      3.825563
  H      -6.423152     -6.818281      3.043345
  H      -5.486442     -7.361018      4.433831
  H      -4.474039     -6.386945      1.715320
  H      -4.301841     -8.031688      2.390370
  H      -1.478926     -4.531021      0.969628
  H      -3.206864     -4.860392      0.970248
  H      -1.052230     -6.167973      2.708335
  H      -2.004608     -6.962088      1.421067
  C       0.241314     -2.775927      1.613006
  N      -0.671718     -2.147185      2.562097
  C      -2.107104     -2.455649      2.485826
  C      -2.732016     -1.860716      1.193093
  C      -4.204940     -1.603039      1.373905
  C      -4.652477     -0.353656      1.833548
  C      -6.007723     -0.118348      2.088483
  C      -6.946332     -1.134010      1.889660
  C      -6.516029     -2.378210      1.423583
  C      -5.162598     -2.608077      1.170543
  C      -6.678822     -5.964479      6.632586
  N      -6.719607     -4.629021      6.046248
  C      -6.555744     -4.564530      4.584942
  C      -7.854496     -4.946102      3.853953
  C      -8.910550     -3.863347      3.806166
  C      -9.736378     -3.776579      2.673926
  C     -10.706790     -2.780611      2.557282
  C     -10.869952     -1.841889      3.579491
  C     -10.058062     -1.918802      4.713104
  C      -9.089941     -2.919855      4.827852
  C      -3.180185     -6.768180      8.238443
  N      -3.016335     -5.329403      8.075445
  C      -2.127899     -4.875996      7.004779
  C      -0.643398     -5.035979      7.412207
  C      -0.254882     -4.083320      8.509156
  C      -0.330551     -4.454373      9.858467
  C      -0.005929     -3.549166     10.870526
  C       0.397691     -2.250756     10.548666
  C       0.475386     -1.866780      9.207363
  C       0.152008     -2.777238      8.199686
  H       0.360616     -3.870883      1.729263
  H       1.237561     -2.322620      1.724888
  H      -0.093194     -2.576406      0.584404
  H      -0.367395     -2.361407      3.514090
  H      -2.534930     -1.892367      3.326579
  H      -2.561117     -2.531328      0.338385
  H      -2.212011     -0.915647      0.981053
  H      -3.922941      0.443666      1.997494
  H      -6.329191      0.861625      2.447106
  H      -8.003137     -0.964216      2.102462
  H      -7.241285     -3.177736      1.266513
  H      -4.846113     -3.588348      0.810172
  H      -6.813089     -5.885981      7.721141
  H      -7.507139     -6.575253      6.243114
  H      -5.733189     -6.509105      6.442849
  H      -5.958586     -4.070353      6.442310
  H      -6.388693     -3.497531      4.380710
  H      -7.600822     -5.192781      2.811934
  H      -8.284146     -5.866854      4.285334
  H      -9.603935     -4.497633      1.862349
  H     -11.331171     -2.731897      1.662675
  H     -11.623480     -1.057371      3.492266
  H     -10.176120     -1.191395      5.519136
  H      -8.462205     -2.985154      5.717732
  H      -2.224378     -7.229623      8.530152
  H      -3.552410     -7.290525      7.333800
  H      -3.894795     -6.955806      9.051418
  H      -3.930362     -4.902280      7.918790
  H      -2.330905     -3.800604      6.908530
  H      -0.028565     -4.841478      6.520243
  H      -0.442085     -6.071899      7.724193
  H      -0.654853     -5.465171     10.114223
  H      -0.070132     -3.857838     11.915805
  H       0.652651     -1.542488     11.338950
  H       0.792280     -0.855481      8.944937
  H       0.215312     -2.472422      7.151697
  N      -3.914721     -2.945844      5.167246
  N      -4.622573     -1.817879      5.008853
  H      -4.369370     -1.050984      5.633282
  H      -4.833360     -1.507837      4.050331
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924354121848
  N      -2.492857     -3.841039      2.725019
  C      -2.310069     -4.797521      1.631699
  C      -2.031713     -6.180876      2.210051
  N      -3.051193     -6.509642      3.232967
  C      -4.335545     -6.943826      2.638135
  C      -5.488770     -6.623483      3.580510
  N      -5.367547     -5.242363      4.039999
  Mo     -3.513422     -4.528259      4.308819
  N      -2.418756     -5.442506      5.670978
  C      -1.723350     -6.677694      5.294560
  C      -2.557528     -7.439475      4.273440
  H      -1.554507     -7.336757      6.161543
  H      -0.720364     -6.457728      4.877118
  H      -3.439073     -7.858742      4.779520
  H      -1.987811     -8.275131      3.825353
  H      -6.427089     -6.798982      3.027489
  H      -5.498647     -7.346222      4.422019
  H      -4.471859     -6.374870      1.707790
  H      -4.307391     -8.019992      2.383214
  H      -1.472078     -4.524493      0.972721
  H      -3.201355     -4.847531      0.972849
  H      -1.052800     -6.166153      2.710867
  H      -2.005177     -6.954945      1.420275
  C       0.253569     -2.744887      1.626181
  N      -0.670834     -2.128254      2.573414
  C      -2.103654     -2.448339      2.490769
  C      -2.728656     -1.862113      1.195651
  C      -4.207063     -1.641088      1.369770
  C      -4.687876     -0.406878      1.836955
  C      -6.048681     -0.209439      2.091410
  C      -6.959407     -1.248807      1.884718
  C      -6.495602     -2.478178      1.410891
  C      -5.136434     -2.670260      1.159134
  C      -6.688931     -5.962403      6.614114
  N      -6.720986     -4.622138      6.037795
  C      -6.556567     -4.550281      4.577549
  C      -7.859298     -4.927284      3.849771
  C      -8.907892     -3.837300      3.807463
  C      -9.724588     -3.725986      2.670349
  C     -10.687635     -2.721855      2.563604
  C     -10.852890     -1.800007      3.600752
  C     -10.050929     -1.902176      4.739606
  C      -9.090130     -2.911142      4.844352
  C      -3.181546     -6.761019      8.244768
  N      -3.015448     -5.322622      8.079254
  C      -2.130152     -4.872270      7.005162
  C      -0.644702     -5.033766      7.407221
  C      -0.252257     -4.084551      8.505273
  C      -0.317579     -4.461100      9.853414
  C       0.009549     -3.558590     10.867038
  C       0.405569     -2.257544     10.547719
  C       0.473255     -1.868203      9.207362
  C       0.147135     -2.775907      8.198280
  H       0.386218     -3.838477      1.741002
  H       1.243726     -2.279303      1.741977
  H      -0.079188     -2.548454      0.596347
  H      -0.368942     -2.341207      3.526379
  H      -2.540161     -1.887402      3.329291
  H      -2.538168     -2.527149      0.340321
  H      -2.228220     -0.905273      0.989315
  H      -3.979933      0.407799      2.009383
  H      -6.395993      0.759691      2.457515
  H      -8.020933     -1.109808      2.097200
  H      -7.198761     -3.295901      1.248634
  H      -4.792216     -3.640716      0.797556
  H      -6.823625     -5.890513      7.703002
  H      -7.521434     -6.564291      6.219690
  H      -5.747476     -6.512682      6.421119
  H      -5.954814     -4.071180      6.436114
  H      -6.388321     -3.482118      4.380071
  H      -7.611087     -5.177404      2.807213
  H      -8.292426     -5.844702      4.285021
  H      -9.590934     -4.434490      1.848112
  H     -11.304808     -2.653644      1.665319
  H     -11.600505     -1.008997      3.521260
  H     -10.171217     -1.188320      5.557189
  H      -8.468721     -2.995990      5.737197
  H      -2.225413     -7.224993      8.530871
  H      -3.560944     -7.283462      7.343159
  H      -3.891797     -6.945962      9.062967
  H      -3.930044     -4.894357      7.924395
  H      -2.331443     -3.796700      6.908508
  H      -0.033893     -4.836585      6.513364
  H      -0.441964     -6.070243      7.715187
  H      -0.636058     -5.474003     10.107523
  H      -0.046947     -3.871559     11.912019
  H       0.662359     -1.551324     11.339208
  H       0.784209     -0.854819      8.946771
  H       0.202346     -2.466818      7.150561
  N      -3.919240     -2.939589      5.167004
  N      -4.618977     -1.807156      5.000745
  H      -4.375041     -1.044017      5.633867
  H      -4.809487     -1.491028      4.039222
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924445009141
  N      -2.500892     -3.848125      2.727150
  C      -2.315406     -4.805602      1.635089
  C      -2.037119     -6.188284      2.215225
  N      -3.057649     -6.516953      3.237240
  C      -4.340813     -6.953026      2.641236
  C      -5.495828     -6.631621      3.580941
  N      -5.375332     -5.250069      4.038163
  Mo     -3.521694     -4.534312      4.310321
  N      -2.427368     -5.446791      5.673955
  C      -1.730108     -6.681223      5.298275
  C      -2.564559     -7.445141      4.279310
  H      -1.557628     -7.338439      6.165768
  H      -0.728469     -6.459476      4.878352
  H      -3.446511     -7.862353      4.786443
  H      -1.995584     -8.282265      3.833041
  H      -6.433009     -6.807346      3.025684
  H      -5.508236     -7.353202      4.423531
  H      -4.475817     -6.385992      1.709567
  H      -4.311635     -8.029655      2.388365
  H      -1.476440     -4.532698      0.977367
  H      -3.205255     -4.856898      0.974685
  H      -1.058857     -6.172563      2.717260
  H      -2.008950     -6.962981      1.426088
  C       0.248900     -2.759223      1.622323
  N      -0.669260     -2.145562      2.577170
  C      -2.104080     -2.456477      2.496146
  C      -2.727201     -1.861556      1.203419
  C      -4.202585     -1.619633      1.380435
  C      -4.664979     -0.378619      1.848592
  C      -6.022528     -0.162023      2.106442
  C      -6.948195     -1.188473      1.903170
  C      -6.502986     -2.423565      1.426597
  C      -5.147450     -2.634708      1.170457
  C      -6.676874     -5.975722      6.611256
  N      -6.721747     -4.634032      6.039349
  C      -6.563794     -4.560903      4.578617
  C      -7.868444     -4.945490      3.857097
  C      -8.913931     -3.853244      3.800471
  C      -9.711633     -3.736416      2.650819
  C     -10.669629     -2.728915      2.530926
  C     -10.848788     -1.809062      3.567424
  C     -10.065996     -1.916903      4.719125
  C      -9.110665     -2.929489      4.837173
  C      -3.164213     -6.762307      8.263715
  N      -3.009462     -5.323877      8.086724
  C      -2.133326     -4.872394      7.005463
  C      -0.644283     -5.024778      7.396898
  C      -0.250237     -4.075172      8.494402
  C      -0.296878     -4.457161      9.841836
  C       0.031843     -3.554694     10.855044
  C       0.410801     -2.248276     10.536101
  C       0.459706     -1.853479      9.196592
  C       0.132036     -2.761097      8.187791
  H       0.378333     -3.854208      1.729498
  H       1.241118     -2.297797      1.737028
  H      -0.087649     -2.554673      0.595312
  H      -0.365570     -2.367881      3.527654
  H      -2.535302     -1.895088      3.337022
  H      -2.548212     -2.528548      0.346910
  H      -2.214927     -0.911037      0.995970
  H      -3.945150      0.425975      2.019340
  H      -6.354822      0.811250      2.474429
  H      -8.007035     -1.035673      2.120501
  H      -7.217706     -3.231784      1.267326
  H      -4.818276     -3.609863      0.807688
  H      -6.810003     -5.908374      7.700666
  H      -7.505228     -6.583079      6.216130
  H      -5.730882     -6.517287      6.414098
  H      -5.954793     -4.080808      6.433408
  H      -6.400601     -3.492249      4.380176
  H      -7.622514     -5.210262      2.817831
  H      -8.302225     -5.856094      4.305845
  H      -9.566796     -4.443196      1.828972
  H     -11.271525     -2.656161      1.622664
  H     -11.592371     -1.014978      3.477407
  H     -10.197329     -1.204559      5.536296
  H      -8.502381     -3.018023      5.738749
  H      -2.202930     -7.218109      8.545806
  H      -3.547466     -7.293992      7.369335
  H      -3.866809     -6.945890      9.088922
  H      -3.928626     -4.904357      7.933710
  H      -2.340726     -3.798131      6.907355
  H      -0.041674     -4.821600      6.498510
  H      -0.432372     -6.060773      7.700908
  H      -0.601835     -5.474433     10.095914
  H      -0.010033     -3.871873     11.899285
  H       0.668825     -1.542088     11.327240
  H       0.757301     -0.835810      8.936302
  H       0.172541     -2.447869      7.140619
  N      -3.934357     -2.948467      5.170699
  N      -4.635031     -1.816849      5.006050
  H      -4.398079     -1.058216      5.646800
  H      -4.817679     -1.494639      4.045269
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924488054057
  N      -2.505134     -3.851342      2.735522
  C      -2.308170     -4.809128      1.645620
  C      -2.032507     -6.191531      2.227723
  N      -3.059580     -6.521496      3.242722
  C      -4.338835     -6.957752      2.638613
  C      -5.499703     -6.637458      3.571537
  N      -5.381736     -5.256791      4.032087
  Mo     -3.528942     -4.539139      4.314317
  N      -2.437720     -5.450946      5.680877
  C      -1.740219     -6.686148      5.307703
  C      -2.572839     -7.449855      4.287479
  H      -1.568086     -7.342140      6.176127
  H      -0.738102     -6.464409      4.888711
  H      -3.457974     -7.863442      4.792133
  H      -2.004686     -8.289335      3.844664
  H      -6.433179     -6.811259      3.009342
  H      -5.518639     -7.360807      4.412453
  H      -4.468227     -6.390743      1.706085
  H      -4.307504     -8.034354      2.385848
  H      -1.464302     -4.534508      0.994639
  H      -3.192405     -4.862239      0.978109
  H      -1.057617     -6.175204      2.736237
  H      -1.998277     -6.965892      1.438535
  C       0.237741     -2.749503      1.625913
  N      -0.679929     -2.143914      2.586152
  C      -2.113625     -2.457532      2.505018
  C      -2.736026     -1.864045      1.210711
  C      -4.213139     -1.624686      1.381510
  C      -4.680392     -0.385227      1.849351
  C      -6.040345     -0.171503      2.099309
  C      -6.962978     -1.199325      1.888894
  C      -6.512271     -2.431359      1.411508
  C      -5.155096     -2.639811      1.162392
  C      -6.674788     -5.998977      6.605617
  N      -6.726565     -4.654942      6.039431
  C      -6.570252     -4.572945      4.577905
  C      -7.878199     -4.952066      3.856783
  C      -8.910245     -3.848000      3.795037
  C      -9.674800     -3.694055      2.628020
  C     -10.615738     -2.670823      2.506022
  C     -10.810272     -1.772259      3.558156
  C     -10.060527     -1.917177      4.727645
  C      -9.122791     -2.945745      4.847971
  C      -3.154389     -6.758365      8.283411
  N      -3.003648     -5.320505      8.097345
  C      -2.135976     -4.870873      7.008516
  C      -0.643435     -5.017043      7.388029
  C      -0.244598     -4.067933      8.484565
  C      -0.265822     -4.457339      9.830677
  C       0.067467     -3.555920     10.843284
  C       0.425168     -2.243012     10.525349
  C       0.448340     -1.840771      9.187474
  C       0.116792     -2.747444      8.178853
  H       0.371970     -3.844503      1.727812
  H       1.228517     -2.284496      1.739360
  H      -0.103114     -2.541855      0.601110
  H      -0.373956     -2.371488      3.534656
  H      -2.547256     -1.897456      3.345338
  H      -2.553135     -2.530569      0.354660
  H      -2.225389     -0.912415      1.004162
  H      -3.963142      0.420527      2.025618
  H      -6.376482      0.799354      2.467395
  H      -8.023004     -1.050099      2.101577
  H      -7.224302     -3.240926      1.246553
  H      -4.822336     -3.613094      0.798208
  H      -6.814456     -5.937240      7.694544
  H      -7.496659     -6.610203      6.203199
  H      -5.723989     -6.533289      6.411584
  H      -5.960677     -4.101303      6.434943
  H      -6.408344     -3.502837      4.387286
  H      -7.636367     -5.225882      2.819292
  H      -8.320172     -5.854745      4.313255
  H      -9.517461     -4.383978      1.794156
  H     -11.191542     -2.568975      1.583962
  H     -11.539956     -0.965512      3.466165
  H     -10.204393     -1.221393      5.556950
  H      -8.536988     -3.061870      5.761149
  H      -2.189637     -7.211897      8.557016
  H      -3.547554     -7.295270      7.396656
  H      -3.847113     -6.938233      9.117497
  H      -3.924963     -4.905332      7.947647
  H      -2.347296     -3.797537      6.908015
  H      -0.049907     -4.809439      6.484546
  H      -0.424325     -6.052742      7.687981
  H      -0.554063     -5.479793     10.084372
  H       0.046169     -3.878960     11.885876
  H       0.686505     -1.537522     11.316098
  H       0.729174     -0.817949      8.928159
  H       0.136413     -2.428502      7.133242
  N      -3.955311     -2.959685      5.179981
  N      -4.655819     -1.827907      5.015138
  H      -4.434336     -1.077204      5.669982
  H      -4.820416     -1.494524      4.055200
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924524716031
  N      -2.503497     -3.857748      2.737104
  C      -2.306526     -4.814962      1.646637
  C      -2.035292     -6.198095      2.229149
  N      -3.065343     -6.526292      3.241633
  C      -4.342754     -6.961863      2.633379
  C      -5.506827     -6.638871      3.561136
  N      -5.388942     -5.257785      4.019755
  Mo     -3.535059     -4.542722      4.310934
  N      -2.448584     -5.454863      5.681174
  C      -1.751507     -6.691093      5.310458
  C      -2.582850     -7.454249      4.288793
  H      -1.581937     -7.346521      6.179805
  H      -0.748163     -6.470691      4.893666
  H      -3.470278     -7.865117      4.791665
  H      -2.015475     -8.295703      3.848697
  H      -6.438128     -6.811691      2.994891
  H      -5.530867     -7.361114      4.402765
  H      -4.467724     -6.396283      1.699406
  H      -4.311533     -8.038890      2.382427
  H      -1.460273     -4.542437      0.998114
  H      -3.189371     -4.864943      0.976931
  H      -1.061500     -6.183997      2.739812
  H      -2.000621     -6.972209      1.439716
  C       0.249270     -2.757487      1.629393
  N      -0.667615     -2.159492      2.595147
  C      -2.102795     -2.465565      2.511134
  C      -2.721144     -1.864863      1.218789
  C      -4.196194     -1.616549      1.391900
  C      -4.655034     -0.375168      1.862797
  C      -6.012732     -0.154555      2.118443
  C      -6.941585     -1.177540      1.911788
  C      -6.499279     -2.411636      1.431512
  C      -5.144379     -2.626722      1.175552
  C      -6.674762     -5.998668      6.600946
  N      -6.728882     -4.655996      6.031479
  C      -6.577315     -4.576449      4.568490
  C      -7.888480     -4.962198      3.854417
  C      -8.919849     -3.857721      3.791103
  C      -9.674046     -3.691721      2.619207
  C     -10.615951     -2.668588      2.500497
  C     -10.821108     -1.782319      3.560959
  C     -10.081326     -1.939224      4.735442
  C      -9.143515     -2.967832      4.852531
  C      -3.146991     -6.757985      8.291060
  N      -3.003490     -5.320021      8.099797
  C      -2.142340     -4.870208      7.005958
  C      -0.647399     -5.009056      7.378496
  C      -0.247756     -4.056847      8.472023
  C      -0.249024     -4.448128      9.817640
  C       0.084862     -3.544046     10.827770
  C       0.423274     -2.226609     10.507632
  C       0.426677     -1.822528      9.170077
  C       0.094491     -2.731804      8.164127
  H       0.384570     -3.853003      1.722812
  H       1.239929     -2.292804      1.745230
  H      -0.092824     -2.542254      0.606603
  H      -0.362387     -2.396213      3.541680
  H      -2.534171     -1.905880      3.353027
  H      -2.543521     -2.531038      0.361414
  H      -2.204468     -0.916087      1.013942
  H      -3.932963      0.426843      2.036538
  H      -6.342077      0.818111      2.488462
  H      -7.999669     -1.023669      2.130608
  H      -7.215917     -3.217930      1.270287
  H      -4.817966     -3.601648      0.809748
  H      -6.815121     -5.934984      7.689785
  H      -7.494943     -6.612585      6.199160
  H      -5.722946     -6.531439      6.408623
  H      -5.962479     -4.100670      6.423576
  H      -6.420055     -3.506038      4.376007
  H      -7.653413     -5.245574      2.818011
  H      -8.327512     -5.859942      4.322936
  H      -9.509237     -4.372888      1.779652
  H     -11.183872     -2.557288      1.574591
  H     -11.551425     -0.975893      3.471826
  H     -10.234062     -1.253266      5.571355
  H      -8.564051     -3.093270      5.768700
  H      -2.178430     -7.206389      8.559477
  H      -3.543884     -7.299049      7.408357
  H      -3.833259     -6.938221      9.130350
  H      -3.927139     -4.909296      7.952564
  H      -2.357836     -3.798025      6.903115
  H      -0.059721     -4.798904      6.471657
  H      -0.421601     -6.043453      7.678103
  H      -0.522032     -5.474299     10.073249
  H       0.078895     -3.868535     11.870146
  H       0.685006     -1.519012     11.296350
  H       0.692468     -0.796147      8.908997
  H       0.098560     -2.411429      7.118764
  N      -3.969670     -2.966622      5.178500
  N      -4.665459     -1.832631      5.010693
  H      -4.457452     -1.089233      5.678235
  H      -4.810229     -1.489444      4.050988
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924560606271
  N      -2.496928     -3.864279      2.744409
  C      -2.296420     -4.819452      1.652679
  C      -2.033663     -6.204607      2.234233
  N      -3.070295     -6.530934      3.240437
  C      -4.344352     -6.963851      2.623510
  C      -5.514205     -6.638542      3.542872
  N      -5.397442     -5.257518      4.001374
  Mo     -3.542109     -4.547462      4.308722
  N      -2.463290     -5.461620      5.683943
  C      -1.767496     -6.699482      5.316397
  C      -2.595665     -7.460051      4.290184
  H      -1.604670     -7.355726      6.186425
  H      -0.761172     -6.481764      4.905458
  H      -3.486836     -7.868670      4.788251
  H      -2.028257     -8.303078      3.853129
  H      -6.441702     -6.809793      2.969865
  H      -5.545891     -7.360577      4.384441
  H      -4.461345     -6.398276      1.688530
  H      -4.313266     -8.040966      2.372963
  H      -1.444452     -4.549022      1.010785
  H      -3.175104     -4.863683      0.976985
  H      -1.062491     -6.195028      2.749944
  H      -1.997186     -6.977312      1.443444
  C       0.265846     -2.763155      1.645550
  N      -0.653722     -2.172791      2.613654
  C      -2.089482     -2.473245      2.522894
  C      -2.699401     -1.869866      1.228397
  C      -4.172847     -1.612261      1.397358
  C      -4.625369     -0.364534      1.857186
  C      -5.981938     -0.134185      2.108744
  C      -6.916093     -1.154067      1.910617
  C      -6.479939     -2.395522      1.443216
  C      -5.126020     -2.619901      1.189503
  C      -6.667836     -6.008802      6.582802
  N      -6.733192     -4.664856      6.017986
  C      -6.585890     -4.580468      4.554476
  C      -7.900325     -4.968715      3.845051
  C      -8.933451     -3.865377      3.792796
  C      -9.673533     -3.670988      2.616455
  C     -10.618888     -2.648751      2.513594
  C     -10.841556     -1.792821      3.595082
  C     -10.115535     -1.978162      4.774278
  C      -9.174546     -3.005199      4.875133
  C      -3.152144     -6.753253      8.301509
  N      -3.008323     -5.316087      8.104390
  C      -2.151514     -4.871278      7.004933
  C      -0.654966     -5.006830      7.372192
  C      -0.251628     -4.046530      8.457122
  C      -0.229711     -4.432665      9.803879
  C       0.107585     -3.521026     10.806185
  C       0.426262     -2.201104     10.476691
  C       0.406720     -1.802149      9.137655
  C       0.071139     -2.718882      8.139833
  H       0.403424     -3.858871      1.732135
  H       1.255426     -2.297227      1.765787
  H      -0.075048     -2.542299      0.623604
  H      -0.351641     -2.416679      3.559281
  H      -2.522704     -1.913525      3.364147
  H      -2.523677     -2.539087      0.373029
  H      -2.175967     -0.924850      1.023382
  H      -3.899436      0.435487      2.023751
  H      -6.306789      0.844325      2.468115
  H      -7.973542     -0.992227      2.126517
  H      -7.200449     -3.199897      1.289864
  H      -4.804173     -3.599650      0.832364
  H      -6.809215     -5.951101      7.671913
  H      -7.481623     -6.629028      6.177763
  H      -5.711154     -6.532109      6.388829
  H      -5.969837     -4.105067      6.409511
  H      -6.432831     -3.508823      4.365506
  H      -7.673538     -5.251975      2.806880
  H      -8.334010     -5.866163      4.318899
  H      -9.496506     -4.329660      1.761590
  H     -11.175991     -2.515194      1.584046
  H     -11.575011     -0.988048      3.518934
  H     -10.282604     -1.316083      5.626583
  H      -8.604242     -3.152890      5.793900
  H      -2.181644     -7.201141      8.563464
  H      -3.556483     -7.296346      7.423364
  H      -3.831741     -6.930104      9.146929
  H      -3.931831     -4.903887      7.960408
  H      -2.367402     -3.799800      6.897353
  H      -0.071529     -4.801453      6.461493
  H      -0.426669     -6.038889      7.677661
  H      -0.487107     -5.460956     10.066996
  H       0.119510     -3.841619     11.849835
  H       0.690590     -1.487586     11.259164
  H       0.657110     -0.773880      8.869220
  H       0.057107     -2.402382      7.093306
  N      -3.989372     -2.977751      5.181058
  N      -4.680732     -1.841484      5.012170
  H      -4.492442     -1.108540      5.697091
  H      -4.801527     -1.484133      4.054287
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924578096809
  N      -2.492347     -3.868438      2.751784
  C      -2.288390     -4.821306      1.658624
  C      -2.032075     -6.208471      2.238545
  N      -3.073678     -6.533726      3.239921
  C      -4.345151     -6.964260      2.616170
  C      -5.518957     -6.639274      3.530218
  N      -5.403659     -5.258912      3.991263
  Mo     -3.547250     -4.551130      4.308726
  N      -2.471160     -5.465676      5.685972
  C      -1.778821     -6.706102      5.321036
  C      -2.605154     -7.464094      4.291271
  H      -1.622775     -7.363357      6.191694
  H      -0.769743     -6.492333      4.914853
  H      -3.498951     -7.871498      4.785530
  H      -2.037669     -8.307995      3.856009
  H      -6.443961     -6.808870      2.952559
  H      -5.555175     -7.362683      4.370325
  H      -4.456441     -6.397077      1.681453
  H      -4.313874     -8.041003      2.364116
  H      -1.431956     -4.551769      1.022244
  H      -3.163696     -4.860795      0.978272
  H      -1.062754     -6.202699      2.757788
  H      -1.994577     -6.979725      1.446393
  C       0.276250     -2.764660      1.661659
  N      -0.645193     -2.180798      2.631943
  C      -2.081145     -2.477451      2.535272
  C      -2.684955     -1.868891      1.240354
  C      -4.157942     -1.607596      1.406302
  C      -4.608396     -0.356837      1.859889
  C      -5.964901     -0.122094      2.106641
  C      -6.900936     -1.140506      1.909358
  C      -6.466610     -2.385345      1.449438
  C      -5.112509     -2.614380      1.200974
  C      -6.677279     -6.014953      6.575834
  N      -6.741297     -4.671928      6.009336
  C      -6.593264     -4.585913      4.545907
  C      -7.907683     -4.975345      3.836160
  C      -8.943309     -3.874201      3.791854
  C      -9.668693     -3.656797      2.610556
  C     -10.615362     -2.634714      2.517230
  C     -10.854836     -1.803044      3.613695
  C     -10.143608     -2.011567      4.798132
  C      -9.200640     -3.037527      4.889087
  C      -3.162524     -6.744552      8.305444
  N      -3.010410     -5.308512      8.106658
  C      -2.154393     -4.870908      7.003761
  C      -0.657703     -5.009947      7.369373
  C      -0.248825     -4.042009      8.445413
  C      -0.211096     -4.420526      9.793920
  C       0.131732     -3.501619     10.787714
  C       0.440095     -2.181944     10.447755
  C       0.404789     -1.790525      9.106795
  C       0.063865     -2.714429      8.117550
  H       0.414649     -3.860749      1.741726
  H       1.265245     -2.298563      1.786089
  H      -0.063365     -2.538102      0.640579
  H      -0.345542     -2.430854      3.576650
  H      -2.516374     -1.919892      3.376973
  H      -2.508588     -2.536892      0.384232
  H      -2.157994     -0.925170      1.038645
  H      -3.880974      0.441958      2.025604
  H      -6.289094      0.858738      2.460218
  H      -7.958874     -0.974205      2.119224
  H      -7.188612     -3.188442      1.297437
  H      -4.791814     -3.596213      0.848577
  H      -6.819820     -5.955960      7.664686
  H      -7.490520     -6.635895      6.170776
  H      -5.720621     -6.539270      6.384184
  H      -5.979404     -4.111040      6.401989
  H      -6.442143     -3.513694      4.358843
  H      -7.682468     -5.254895      2.796709
  H      -8.338078     -5.874886      4.309109
  H      -9.479703     -4.297189      1.744394
  H     -11.161016     -2.483277      1.583629
  H     -11.590067     -0.999236      3.545169
  H     -10.324133     -1.368322      5.662047
  H      -8.640592     -3.203117      5.811197
  H      -2.193284     -7.197742      8.562945
  H      -3.573968     -7.285310      7.429246
  H      -3.839057     -6.916847      9.154222
  H      -3.931241     -4.889427      7.965586
  H      -2.366686     -3.799181      6.892555
  H      -0.074671     -4.814013      6.456336
  H      -0.432815     -6.040210      7.683147
  H      -0.460194     -5.448719     10.065400
  H       0.156098     -3.816463     11.832912
  H       0.708741     -1.462745     11.223508
  H       0.647100     -0.762514      8.830206
  H       0.037384     -2.403652      7.069512
  N      -4.004324     -2.985722      5.183200
  N      -4.690032     -1.846637      5.010296
  H      -4.519206     -1.121610      5.708013
  H      -4.788783     -1.479091      4.053736
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924588567208
  N      -2.490550     -3.867758      2.755737
  C      -2.285558     -4.819046      1.661386
  C      -2.031879     -6.207577      2.239446
  N      -3.074830     -6.532734      3.239590
  C      -4.346089     -6.961906      2.614295
  C      -5.520239     -6.638078      3.528203
  N      -5.405432     -5.258037      3.990536
  Mo     -3.548461     -4.551321      4.310109
  N      -2.470925     -5.466222      5.686042
  C      -1.781201     -6.707905      5.321292
  C      -2.607773     -7.464259      4.290493
  H      -1.627894     -7.366123      6.191805
  H      -0.771155     -6.496338      4.916343
  H      -3.501973     -7.872094      4.783605
  H      -2.040182     -8.307846      3.854730
  H      -6.445099     -6.807631      2.950360
  H      -5.556170     -7.362263      4.367744
  H      -4.456259     -6.392944      1.680518
  H      -4.315015     -8.038213      2.360346
  H      -1.427661     -4.549374      1.026926
  H      -3.159797     -4.856243      0.979618
  H      -1.062877     -6.203923      2.759289
  H      -1.994946     -6.977825      1.446320
  C       0.278055     -2.761649      1.671128
  N      -0.644568     -2.178909      2.640920
  C      -2.080140     -2.476074      2.541644
  C      -2.682403     -1.865465      1.246690
  C      -4.156309     -1.607364      1.410221
  C      -4.610491     -0.357501      1.862620
  C      -5.968020     -0.126058      2.106934
  C      -6.901050     -1.146797      1.907556
  C      -6.463086     -2.390555      1.448376
  C      -5.107939     -2.616501      1.203130
  C      -6.675955     -6.011818      6.574587
  N      -6.742912     -4.669564      6.007134
  C      -6.595392     -4.584918      4.544160
  C      -7.909297     -4.974971      3.834443
  C      -8.946775     -3.875524      3.791178
  C      -9.669577     -3.656913      2.608464
  C     -10.617274     -2.635903      2.514564
  C     -10.860502     -1.806335      3.611687
  C     -10.151790     -2.015910      4.797448
  C      -9.207722     -3.040835      4.889052
  C      -3.171548     -6.738635      8.305558
  N      -3.011393     -5.303576      8.106158
  C      -2.152670     -4.871188      7.003220
  C      -0.657107     -5.016898      7.370962
  C      -0.244479     -4.046167      8.443109
  C      -0.204582     -4.420060      9.792819
  C       0.142124     -3.498344     10.782682
  C       0.452184     -2.180443     10.437538
  C       0.414671     -1.793565      9.095299
  C       0.069990     -2.720232      8.109979
  H       0.415960     -3.857983      1.749841
  H       1.267008     -2.295960      1.797461
  H      -0.060210     -2.533676      0.649904
  H      -0.346050     -2.429458      3.585843
  H      -2.517170     -1.920416      3.383655
  H      -2.502829     -2.531085      0.389299
  H      -2.156666     -0.920410      1.048232
  H      -3.885085      0.442622      2.030619
  H      -6.295602      0.853568      2.460474
  H      -7.959918     -0.982550      2.114717
  H      -7.182982     -3.195052      1.294550
  H      -4.784267     -3.597597      0.851652
  H      -6.814812     -5.951834      7.663802
  H      -7.490108     -6.633937      6.173088
  H      -5.719440     -6.535876      6.380393
  H      -5.981768     -4.106862      6.398734
  H      -6.443988     -3.512951      4.355544
  H      -7.682693     -5.251927      2.794597
  H      -8.338501     -5.876493      4.304937
  H      -9.477963     -4.295610      1.741613
  H     -11.161015     -2.483944      1.579949
  H     -11.596639     -1.003320      3.542601
  H     -10.334985     -1.374065      5.661825
  H      -8.649021     -3.206643      5.811889
  H      -2.205077     -7.196698      8.564976
  H      -3.584230     -7.277781      7.429059
  H      -3.850367     -6.906918      9.153375
  H      -3.929664     -4.878831      7.964875
  H      -2.360071     -3.798642      6.891068
  H      -0.071175     -4.828440      6.458218
  H      -0.438282     -6.046815      7.689997
  H      -0.454772     -5.446912     10.068467
  H       0.168254     -3.809714     11.828880
  H       0.723874     -1.459065     11.210210
  H       0.658281     -0.766954      8.814656
  H       0.041786     -2.412868      7.060923
  N      -4.007889     -2.987114      5.185201
  N      -4.694395     -1.848592      5.012217
  H      -4.526630     -1.124065      5.711080
  H      -4.792812     -1.480555      4.055860
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924595989258
  N      -2.490869     -3.868213      2.759884
  C      -2.283974     -4.818372      1.664915
  C      -2.031907     -6.207769      2.241791
  N      -3.076115     -6.532995      3.240728
  C      -4.346956     -6.961440      2.613856
  C      -5.521614     -6.639444      3.527681
  N      -5.407985     -5.259770      3.991482
  Mo     -3.550719     -4.552699      4.312278
  N      -2.469190     -5.466430      5.685862
  C      -1.782458     -6.709663      5.322013
  C      -2.610092     -7.465106      4.291483
  H      -1.630949     -7.367972      6.192866
  H      -0.771844     -6.500667      4.917036
  H      -3.504528     -7.872766      4.784249
  H      -2.042745     -8.308840      3.855597
  H      -6.446251     -6.809428      2.949647
  H      -5.556863     -7.364496      4.366597
  H      -4.456193     -6.390525      1.681150
  H      -4.315544     -8.037239      2.357755
  H      -1.425106     -4.548158      1.031990
  H      -3.157193     -4.854642      0.981902
  H      -1.063269     -6.205370      2.762290
  H      -1.995128     -6.977375      1.448097
  C       0.277418     -2.758052      1.681479
  N      -0.647059     -2.177091      2.650410
  C      -2.082034     -2.475581      2.548105
  C      -2.682411     -1.863537      1.252753
  C      -4.156830     -1.605678      1.413413
  C      -4.612323     -0.355129      1.862493
  C      -5.970556     -0.123656      2.103450
  C      -6.902628     -1.145111      1.903748
  C      -6.463522     -2.389513      1.447502
  C      -5.107778     -2.615420      1.205703
  C      -6.680500     -6.012359      6.573954
  N      -6.746601     -4.670207      6.006356
  C      -6.598663     -4.586585      4.543718
  C      -7.911480     -4.976793      3.832927
  C      -8.949086     -3.877635      3.789054
  C      -9.666635     -3.656215      2.603587
  C     -10.613978     -2.635085      2.507775
  C     -10.861975     -1.807827      3.605558
  C     -10.158434     -2.020104      4.793942
  C      -9.214950     -3.045429      4.887553
  C      -3.175273     -6.731905      8.307744
  N      -3.009757     -5.297870      8.105476
  C      -2.149073     -4.870513      7.002077
  C      -0.654437     -5.021967      7.371023
  C      -0.238431     -4.049532      8.440452
  C      -0.191679     -4.421653      9.790344
  C       0.158399     -3.498207     10.777481
  C       0.465052     -2.180359     10.429328
  C       0.420735     -1.795172      9.086752
  C       0.072710     -2.723488      8.104239
  H       0.415678     -3.854461      1.758899
  H       1.265990     -2.292118      1.809876
  H      -0.059477     -2.528882      0.660054
  H      -0.349808     -2.427807      3.595695
  H      -2.521479     -1.921599      3.389923
  H      -2.500675     -2.527790      0.394705
  H      -2.156627     -0.918037      1.056623
  H      -3.887258      0.445197      2.031008
  H      -6.299244      0.856179      2.455317
  H      -7.961940     -0.980530      2.108339
  H      -7.183039     -3.194189      1.293089
  H      -4.783348     -3.597086      0.856742
  H      -6.814015     -5.951267      7.663770
  H      -7.498489     -6.632477      6.176965
  H      -5.726349     -6.539487      6.375734
  H      -5.984468     -4.108245      6.397310
  H      -6.446840     -3.514889      4.353681
  H      -7.682213     -5.251268      2.792992
  H      -8.340740     -5.880033      4.300147
  H      -9.471296     -4.292833      1.736061
  H     -11.153543     -2.481146      1.571050
  H     -11.597634     -1.004475      3.535001
  H     -10.345133     -1.379990      5.658862
  H      -8.659349     -3.212624      5.812032
  H      -2.211217     -7.192704      8.571481
  H      -3.587109     -7.272096      7.431505
  H      -3.857249     -6.895828      9.153864
  H      -3.926399     -4.870027      7.962702
  H      -2.352331     -3.797294      6.889118
  H      -0.066030     -4.839452      6.458603
  H      -0.440650     -6.051760      7.693911
  H      -0.438894     -5.448565     10.068615
  H       0.189766     -3.808305     11.823904
  H       0.739351     -1.457649     11.199839
  H       0.661640     -0.768560      8.803712
  H       0.039095     -2.417301      7.054992
  N      -4.014018     -2.990005      5.187765
  N      -4.698341     -1.850723      5.012704
  H      -4.537012     -1.128521      5.715383
  H      -4.789864     -1.480064      4.056755
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924598797760
  N      -2.491566     -3.868464      2.760961
  C      -2.284559     -4.818135      1.665676
  C      -2.032669     -6.207717      2.242206
  N      -3.076752     -6.533001      3.241302
  C      -4.347589     -6.961681      2.614475
  C      -5.522188     -6.640199      3.528540
  N      -5.409072     -5.260442      3.991990
  Mo     -3.551755     -4.553003      4.312949
  N      -2.467551     -5.465743      5.685034
  C      -1.781807     -6.709515      5.321733
  C      -2.610337     -7.465030      4.291984
  H      -1.630143     -7.367363      6.192901
  H      -0.771279     -6.501392      4.916007
  H      -3.504611     -7.872379      4.785281
  H      -2.043345     -8.309014      3.856065
  H      -6.446878     -6.810878      2.950797
  H      -5.556797     -7.365143      4.367625
  H      -4.456989     -6.390366      1.682029
  H      -4.315873     -8.037373      2.357915
  H      -1.425696     -4.547742      1.032814
  H      -3.157758     -4.854269      0.982594
  H      -1.063941     -6.205668      2.762511
  H      -1.996297     -6.977165      1.448368
  C       0.276364     -2.758292      1.683703
  N      -0.648002     -2.177096      2.652538
  C      -2.082926     -2.475650      2.550158
  C      -2.683438     -1.863078      1.255138
  C      -4.157877     -1.604807      1.415600
  C      -4.613286     -0.354136      1.864489
  C      -5.971577     -0.122514      2.105470
  C      -6.903713     -1.143975      1.906139
  C      -6.464681     -2.388439      1.450047
  C      -5.108975     -2.614427      1.208111
  C      -6.680589     -6.008408      6.575559
  N      -6.747617     -4.667198      6.005763
  C      -6.600077     -4.586447      4.542843
  C      -7.912638     -4.978443      3.832655
  C      -8.949963     -3.879186      3.786457
  C      -9.666828     -3.659670      2.600166
  C     -10.613458     -2.638171      2.501821
  C     -10.861498     -1.808574      3.597879
  C     -10.158796     -2.019055      4.787048
  C      -9.216046     -3.044844      4.883209
  C      -3.175185     -6.728765      8.307956
  N      -3.008366     -5.295088      8.104327
  C      -2.146788     -4.869475      7.000866
  C      -0.652559     -5.022940      7.370242
  C      -0.235680     -4.051127      8.439999
  C      -0.183736     -4.425151      9.789128
  C       0.167194     -3.502327     10.776596
  C       0.469532     -2.183225     10.429507
  C       0.420110     -1.796139      9.087628
  C       0.071253     -2.723798      8.104821
  H       0.414028     -3.854797      1.760923
  H       1.265164     -2.292935      1.812341
  H      -0.060232     -2.528736      0.662274
  H      -0.350785     -2.427729      3.597857
  H      -2.522405     -1.922049      3.392185
  H      -2.501833     -2.526969      0.396768
  H      -2.157516     -0.917531      1.059490
  H      -3.888105      0.446236      2.032367
  H      -6.300078      0.857370      2.457109
  H      -7.962975     -0.979430      2.111216
  H      -7.184304     -3.193128      1.295916
  H      -4.784778     -3.596295      0.859461
  H      -6.810894     -5.945106      7.665636
  H      -7.500192     -6.628769      6.182254
  H      -5.727292     -6.536359      6.375669
  H      -5.985156     -4.104578      6.395209
  H      -6.448711     -3.515114      4.350354
  H      -7.682688     -5.254104      2.793143
  H      -8.341782     -5.881306      4.300601
  H      -9.471364     -4.298019      1.733950
  H     -11.152321     -2.485659      1.564468
  H     -11.596515     -1.004795      3.525406
  H     -10.345580     -1.377236      5.650679
  H      -8.660836     -3.210469      5.808211
  H      -2.212084     -7.190198      8.574084
  H      -3.585982     -7.269844      7.431761
  H      -3.858852     -6.891121      9.153006
  H      -3.924709     -4.867051      7.960231
  H      -2.348531     -3.796001      6.887744
  H      -0.063196     -4.841480      6.458211
  H      -0.440427     -6.053023      7.693332
  H      -0.427473     -5.453093     10.066771
  H       0.202524     -3.813943     11.822406
  H       0.744442     -1.460993     11.200248
  H       0.657686     -0.768519      8.805383
  H       0.033637     -2.416085      7.056172
  N      -4.017325     -2.991199      5.188802
  N      -4.701864     -1.852190      5.013567
  H      -4.543116     -1.130763      5.717571
  H      -4.792114     -1.480624      4.057881
93
Coordinates from ORCA-job /scratch/magstr/orcajob__5661747-yxTw/orca E -5867.924600539348
  N      -2.492578     -3.869080      2.762109
  C      -2.285710     -4.818372      1.666550
  C      -2.033698     -6.207983      2.242896
  N      -3.077605     -6.533382      3.242167
  C      -4.348326     -6.962478      2.615356
  C      -5.523052     -6.641137      3.529298
  N      -5.410367     -5.261237      3.992074
  Mo     -3.553082     -4.553541      4.313779
  N      -2.466678     -5.465476      5.684590
  C      -1.781489     -6.709628      5.321779
  C      -2.610843     -7.465300      4.292805
  H      -1.629326     -7.366884      6.193269
  H      -0.771138     -6.502034      4.915265
  H      -3.505064     -7.871990      4.786756
  H      -2.044448     -8.309715      3.856934
  H      -6.447622     -6.812465      2.951561
  H      -5.557481     -7.365825      4.368649
  H      -4.457889     -6.391178      1.682920
  H      -4.316225     -8.038157      2.358803
  H      -1.427021     -4.547882      1.033532
  H      -3.158997     -4.854550      0.983532
  H      -1.064903     -6.206073      2.763058
  H      -1.997565     -6.977332      1.448951
  C       0.276083     -2.759126      1.686864
  N      -0.648870     -2.177606      2.654953
  C      -2.083782     -2.476207      2.552089
  C      -2.684080     -1.863181      1.257266
  C      -4.158320     -1.603970      1.417714
  C      -4.612913     -0.353216      1.867266
  C      -5.971014     -0.120772      2.108494
  C      -6.903917     -1.141490      1.908942
  C      -6.465702     -2.386012      1.452116
  C      -5.110187     -2.612775      1.209784
  C      -6.681729     -6.005635      6.575930
  N      -6.749502     -4.665046      6.004572
  C      -6.601763     -4.586517      4.541403
  C      -7.914086     -4.980135      3.831453
  C      -8.951142     -3.880669      3.783073
  C      -9.667829     -3.662795      2.596328
  C     -10.613841     -2.640922      2.496141
  C     -10.861553     -1.809381      3.590862
  C     -10.159189     -2.018336      4.780470
  C      -9.216971     -3.044450      4.878426
  C      -3.173652     -6.726194      8.308743
  N      -3.006611     -5.292713      8.103860
  C      -2.144921     -4.868510      6.999864
  C      -0.650823     -5.022840      7.368920
  C      -0.233161     -4.051627      8.438969
  C      -0.174448     -4.427973      9.787114
  C       0.177312     -3.505792     10.774942
  C       0.473773     -2.185050     10.429120
  C       0.417720     -1.795688      9.088140
  C       0.068002     -2.722662      8.105045
  H       0.413433     -3.855641      1.764318
  H       1.264897     -2.294031      1.816251
  H      -0.059588     -2.529568      0.665127
  H      -0.352122     -2.428000      3.600493
  H      -2.523299     -1.922741      3.394209
  H      -2.503002     -2.527016      0.398760
  H      -2.157685     -0.917819      1.061834
  H      -3.887194      0.446700      2.035020
  H      -6.298621      0.859342      2.460415
  H      -7.963011     -0.976564      2.114584
  H      -7.185891     -3.190203      1.297830
  H      -4.786823     -3.594711      0.860480
  H      -6.809738     -5.940778      7.666201
  H      -7.502387     -6.626262      6.185239
  H      -5.728931     -6.533862      6.374802
  H      -5.986898     -4.101923      6.393079
  H      -6.451047     -3.515428      4.347196
  H      -7.683820     -5.257309      2.792397
  H      -8.343160     -5.882324      4.300624
  H      -9.472531     -4.302691      1.731219
  H     -11.152440     -2.489552      1.558447
  H     -11.596064     -1.005270      3.517049
  H     -10.345850     -1.375159      5.643115
  H      -8.662066     -3.209015      5.803814
  H      -2.210920     -7.187757      8.575944
  H      -3.584129     -7.268098      7.432855
  H      -3.857954     -6.887605      9.153477
  H      -3.923052     -4.865183      7.958724
  H      -2.345761     -3.794930      6.886305
  H      -0.061471     -4.841599      6.456820
  H      -0.439228     -6.053135      7.691700
  H      -0.413502     -5.457242     10.063963
  H       0.217816     -3.819243     11.820025
  H       0.749277     -1.463304     11.200094
  H       0.650762     -0.766776      8.806845
  H       0.025273     -2.413161      7.057105
  N      -4.020990     -2.992812      5.190390
  N      -4.704313     -1.853197      5.014849
  H      -4.549034     -1.133593      5.721489
  H      -4.790544     -1.479305      4.059688
