93
Coordinates from ORCA-job orca E -6201.184357631586
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  H      -2.952002      5.002369      4.684472
  H      -2.329198      3.893385      3.668921
  H      -1.338508      4.830118      4.557819
93
Coordinates from ORCA-job orca E -6201.203986624044
  N      -2.576496      4.441966      7.327461
  Mo     -2.212659      2.869188      6.171503
  N      -2.437984      1.488575      7.573198
  C      -1.364921      1.307698      8.539623
  C      -0.640214      2.628646      8.773311
  N      -0.351612      3.285681      7.478335
  C      -0.230485      4.746951      7.642335
  C      -1.617848      5.330523      7.922922
  C       0.864904      2.738196      6.845418
  C       0.578619      2.675572      5.339877
  N      -0.691542      2.000315      5.194167
  H      -1.692727      6.350711      7.498395
  H      -1.800458      5.428837      9.012822
  H       0.153690      5.158410      6.700551
  H       0.479700      4.988998      8.449602
  H       1.396907      2.162043      4.812243
  H       0.520138      3.703960      4.939433
  H       1.030612      1.716180      7.206917
  H       1.750353      3.349137      7.078482
  H      -1.745240      0.950878      9.511904
  H      -0.645111      0.541389      8.178417
  H      -1.302419      3.281862      9.352455
  H       0.288560      2.472528      9.346263
  C      -3.962727      4.779157      7.536986
  C      -4.710386      3.973426      6.519068
  C      -5.950969      4.217099      6.058618
  C      -6.581170      3.522663      4.955298
  N      -5.772138      2.929134      4.050540
  C      -6.348956      2.354890      2.985589
  N      -7.627113      2.330692      2.668741
  C      -8.482537      2.894279      3.573867
  C      -9.868082      2.878434      3.308052
  C     -10.756457      3.433911      4.207051
  C     -10.290071      4.017751      5.397367
  C      -8.938846      4.053917      5.678116
  C      -8.001349      3.516193      4.768427
  C      -0.637962      0.694100      4.540254
  C      -1.460527     -0.366316      5.206783
  C      -2.421757     -1.137367      4.646836
  C      -3.007918     -1.047805      3.319333
  N      -2.887737      0.101074      2.626769
  C      -3.551442      0.212065      1.466544
  N      -4.353710     -0.667939      0.906377
  C      -4.463267     -1.871413      1.542700
  C      -5.278180     -2.870100      0.967026
  C      -5.379762     -4.109266      1.561955
  C      -4.665112     -4.391494      2.741010
  C      -3.873005     -3.428819      3.332263
  C      -3.765537     -2.138089      2.765154
  C      -3.548747      0.560635      7.786353
  C      -4.770403      1.237107      8.342886
  C      -6.031230      1.217732      7.857931
  C      -6.549097      0.609033      6.643580
  N      -5.690085      0.176740      5.704356
  C      -6.192786     -0.284804      4.551872
  N      -7.458021     -0.460099      4.230692
  C      -8.372136     -0.067671      5.167805
  C      -9.744679     -0.240769      4.887830
  C     -10.697020      0.139058      5.809828
  C     -10.306481      0.694452      7.040655
  C      -8.971142      0.871395      7.339965
  C      -7.966117      0.494846      6.420391
  H      -4.150299      5.864677      7.395999
  H      -4.290466      4.534563      8.575937
  H      -4.129303      3.096353      6.174762
  H      -6.530814      5.016565      6.524735
  H      -5.665586      1.868763      2.282868
  H     -10.200852      2.409641      2.384554
  H     -11.824778      3.415361      3.998149
  H     -11.000839      4.441656      6.104765
  H      -8.591607      4.497879      6.609462
  H       0.408840      0.332054      4.541544
  H      -0.950763      0.779889      3.489930
  H      -1.167228     -0.595493      6.232504
  H      -2.832157     -1.936266      5.264119
  H      -3.419212      1.163281      0.940392
  H      -5.803909     -2.625936      0.046705
  H      -6.005891     -4.879124      1.114604
  H      -4.735519     -5.381866      3.188015
  H      -3.314072     -3.676205      4.231788
  H      -3.250515     -0.222387      8.509441
  H      -3.812634      0.063620      6.849766
  H      -4.599061      1.783514      9.274456
  H      -6.779317      1.752608      8.441879
  H      -5.456507     -0.556443      3.793480
  H     -10.010623     -0.674512      3.926281
  H     -11.754480      0.009016      5.587076
  H     -11.064533      0.987425      7.764647
  H      -8.697313      1.292093      8.305067
  N      -2.157431      4.324677      4.546888
  H      -2.902839      5.022865      4.619600
  H      -2.268499      3.889865      3.625172
  H      -1.279302      4.853504      4.502103
93
Coordinates from ORCA-job orca E -6201.212988022275
  N      -2.581248      4.446802      7.319846
  Mo     -2.193470      2.849016      6.197600
  N      -2.413063      1.482885      7.633209
  C      -1.332200      1.320464      8.604090
  C      -0.621506      2.647287      8.815886
  N      -0.338500      3.290165      7.502775
  C      -0.234617      4.762073      7.639410
  C      -1.625079      5.343821      7.907416
  C       0.884636      2.736325      6.868758
  C       0.601526      2.661182      5.365775
  N      -0.669077      1.983387      5.218573
  H      -1.696885      6.361583      7.471123
  H      -1.809793      5.459272      8.998244
  H       0.153593      5.155087      6.688739
  H       0.478079      5.021674      8.442246
  H       1.421122      2.141655      4.839515
  H       0.553784      3.691364      4.959591
  H       1.050444      1.718585      7.247516
  H       1.768907      3.354303      7.103724
  H      -1.708184      0.977094      9.584899
  H      -0.604965      0.548611      8.258731
  H      -1.286708      3.311919      9.382548
  H       0.313105      2.513687      9.390541
  C      -3.983258      4.768702      7.512480
  C      -4.717956      3.940451      6.495554
  C      -5.955287      4.158083      6.005757
  C      -6.548066      3.433337      4.896177
  N      -5.712165      2.847524      4.011970
  C      -6.267026      2.252091      2.936271
  N      -7.550617      2.187269      2.604988
  C      -8.426097      2.738954      3.500964
  C      -9.814480      2.686630      3.227884
  C     -10.725192      3.232925      4.115646
  C     -10.280518      3.845119      5.306946
  C      -8.927961      3.917425      5.594928
  C      -7.969416      3.389614      4.694320
  C      -0.642207      0.668535      4.572827
  C      -1.529343     -0.352285      5.217839
  C      -2.507070     -1.081136      4.618970
  C      -3.043652     -0.955830      3.267221
  N      -2.857448      0.193219      2.588523
  C      -3.469025      0.329912      1.393035
  N      -4.277803     -0.526193      0.786019
  C      -4.454000     -1.727019      1.419804
  C      -5.279735     -2.702296      0.808661
  C      -5.449549     -3.941029      1.397562
  C      -4.792116     -4.249769      2.609157
  C      -3.991435     -3.310876      3.235312
  C      -3.817326     -2.019359      2.673850
  C      -3.531022      0.561070      7.865386
  C      -4.738454      1.268030      8.415847
  C      -6.007038      1.249872      7.943807
  C      -6.547152      0.571521      6.769761
  N      -5.704087      0.014577      5.884780
  C      -6.221878     -0.539100      4.772320
  N      -7.500291     -0.666463      4.442371
  C      -8.396647     -0.131880      5.328703
  C      -9.780094     -0.244980      5.047737
  C     -10.717557      0.268103      5.924768
  C     -10.303699      0.903713      7.115408
  C      -8.958457      1.026372      7.415712
  C      -7.969112      0.513629      6.538966
  H      -4.182367      5.851158      7.352319
  H      -4.316705      4.540513      8.554904
  H      -4.145979      3.047162      6.165611
  H      -6.554762      4.955531      6.457329
  H      -5.563095      1.776815      2.243809
  H     -10.131792      2.195379      2.305314
  H     -11.795588      3.183376      3.899689
  H     -11.008974      4.259037      6.008843
  H      -8.597249      4.379472      6.527937
  H       0.396800      0.275650      4.598226
  H      -0.933661      0.761349      3.517169
  H      -1.287100     -0.589505      6.258954
  H      -2.973650     -1.864077      5.222063
  H      -3.281099      1.278845      0.874793
  H      -5.760778     -2.439896     -0.136079
  H      -6.085617     -4.691195      0.921098
  H      -4.914731     -5.240453      3.053401
  H      -3.478063     -3.581358      4.159400
  H      -3.228333     -0.208525      8.604150
  H      -3.805301      0.046846      6.939213
  H      -4.549866      1.860103      9.321107
  H      -6.736282      1.844219      8.500050
  H      -5.485012     -0.931383      4.059440
  H     -10.067093     -0.743855      4.119521
  H     -11.783459      0.182167      5.698553
  H     -11.051584      1.303215      7.805135
  H      -8.665312      1.512664      8.347865
  N      -2.144977      4.316396      4.498956
  H      -2.903759      5.003336      4.559685
  H      -2.253207      3.857095      3.586795
  H      -1.275471      4.860926      4.432957
93
Coordinates from ORCA-job orca E -6201.218519390790
  N      -2.581244      4.463572      7.305602
  Mo     -2.178816      2.839327      6.220750
  N      -2.398628      1.486948      7.685102
  C      -1.311872      1.338371      8.655591
  C      -0.610473      2.668392      8.848963
  N      -0.331337      3.293288      7.521190
  C      -0.233815      4.771696      7.629632
  C      -1.622429      5.362417      7.883593
  C       0.893348      2.725876      6.889003
  C       0.613790      2.637085      5.388365
  N      -0.658756      1.966454      5.241610
  H      -1.682313      6.375737      7.432993
  H      -1.808914      5.498918      8.972931
  H       0.160511      5.141610      6.671549
  H       0.481616      5.043970      8.426964
  H       1.430491      2.106765      4.865318
  H       0.580276      3.665768      4.974110
  H       1.052361      1.713790      7.286757
  H       1.778137      3.345043      7.124507
  H      -1.683463      1.004168      9.641874
  H      -0.581216      0.563288      8.321120
  H      -1.274502      3.345445      9.403619
  H       0.328640      2.552724      9.421802
  C      -3.992384      4.783584      7.473397
  C      -4.716784      3.936687      6.460373
  C      -5.943017      4.135047      5.934149
  C      -6.498307      3.359397      4.836465
  N      -5.637870      2.691552      4.042158
  C      -6.159973      2.032166      2.982148
  N      -7.432613      1.972385      2.592362
  C      -8.329390      2.616952      3.401272
  C      -9.705317      2.596298      3.058142
  C     -10.637509      3.245485      3.849658
  C     -10.230452      3.932151      5.016903
  C      -8.891645      3.973859      5.372852
  C      -7.910213      3.342339      4.566283
  C      -0.663230      0.647088      4.604916
  C      -1.609365     -0.331230      5.230851
  C      -2.600262     -1.021198      4.601852
  C      -3.097706     -0.870614      3.235740
  N      -2.863158      0.276444      2.569149
  C      -3.432113      0.427490      1.350654
  N      -4.240675     -0.409870      0.708245
  C      -4.465358     -1.606312      1.338352
  C      -5.294159     -2.564625      0.700385
  C      -5.511958     -3.801401      1.281093
  C      -4.898480     -4.127719      2.513303
  C      -4.096104     -3.205542      3.165400
  C      -3.877281     -1.915085      2.612262
  C      -3.509401      0.555881      7.924485
  C      -4.717532      1.237383      8.503627
  C      -6.000463      1.204609      8.067037
  C      -6.562606      0.554837      6.882964
  N      -5.739002      0.072579      5.940626
  C      -6.283511     -0.446388      4.819653
  N      -7.573279     -0.590911      4.525877
  C      -8.445798     -0.134051      5.476992
  C      -9.837799     -0.285097      5.251607
  C     -10.753210      0.133351      6.200291
  C     -10.310359      0.713687      7.411726
  C      -8.957504      0.875983      7.658330
  C      -7.990578      0.456390      6.706900
  H      -4.190829      5.862348      7.288253
  H      -4.338251      4.578965      8.516286
  H      -4.165190      3.019928      6.148452
  H      -6.549762      4.951364      6.341613
  H      -5.437850      1.489795      2.361704
  H      -9.995848      2.046934      2.158359
  H     -11.697311      3.218913      3.579242
  H     -10.977337      4.425156      5.645867
  H      -8.591276      4.493866      6.286179
  H       0.364045      0.222319      4.651694
  H      -0.934033      0.748095      3.544373
  H      -1.411285     -0.574337      6.280491
  H      -3.110005     -1.786921      5.192891
  H      -3.204970      1.371831      0.840334
  H      -5.739904     -2.290747     -0.259716
  H      -6.150881     -4.536283      0.782732
  H      -5.056569     -5.116549      2.952428
  H      -3.617459     -3.491726      4.104109
  H      -3.183633     -0.214128      8.653899
  H      -3.787028      0.041585      6.999353
  H      -4.522349      1.819752      9.415257
  H      -6.722437      1.766014      8.666081
  H      -5.557596     -0.779713      4.064390
  H     -10.150117     -0.739505      4.307538
  H     -11.825235      0.016584      6.015421
  H     -11.041517      1.039891      8.157390
  H      -8.639724      1.317069      8.605439
  N      -2.128944      4.318579      4.452300
  H      -2.897076      4.995509      4.503649
  H      -2.235068      3.836147      3.552178
  H      -1.267984      4.872741      4.367582
93
Coordinates from ORCA-job orca E -6201.225116897479
  N      -2.601588      4.451721      7.294589
  Mo     -2.177457      2.812104      6.242798
  N      -2.384398      1.477018      7.727715
  C      -1.292814      1.343742      8.689809
  C      -0.604261      2.681693      8.865768
  N      -0.338369      3.290060      7.529456
  C      -0.255943      4.770421      7.616081
  C      -1.647330      5.355405      7.868019
  C       0.887568      2.722866      6.899487
  C       0.610576      2.621308      5.400415
  N      -0.658815      1.952033      5.253139
  H      -1.707658      6.366718      7.413789
  H      -1.831990      5.499082      8.955984
  H       0.134957      5.126719      6.652641
  H       0.460630      5.058746      8.405740
  H       1.427281      2.087848      4.881991
  H       0.580038      3.645590      4.977899
  H       1.048839      1.716972      7.309566
  H       1.767001      3.347741      7.134800
  H      -1.656934      1.015643      9.680401
  H      -0.559808      0.570781      8.360815
  H      -1.270296      3.362683      9.411554
  H       0.339242      2.586716      9.432917
  C      -4.014362      4.757191      7.452465
  C      -4.726581      3.898536      6.444063
  C      -5.947832      4.088183      5.903678
  C      -6.483832      3.312367      4.797155
  N      -5.611022      2.658521      4.010531
  C      -6.113986      2.007440      2.938669
  N      -7.378787      1.934209      2.537787
  C      -8.289414      2.561293      3.341395
  C      -9.659618      2.529868      2.981662
  C     -10.604700      3.168530      3.761775
  C     -10.218252      3.854409      4.934989
  C      -8.886334      3.905974      5.307012
  C      -7.891530      3.285422      4.511701
  C      -0.673626      0.636991      4.615445
  C      -1.670818     -0.302773      5.219497
  C      -2.666000     -0.964889      4.568330
  C      -3.127949     -0.809354      3.194241
  N      -2.857994      0.330442      2.527368
  C      -3.386436      0.477546      1.293947
  N      -4.183993     -0.351940      0.631914
  C      -4.449673     -1.537409      1.265849
  C      -5.275839     -2.485748      0.613517
  C      -5.534571     -3.711311      1.198166
  C      -4.965062     -4.036139      2.449187
  C      -4.166058     -3.122442      3.114760
  C      -3.908128     -1.843840      2.557313
  C      -3.492006      0.549870      7.979283
  C      -4.687223      1.234389      8.576001
  C      -5.975806      1.197234      8.162737
  C      -6.549631      0.523507      6.999098
  N      -5.731370     -0.009066      6.081830
  C      -6.276845     -0.555056      4.976645
  N      -7.563672     -0.661386      4.668228
  C      -8.431465     -0.146628      5.591643
  C      -9.823354     -0.258581      5.350557
  C     -10.736295      0.205944      6.276629
  C     -10.292850      0.797358      7.480940
  C      -8.940917      0.925877      7.741190
  C      -7.976439      0.457826      6.812377
  H      -4.222975      5.831055      7.254824
  H      -4.362707      4.560535      8.494444
  H      -4.188535      2.967260      6.142627
  H      -6.561231      4.901244      6.303330
  H      -5.380412      1.484215      2.319058
  H      -9.934448      1.982198      2.078117
  H     -11.659115      3.133780      3.479105
  H     -10.975858      4.336842      5.555863
  H      -8.602805      4.422482      6.225313
  H       0.339974      0.186627      4.691445
  H      -0.912846      0.745657      3.547451
  H      -1.515389     -0.542324      6.274785
  H      -3.211356     -1.709286      5.152266
  H      -3.139477      1.417683      0.788028
  H      -5.687506     -2.213669     -0.360218
  H      -6.171938     -4.437249      0.688882
  H      -5.154728     -5.015462      2.892862
  H      -3.722237     -3.406410      4.069196
  H      -3.157119     -0.220287      8.703460
  H      -3.782180      0.036067      7.058438
  H      -4.475371      1.833945      9.470392
  H      -6.684672      1.777631      8.756003
  H      -5.551868     -0.937232      4.246500
  H     -10.137565     -0.723143      4.414151
  H     -11.806949      0.117349      6.079941
  H     -11.022498      1.160251      8.207920
  H      -8.622257      1.378097      8.680656
  N      -2.144188      4.285723      4.427228
  H      -2.923759      4.948206      4.473781
  H      -2.250834      3.780155      3.541364
  H      -1.293752      4.849794      4.325031
93
Coordinates from ORCA-job orca E -6201.229449341112
  N      -2.646246      4.418693      7.312576
  Mo     -2.192459      2.777552      6.271458
  N      -2.369214      1.443691      7.761640
  C      -1.267337      1.324150      8.706309
  C      -0.598721      2.673843      8.868042
  N      -0.362579      3.278889      7.526245
  C      -0.303211      4.760943      7.608115
  C      -1.697537      5.326526      7.883122
  C       0.864104      2.727618      6.882652
  C       0.581204      2.623133      5.387693
  N      -0.681333      1.945986      5.244344
  H      -1.768631      6.342612      7.440032
  H      -1.866929      5.461753      8.974269
  H       0.071450      5.118360      6.639569
  H       0.421276      5.060869      8.385950
  H       1.399307      2.096248      4.865830
  H       0.543025      3.645512      4.962738
  H       1.038554      1.725113      7.294218
  H       1.734715      3.363115      7.119101
  H      -1.614158      0.991580      9.701522
  H      -0.530089      0.560672      8.370220
  H      -1.267446      3.348976      9.416441
  H       0.355382      2.603213      9.419229
  C      -4.056037      4.691984      7.473425
  C      -4.757280      3.831427      6.462084
  C      -5.978749      4.021917      5.919226
  C      -6.501128      3.286351      4.782891
  N      -5.615726      2.694364      3.964682
  C      -6.103091      2.104505      2.853581
  N      -7.359344      2.042433      2.440563
  C      -8.285074      2.603228      3.273926
  C      -9.651556      2.566932      2.905550
  C     -10.611284      3.132787      3.719726
  C     -10.243868      3.746796      4.936321
  C      -8.916629      3.800010      5.318071
  C      -7.907398      3.251464      4.491536
  C      -0.686611      0.639355      4.597552
  C      -1.703479     -0.282436      5.194460
  C      -2.686540     -0.952003      4.535032
  C      -3.121520     -0.820832      3.155982
  N      -2.851417      0.311093      2.474256
  C      -3.342625      0.421865      1.225423
  N      -4.101836     -0.432933      0.556271
  C      -4.375258     -1.606122      1.208866
  C      -5.168676     -2.578505      0.555235
  C      -5.431011     -3.791645      1.160305
  C      -4.896586     -4.079636      2.433610
  C      -4.129568     -3.141333      3.099211
  C      -3.872102     -1.875603      2.520460
  C      -3.467024      0.509563      8.012184
  C      -4.646235      1.193411      8.638058
  C      -5.940422      1.190174      8.242984
  C      -6.537301      0.568093      7.064286
  N      -5.736127      0.053520      6.122260
  C      -6.298917     -0.443160      5.004294
  N      -7.584938     -0.507010      4.702001
  C      -8.436530     -0.007924      5.647812
  C      -9.829856     -0.066958      5.403056
  C     -10.727207      0.390715      6.344539
  C     -10.266733      0.923478      7.568233
  C      -8.913326      1.003590      7.830465
  C      -7.964546      0.543377      6.883893
  H      -4.283144      5.759405      7.273779
  H      -4.404225      4.490143      8.514278
  H      -4.238462      2.888757      6.155017
  H      -6.597036      4.821358      6.335988
  H      -5.359698      1.636667      2.205437
  H      -9.911420      2.073882      1.968184
  H     -11.662660      3.095598      3.430466
  H     -11.013058      4.171246      5.582729
  H      -8.648771      4.257404      6.270345
  H       0.321946      0.183382      4.693951
  H      -0.903733      0.747730      3.523548
  H      -1.571861     -0.508339      6.254007
  H      -3.241391     -1.685738      5.122079
  H      -3.102315      1.358224      0.709660
  H      -5.553607     -2.335028     -0.435580
  H      -6.044368     -4.535618      0.650181
  H      -5.088249     -5.049107      2.895027
  H      -3.711469     -3.393799      4.073121
  H      -3.123853     -0.277290      8.714975
  H      -3.772156      0.014585      7.086364
  H      -4.413728      1.773778      9.538411
  H      -6.629107      1.766505      8.861558
  H      -5.587432     -0.816354      4.257883
  H     -10.158051     -0.484805      4.450953
  H     -11.798778      0.342203      6.145718
  H     -10.984816      1.280128      8.307756
  H      -8.580472      1.412862      8.783522
  N      -2.205185      4.265154      4.415735
  H      -3.002836      4.903766      4.472492
  H      -2.315970      3.738224      3.543588
  H      -1.372065      4.847407      4.292393
93
Coordinates from ORCA-job orca E -6201.232666365502
  N      -2.681083      4.390761      7.311432
  Mo     -2.184284      2.734630      6.310271
  N      -2.337017      1.428491      7.823560
  C      -1.231620      1.340038      8.762837
  C      -0.587328      2.705159      8.892784
  N      -0.374289      3.285990      7.535989
  C      -0.342361      4.771232      7.592187
  C      -1.744578      5.315296      7.873329
  C       0.861272      2.744085      6.897312
  C       0.583254      2.614087      5.404239
  N      -0.673868      1.924002      5.264411
  H      -1.829667      6.329371      7.426610
  H      -1.907169      5.455646      8.965138
  H       0.018843      5.118903      6.615124
  H       0.383151      5.097883      8.358668
  H       1.408753      2.088824      4.892579
  H       0.537823      3.629169      4.961963
  H       1.048809      1.750452      7.324495
  H       1.721135      3.395571      7.130099
  H      -1.567114      1.018800      9.766011
  H      -0.484553      0.582482      8.435782
  H      -1.266166      3.378614      9.430402
  H       0.372961      2.668584      9.436337
  C      -4.091486      4.630325      7.459865
  C      -4.766989      3.743475      6.453177
  C      -5.984820      3.914579      5.893225
  C      -6.470600      3.175502      4.745238
  N      -5.551709      2.608123      3.944452
  C      -5.995341      2.023370      2.812847
  N      -7.235246      1.953213      2.361360
  C      -8.197023      2.484403      3.175126
  C      -9.551527      2.420822      2.769348
  C     -10.546383      2.941444      3.571332
  C     -10.226724      3.533798      4.811555
  C      -8.912146      3.613423      5.229359
  C      -7.868289      3.110935      4.417927
  C      -0.678169      0.624700      4.608169
  C      -1.741732     -0.260620      5.179336
  C      -2.736744     -0.897813      4.504343
  C      -3.145189     -0.756378      3.122109
  N      -2.815206      0.360488      2.439994
  C      -3.275603      0.484846      1.182237
  N      -4.055490     -0.339729      0.501895
  C      -4.401193     -1.492791      1.156379
  C      -5.227624     -2.429546      0.492609
  C      -5.562444     -3.623062      1.100227
  C      -5.069590     -3.927217      2.385939
  C      -4.270438     -3.023314      3.060716
  C      -3.938082     -1.776817      2.479409
  C      -3.427455      0.491386      8.078444
  C      -4.593433      1.187122      8.714369
  C      -5.890234      1.206681      8.329131
  C      -6.504988      0.601454      7.150970
  N      -5.719097      0.079821      6.198893
  C      -6.299900     -0.402080      5.082758
  N      -7.587351     -0.446326      4.795275
  C      -8.424569      0.060003      5.750543
  C      -9.819447      0.033701      5.511301
  C     -10.700989      0.510381      6.457610
  C     -10.222123      1.029472      7.680112
  C      -8.866507      1.079094      7.935540
  C      -7.933338      0.602278      6.981851
  H      -4.343763      5.687825      7.238383
  H      -4.449482      4.437589      8.500333
  H      -4.257936      2.790300      6.163862
  H      -6.621591      4.708140      6.295044
  H      -5.224270      1.574501      2.181521
  H      -9.774067      1.941495      1.815489
  H     -11.588856      2.883372      3.254622
  H     -11.023534      3.920888      5.447783
  H      -8.681551      4.052304      6.200210
  H       0.313189      0.138599      4.733150
  H      -0.857390      0.741988      3.527521
  H      -1.643447     -0.484038      6.242537
  H      -3.332645     -1.600979      5.088755
  H      -2.977307      1.403386      0.663063
  H      -5.579621     -2.175478     -0.507748
  H      -6.201604     -4.339322      0.582173
  H      -5.318330     -4.882548      2.849723
  H      -3.883670     -3.288216      4.043978
  H      -3.083089     -0.303047      8.772853
  H      -3.743770      0.004758      7.152573
  H      -4.344897      1.764025      9.612666
  H      -6.565271      1.789266      8.956981
  H      -5.603756     -0.788439      4.328863
  H     -10.161717     -0.372334      4.559307
  H     -11.774259      0.487465      6.263922
  H     -10.928605      1.399001      8.424477
  H      -8.518633      1.478737      8.887560
  N      -2.239789      4.195579      4.396561
  H      -3.057735      4.807678      4.448083
  H      -2.345952      3.631840      3.547831
  H      -1.424734      4.796161      4.248583
93
Coordinates from ORCA-job orca E -6201.235440339094
  N      -2.692569      4.390439      7.304416
  Mo     -2.170798      2.716073      6.342597
  N      -2.321516      1.435283      7.871584
  C      -1.218420      1.365611      8.814082
  C      -0.582020      2.737464      8.917231
  N      -0.378359      3.294217      7.546724
  C      -0.355122      4.781758      7.581678
  C      -1.759783      5.318986      7.866015
  C       0.863609      2.751488      6.917552
  C       0.595358      2.603320      5.424023
  N      -0.664035      1.912108      5.281094
  H      -1.848139      6.333473      7.419983
  H      -1.918926      5.459897      8.958787
  H      -0.002422      5.119727      6.597856
  H       0.371875      5.124793      8.339911
  H       1.425520      2.070631      4.927625
  H       0.555430      3.611890      4.964516
  H       1.052524      1.762645      7.355677
  H       1.719500      3.408736      7.150271
  H      -1.551420      1.057545      9.822607
  H      -0.466486      0.607873      8.497317
  H      -1.266753      3.413754      9.443918
  H       0.380523      2.720488      9.457892
  C      -4.101413      4.616893      7.438455
  C      -4.757718      3.712454      6.433235
  C      -5.971626      3.885986      5.861423
  C      -6.454399      3.144016      4.716168
  N      -5.533772      2.562429      3.924034
  C      -5.974913      1.969586      2.794208
  N      -7.213232      1.908424      2.336751
  C      -8.177559      2.452176      3.141606
  C      -9.530477      2.395084      2.729128
  C     -10.525515      2.929542      3.523871
  C     -10.206678      3.527311      4.762184
  C      -8.893375      3.599441      5.186272
  C      -7.850271      3.084021      4.382237
  C      -0.665886      0.620125      4.615729
  C      -1.763229     -0.237619      5.165467
  C      -2.759371     -0.864760      4.479529
  C      -3.146238     -0.728620      3.093108
  N      -2.786256      0.378142      2.407742
  C      -3.231841      0.506364      1.145105
  N      -4.021135     -0.305299      0.460164
  C      -4.404653     -1.444812      1.117473
  C      -5.250303     -2.362615      0.450684
  C      -5.630346     -3.539304      1.065798
  C      -5.166822     -3.844567      2.362542
  C      -4.348401     -2.959084      3.039917
  C      -3.965952     -1.730145      2.450017
  C      -3.406752      0.491789      8.119844
  C      -4.577611      1.188193      8.747874
  C      -5.872866      1.208680      8.355387
  C      -6.488789      0.595386      7.179960
  N      -5.706700      0.064130      6.230317
  C      -6.295454     -0.432875      5.121997
  N      -7.583649     -0.490162      4.846402
  C      -8.418200      0.025410      5.798693
  C      -9.814247     -0.015901      5.569646
  C     -10.691302      0.474195      6.513776
  C     -10.205665      1.020478      7.722539
  C      -8.848464      1.081083      7.968570
  C      -7.918804      0.591632      7.016652
  H      -4.368275      5.668638      7.198779
  H      -4.474002      4.432988      8.476885
  H      -4.265823      2.743915      6.163458
  H      -6.609516      4.686850      6.249808
  H      -5.200582      1.513539      2.168386
  H      -9.751923      1.911322      1.776896
  H     -11.567423      2.877649      3.202994
  H     -11.003711      3.923352      5.393109
  H      -8.662833      4.040906      6.156737
  H       0.308583      0.107574      4.769823
  H      -0.806699      0.741114      3.529745
  H      -1.687172     -0.454644      6.232175
  H      -3.379789     -1.546778      5.064176
  H      -2.919032      1.421769      0.629664
  H      -5.582009     -2.107600     -0.556710
  H      -6.285027     -4.240592      0.545752
  H      -5.453641     -4.786305      2.833094
  H      -3.985681     -3.222633      4.032932
  H      -3.064267     -0.306555      8.810929
  H      -3.719917      0.009320      7.189868
  H      -4.331583      1.768418      9.645236
  H      -6.550461      1.792379      8.979971
  H      -5.608681     -0.829721      4.367112
  H     -10.160721     -0.441016      4.627486
  H     -11.766159      0.442035      6.328704
  H     -10.909423      1.398212      8.466066
  H      -8.495770      1.497311      8.912145
  N      -2.248676      4.143757      4.383287
  H      -3.079345      4.738409      4.427591
  H      -2.352727      3.546572      3.558178
  H      -1.443800      4.752119      4.215054
93
Coordinates from ORCA-job orca E -6201.237718419856
  N      -2.711532      4.378241      7.285957
  Mo     -2.155900      2.687579      6.372208
  N      -2.302123      1.434836      7.919187
  C      -1.200481      1.387046      8.867767
  C      -0.577511      2.767172      8.945570
  N      -0.382876      3.300245      7.560792
  C      -0.377209      4.790591      7.570757
  C      -1.788421      5.315563      7.850836
  C       0.869113      2.760617      6.944995
  C       0.614583      2.591194      5.450621
  N      -0.644512      1.894931      5.302095
  H      -1.884918      6.328703      7.403954
  H      -1.950740      5.456654      8.943646
  H      -0.032992      5.117721      6.579937
  H       0.347149      5.155120      8.321305
  H       1.451394      2.050868      4.973729
  H       0.580106      3.592159      4.972424
  H       1.061587      1.777464      7.394840
  H       1.718689      3.426451      7.177375
  H      -1.532665      1.092862      9.880764
  H      -0.440184      0.631860      8.563804
  H      -1.271445      3.443368      9.460606
  H       0.385822      2.772251      9.484706
  C      -4.126244      4.588201      7.400272
  C      -4.753949      3.659930      6.395485
  C      -5.962471      3.830859      5.807303
  C      -6.440442      3.078557      4.666358
  N      -5.521687      2.483446      3.881557
  C      -5.965228      1.882795      2.754576
  N      -7.206196      1.821175      2.296921
  C      -8.167444      2.377746      3.096519
  C      -9.521801      2.320886      2.687228
  C     -10.513612      2.868148      3.479340
  C     -10.189888      3.478588      4.711139
  C      -8.874853      3.549948      5.132022
  C      -7.835617      3.021543      4.330166
  C      -0.644083      0.611904      4.626186
  C      -1.774877     -0.218162      5.149763
  C      -2.774054     -0.827493      4.449891
  C      -3.143205     -0.683276      3.060027
  N      -2.750368      0.414124      2.375694
  C      -3.182939      0.550231      1.108059
  N      -3.980506     -0.248842      0.413691
  C      -4.396898     -1.377319      1.070130
  C      -5.256891     -2.278447      0.397360
  C      -5.677263     -3.440577      1.016409
  C      -5.242349     -3.747435      2.323487
  C      -4.408834     -2.878580      3.005944
  C      -3.983281     -1.665231      2.411284
  C      -3.381201      0.482467      8.167422
  C      -4.555227      1.169500      8.804168
  C      -5.851297      1.194252      8.414166
  C      -6.476950      0.590682      7.236586
  N      -5.705204      0.060851      6.281079
  C      -6.306269     -0.423596      5.170495
  N      -7.597526     -0.467562      4.900488
  C      -8.422592      0.049872      5.859312
  C      -9.820155      0.025068      5.635024
  C     -10.686810      0.523433      6.585090
  C     -10.188666      1.061494      7.793584
  C      -8.829474      1.104264      8.035174
  C      -7.909023      0.604847      7.077933
  H      -4.414094      5.632716      7.143478
  H      -4.512334      4.410508      8.435212
  H      -4.269651      2.679090      6.151441
  H      -6.603128      4.638752      6.177176
  H      -5.190326      1.421616      2.132732
  H      -9.747208      1.827739      1.740183
  H     -11.556901      2.816707      3.161161
  H     -10.984622      3.883258      5.340480
  H      -8.639183      3.998215      6.098526
  H       0.311727      0.073189      4.810905
  H      -0.744283      0.737047      3.536234
  H      -1.718775     -0.435067      6.218497
  H      -3.415646     -1.494801      5.029365
  H      -2.860341      1.466057      0.601658
  H      -5.568763     -2.021937     -0.616466
  H      -6.343665     -4.128355      0.492052
  H      -5.563446     -4.676517      2.798059
  H      -4.069565     -3.139784      4.008770
  H      -3.031416     -0.318928      8.850381
  H      -3.695894      0.003806      7.233515
  H      -4.305928      1.746312      9.703291
  H      -6.525095      1.778118      9.042862
  H      -5.629921     -0.814888      4.403657
  H     -10.175336     -0.391954      4.691852
  H     -11.763326      0.506060      6.404550
  H     -10.885072      1.446000      8.541326
  H      -8.468482      1.513934      8.978587
  N      -2.261745      4.069957      4.367491
  H      -3.107474      4.644000      4.399821
  H      -2.358366      3.436792      3.568515
  H      -1.469701      4.688285      4.176675
93
Coordinates from ORCA-job orca E -6201.239537017783
  N      -2.721251      4.374115      7.271026
  Mo     -2.146383      2.673291      6.392778
  N      -2.292298      1.439172      7.947358
  C      -1.193836      1.402523      8.902745
  C      -0.574132      2.785939      8.962734
  N      -0.386036      3.303038      7.568761
  C      -0.389825      4.794767      7.564563
  C      -1.803723      5.311523      7.847107
  C       0.870626      2.764949      6.960847
  C       0.626713      2.583649      5.465786
  N      -0.633992      1.888037      5.313046
  H      -1.905742      6.327359      7.408984
  H      -1.967662      5.441631      8.941059
  H      -0.056032      5.115940      6.568349
  H       0.335041      5.171360      8.308202
  H       1.466045      2.032792      5.006022
  H       0.600983      3.578204      4.974024
  H       1.062845      1.783594      7.414705
  H       1.717444      3.433451      7.194215
  H      -1.528798      1.120270      9.917822
  H      -0.431381      0.646766      8.608237
  H      -1.271386      3.463628      9.471143
  H       0.389880      2.801722      9.499353
  C      -4.139849      4.574400      7.372779
  C      -4.749430      3.635000      6.364627
  C      -5.953688      3.816760      5.769446
  C      -6.444553      3.065778      4.633461
  N      -5.538585      2.453122      3.848251
  C      -5.997147      1.853086      2.727158
  N      -7.242350      1.801903      2.277161
  C      -8.190628      2.376864      3.078050
  C      -9.548419      2.332580      2.679152
  C     -10.527810      2.898417      3.473814
  C     -10.188424      3.515636      4.697740
  C      -8.869681      3.574326      5.109077
  C      -7.842255      3.026468      4.303940
  C      -0.634959      0.612774      4.627934
  C      -1.783065     -0.202422      5.138357
  C      -2.780229     -0.808076      4.433046
  C      -3.135087     -0.665051      3.040224
  N      -2.724911      0.426257      2.356131
  C      -3.149272      0.563548      1.085771
  N      -3.941195     -0.235770      0.383689
  C      -4.372451     -1.358119      1.039769
  C      -5.230416     -2.256620      0.361019
  C      -5.673114     -3.408194      0.983912
  C      -5.264233     -3.707048      2.301100
  C      -4.431191     -2.841894      2.988408
  C      -3.981009     -1.639839      2.388819
  C      -3.367025      0.480321      8.192481
  C      -4.544094      1.160398      8.832632
  C      -5.838351      1.186030      8.439402
  C      -6.465522      0.578853      7.263960
  N      -5.696498      0.036794      6.314941
  C      -6.300909     -0.458205      5.210136
  N      -7.593442     -0.507942      4.945361
  C      -8.416364      0.022932      5.898704
  C      -9.814258     -0.005054      5.677368
  C     -10.677727      0.512482      6.619882
  C     -10.175846      1.072164      7.816638
  C      -8.816301      1.115519      8.055923
  C      -7.898330      0.596896      7.106534
  H      -4.440128      5.613650      7.110819
  H      -4.532855      4.395146      8.404330
  H      -4.273948      2.645100      6.140991
  H      -6.584650      4.636154      6.128998
  H      -5.230612      1.384934      2.101867
  H      -9.786624      1.834507      1.737975
  H     -11.573695      2.856907      3.163134
  H     -10.974023      3.934614      5.329166
  H      -8.621311      4.025831      6.070441
  H       0.305839      0.055583      4.835170
  H      -0.705515      0.737980      3.535100
  H      -1.732864     -0.418364      6.207815
  H      -3.430438     -1.468190      5.010533
  H      -2.821524      1.478574      0.582729
  H      -5.524429     -2.005473     -0.659285
  H      -6.338502     -4.093510      0.455344
  H      -5.604943     -4.626967      2.779428
  H      -4.111930     -3.094923      3.999881
  H      -3.013187     -0.324275      8.868870
  H      -3.681547      0.007280      7.255055
  H      -4.294912      1.736716      9.731895
  H      -6.513175      1.770625      9.066105
  H      -5.629281     -0.858993      4.444077
  H     -10.171093     -0.437692      4.741947
  H     -11.754619      0.494683      6.442095
  H     -10.869948      1.471925      8.558268
  H      -8.454159      1.541460      8.991356
  N      -2.279319      4.012635      4.360823
  H      -3.134425      4.573106      4.383587
  H      -2.372486      3.350889      3.584436
  H      -1.496577      4.635006      4.148575
93
Coordinates from ORCA-job orca E -6201.241143977033
  N      -2.739007      4.355217      7.250992
  Mo     -2.137427      2.648841      6.410232
  N      -2.275682      1.432971      7.974494
  C      -1.180832      1.412775      8.936322
  C      -0.571532      2.802055      8.980363
  N      -0.391244      3.305806      7.578885
  C      -0.414944      4.798200      7.559718
  C      -1.834657      5.297437      7.842005
  C       0.872328      2.776190      6.978430
  C       0.640230      2.581244      5.482968
  N      -0.616878      1.880696      5.327787
  H      -1.947132      6.316219      7.414427
  H      -2.003751      5.413202      8.936753
  H      -0.091928      5.113340      6.558125
  H       0.307640      5.191693      8.296680
  H       1.484042      2.023443      5.039745
  H       0.618804      3.569311      4.978594
  H       1.069448      1.798378      7.437757
  H       1.712346      3.452607      7.212943
  H      -1.518964      1.141291      9.953035
  H      -0.413505      0.659044      8.652477
  H      -1.274133      3.479106      9.482053
  H       0.393182      2.832439      9.514484
  C      -4.162668      4.536325      7.341148
  C      -4.751880      3.584751      6.330303
  C      -5.950023      3.767342      5.724107
  C      -6.442569      3.005922      4.595301
  N      -5.539435      2.375331      3.822649
  C      -5.998661      1.765105      2.708106
  N      -7.243040      1.713314      2.255393
  C      -8.188825      2.306817      3.044904
  C      -9.546295      2.264122      2.644128
  C     -10.523888      2.847954      3.426947
  C     -10.184272      3.482935      4.641487
  C      -8.866357      3.540286      5.055075
  C      -7.839875      2.973629      4.261325
  C      -0.622012      0.612315      4.634032
  C      -1.788076     -0.188291      5.129229
  C      -2.787968     -0.778691      4.415667
  C      -3.131599     -0.622528      3.021879
  N      -2.696125      0.463689      2.345395
  C      -3.107125      0.611789      1.072112
  N      -3.901117     -0.175394      0.358136
  C      -4.356476     -1.292101      1.007170
  C      -5.218388     -2.177495      0.316390
  C      -5.690102     -3.320020      0.933629
  C      -5.307717     -3.623454      2.257505
  C      -4.469684     -2.772537      2.955562
  C      -3.988676     -1.580216      2.360891
  C      -3.344890      0.467323      8.218391
  C      -4.517205      1.143584      8.870550
  C      -5.812446      1.181616      8.482345
  C      -6.453649      0.581395      7.310528
  N      -5.698747      0.021280      6.360891
  C      -6.316688     -0.473206      5.263959
  N      -7.611815     -0.509343      5.009458
  C      -8.420362      0.042806      5.963200
  C      -9.819987      0.032237      5.750810
  C     -10.669573      0.576664      6.690321
  C     -10.151948      1.146579      7.875100
  C      -8.790689      1.171020      8.106598
  C      -7.886711      0.623609      7.160408
  H      -4.477058      5.569383      7.076949
  H      -4.557289      4.351293      8.370305
  H      -4.276919      2.590175      6.128939
  H      -6.576004      4.596832      6.068092
  H      -5.233253      1.285689      2.090732
  H      -9.785543      1.752860      1.710428
  H     -11.569040      2.807442      3.113961
  H     -10.969080      3.916111      5.263998
  H      -8.617813      4.004471      6.010070
  H       0.304610      0.037694      4.859318
  H      -0.667777      0.740902      3.540081
  H      -1.742622     -0.412631      6.197198
  H      -3.447350     -1.434475      4.986870
  H      -2.763624      1.525188      0.576029
  H      -5.493139     -1.922482     -0.708208
  H      -6.358899     -3.994622      0.395929
  H      -5.673062     -4.535542      2.732298
  H      -4.171172     -3.028587      3.972427
  H      -2.984608     -0.342136      8.885602
  H      -3.663824      0.002742      7.278675
  H      -4.260335      1.714838      9.770750
  H      -6.478922      1.770149      9.114277
  H      -5.656152     -0.886123      4.494488
  H     -10.188265     -0.407282      4.823229
  H     -11.747545      0.573744      6.519006
  H     -10.835097      1.568779      8.614239
  H      -8.417831      1.605429      9.033786
  N      -2.304946      3.938949      4.349542
  H      -3.170654      4.483298      4.358694
  H      -2.389580      3.249982      3.595837
  H      -1.534452      4.567676      4.113350
93
Coordinates from ORCA-job orca E -6201.242675743207
  N      -2.751011      4.337211      7.221927
  Mo     -2.128442      2.624905      6.420804
  N      -2.260152      1.428557      7.997522
  C      -1.170711      1.426202      8.966780
  C      -0.569914      2.819659      8.995007
  N      -0.393659      3.309167      7.587104
  C      -0.435959      4.801477      7.550180
  C      -1.860891      5.284694      7.827718
  C       0.876099      2.785360      6.996118
  C       0.656801      2.575194      5.500759
  N      -0.596841      1.872399      5.344712
  H      -1.981934      6.305741      7.408847
  H      -2.037856      5.387604      8.922464
  H      -0.121100      5.106963      6.543001
  H       0.283438      5.212637      8.280641
  H       1.504011      2.008450      5.074974
  H       0.641878      3.556506      4.983551
  H       1.076074      1.811811      7.463272
  H       1.709894      3.469113      7.231645
  H      -1.514566      1.167437      9.984814
  H      -0.399524      0.672522      8.696052
  H      -1.276130      3.498536      9.488859
  H       0.394863      2.862516      9.527899
  C      -4.179012      4.500615      7.303738
  C      -4.754784      3.539884      6.292612
  C      -5.946463      3.724659      5.676406
  C      -6.446548      2.949209      4.559605
  N      -5.549988      2.295182      3.800340
  C      -6.014197      1.669714      2.697292
  N      -7.258647      1.620078      2.244802
  C      -8.198159      2.239773      3.021330
  C      -9.556400      2.201034      2.621714
  C     -10.528694      2.809461      3.391188
  C     -10.183983      3.467588      4.591880
  C      -8.865914      3.521339      5.004732
  C      -7.844164      2.927809      4.224604
  C      -0.612723      0.607111      4.648864
  C      -1.796273     -0.175687      5.133777
  C      -2.800830     -0.747353      4.411531
  C      -3.133037     -0.573082      3.017438
  N      -2.675757      0.512427      2.353936
  C      -3.071486      0.674989      1.077984
  N      -3.865537     -0.098099      0.348696
  C      -4.342875     -1.212907      0.985592
  C      -5.206718     -2.083486      0.278499
  C      -5.703966     -3.221220      0.883363
  C      -5.346090     -3.535208      2.211534
  C      -4.505457     -2.700056      2.924602
  C      -3.997930     -1.512950      2.341995
  C      -3.322758      0.455043      8.243597
  C      -4.490557      1.128032      8.905057
  C      -5.787026      1.174588      8.521286
  C      -6.438418      0.572943      7.356377
  N      -5.694067     -0.012862      6.413236
  C      -6.320300     -0.514318      5.325605
  N      -7.616807     -0.539484      5.076215
  C      -8.414120      0.040854      6.022768
  C      -9.814364      0.048065      5.812339
  C     -10.654025      0.627903      6.738975
  C     -10.125834      1.217503      7.909113
  C      -8.764202      1.223927      8.139315
  C      -7.870517      0.638831      7.206487
  H      -4.502368      5.529320      7.038710
  H      -4.571096      4.310077      8.332301
  H      -4.278976      2.541573      6.114670
  H      -6.562283      4.568108      6.004173
  H      -5.253573      1.175675      2.086404
  H      -9.800338      1.672677      1.698844
  H     -11.573848      2.771775      3.078030
  H     -10.965047      3.921501      5.204036
  H      -8.614046      4.003389      5.949900
  H       0.300318      0.015740      4.888596
  H      -0.640928      0.736508      3.554615
  H      -1.753558     -0.411551      6.199405
  H      -3.468819     -1.400915      4.974610
  H      -2.713331      1.588269      0.592201
  H      -5.463013     -1.819927     -0.748678
  H      -6.374326     -3.883956      0.333155
  H      -5.732804     -4.442863      2.677623
  H      -4.226524     -2.965348      3.944603
  H      -2.953973     -0.355800      8.904698
  H      -3.645282     -0.005453      7.303443
  H      -4.227859      1.698470      9.804004
  H      -6.446169      1.769308      9.154880
  H      -5.666409     -0.945390      4.560115
  H     -10.190178     -0.405455      4.894595
  H     -11.731960      0.639276      6.568299
  H     -10.800675      1.669691      8.637908
  H      -8.384810      1.675552      9.055417
  N      -2.332775      3.853732      4.330335
  H      -3.206838      4.384968      4.320559
  H      -2.409073      3.137069      3.600682
  H      -1.573579      4.485181      4.065985
93
Coordinates from ORCA-job orca E -6201.244264471387
  N      -2.765523      4.313711      7.188001
  Mo     -2.125248      2.599916      6.419577
  N      -2.250121      1.416447      8.005663
  C      -1.166765      1.428545      8.982454
  C      -0.574849      2.825704      9.003001
  N      -0.399829      3.308378      7.592235
  C      -0.461464      4.800026      7.542677
  C      -1.892087      5.265330      7.812433
  C       0.876630      2.794050      7.009951
  C       0.671500      2.573857      5.514061
  N      -0.577688      1.869484      5.355683
  H      -2.021653      6.289426      7.404672
  H      -2.080221      5.352051      8.906676
  H      -0.151510      5.098738      6.531851
  H       0.252329      5.226887      8.269708
  H       1.522247      1.999896      5.104357
  H       0.663061      3.550262      4.987611
  H       1.079940      1.823497      7.482002
  H       1.703273      3.485140      7.249748
  H      -1.517165      1.177324     10.000224
  H      -0.391293      0.676148      8.721878
  H      -1.284772      3.504111      9.491983
  H       0.389163      2.877815      9.536481
  C      -4.197791      4.459468      7.266803
  C      -4.767081      3.497905      6.252814
  C      -5.954634      3.690813      5.633251
  C      -6.474414      2.914883      4.524334
  N      -5.594685      2.247698      3.759247
  C      -6.077077      1.628092      2.661388
  N      -7.326547      1.590650      2.222022
  C      -8.249602      2.224855      3.005823
  C      -9.612739      2.201513      2.620585
  C     -10.569413      2.825274      3.396320
  C     -10.204392      3.485877      4.589895
  C      -8.881726      3.525257      4.988692
  C      -7.875398      2.914209      4.202519
  C      -0.603349      0.603414      4.664631
  C      -1.794980     -0.168245      5.148752
  C      -2.797767     -0.733241      4.417644
  C      -3.119205     -0.543806      3.023638
  N      -2.666852      0.555350      2.377417
  C      -3.044931      0.723869      1.097300
  N      -3.813887     -0.055420      0.347366
  C      -4.286458     -1.182584      0.967699
  C      -5.125322     -2.059764      0.238821
  C      -5.620365     -3.207237      0.826537
  C      -5.284469     -3.524825      2.159599
  C      -4.467479     -2.684011      2.893168
  C      -3.963570     -1.487320      2.327828
  C      -3.303394      0.430726      8.250688
  C      -4.464710      1.096193      8.928223
  C      -5.763877      1.158194      8.553470
  C      -6.431222      0.570845      7.391386
  N      -5.704226     -0.033557      6.445568
  C      -6.344807     -0.524595      5.363115
  N      -7.643461     -0.528122      5.121815
  C      -8.422401      0.072800      6.070363
  C      -9.823820      0.106779      5.867224
  C     -10.647141      0.712952      6.791105
  C     -10.101188      1.304400      7.952168
  C      -8.738686      1.283648      8.176260
  C      -7.861970      0.669059      7.246726
  H      -4.528294      5.487085      7.008813
  H      -4.582240      4.257303      8.295578
  H      -4.287886      2.498232      6.091756
  H      -6.554444      4.547592      5.956574
  H      -5.330160      1.127279      2.040716
  H      -9.872789      1.672022      1.702751
  H     -11.617943      2.798796      3.093556
  H     -10.973422      3.953124      5.207072
  H      -8.615027      4.009596      5.928714
  H       0.302691      0.004666      4.914826
  H      -0.624429      0.728398      3.570156
  H      -1.749282     -0.416498      6.211400
  H      -3.463854     -1.396774      4.970695
  H      -2.693305      1.646324      0.624097
  H      -5.365162     -1.792395     -0.791377
  H      -6.271487     -3.874934      0.259525
  H      -5.669524     -4.439485      2.613155
  H      -4.205164     -2.954229      3.916479
  H      -2.922893     -0.383992      8.900303
  H      -3.630347     -0.021784      7.307993
  H      -4.193895      1.657496      9.830490
  H      -6.411107      1.754683      9.197350
  H      -5.701458     -0.965580      4.594127
  H     -10.212877     -0.347026      4.955120
  H     -11.725275      0.745418      6.624812
  H     -10.762314      1.780015      8.678524
  H      -8.347171      1.738752      9.085440
  N      -2.370539      3.763921      4.303962
  H      -3.252471      4.281836      4.271321
  H      -2.436330      3.021746      3.596850
  H      -1.622923      4.397385      4.011284
93
Coordinates from ORCA-job orca E -6201.246223961148
  N      -2.766136      4.288456      7.132175
  Mo     -2.111406      2.566397      6.412900
  N      -2.238181      1.407930      8.019202
  C      -1.168007      1.442251      9.008566
  C      -0.583588      2.841811      9.014142
  N      -0.398686      3.306077      7.599329
  C      -0.475500      4.795847      7.523349
  C      -1.911988      5.249407      7.768969
  C       0.886566      2.793121      7.038159
  C       0.703933      2.554055      5.542356
  N      -0.542144      1.854034      5.380629
  H      -2.044061      6.272176      7.359331
  H      -2.119270      5.333260      8.859843
  H      -0.160511      5.077026      6.509013
  H       0.227878      5.243390      8.248166
  H       1.557919      1.968730      5.155356
  H       0.707681      3.522666      5.001693
  H       1.086861      1.828858      7.524196
  H       1.706192      3.490900      7.282960
  H      -1.531456      1.206890     10.025786
  H      -0.388010      0.687838      8.769264
  H      -1.298514      3.525268      9.488261
  H       0.376115      2.905760      9.554139
  C      -4.201043      4.421903      7.203801
  C      -4.771407      3.454550      6.197178
  C      -5.954864      3.653006      5.574739
  C      -6.500386      2.867286      4.484544
  N      -5.640196      2.176014      3.721400
  C      -6.142640      1.547598      2.638788
  N      -7.397440      1.518787      2.216612
  C      -8.302043      2.179245      3.000218
  C      -9.670360      2.167066      2.632524
  C     -10.608852      2.818102      3.407095
  C     -10.219965      3.497827      4.582510
  C      -8.892460      3.526476      4.964198
  C      -7.904655      2.885570      4.179745
  C      -0.590221      0.584876      4.700087
  C      -1.802864     -0.156571      5.181476
  C      -2.812682     -0.697620      4.437515
  C      -3.128145     -0.477138      3.049469
  N      -2.687750      0.645423      2.431811
  C      -3.053664      0.833522      1.152101
  N      -3.798073      0.056526      0.375786
  C      -4.261765     -1.090851      0.967708
  C      -5.077593     -1.965409      0.210579
  C      -5.566502     -3.129926      0.769071
  C      -5.245996     -3.466933      2.100866
  C      -4.450330     -2.629012      2.861023
  C      -3.954257     -1.416269      2.325627
  C      -3.284492      0.414067      8.268885
  C      -4.440074      1.080479      8.950775
  C      -5.741075      1.152659      8.580736
  C      -6.416688      0.562975      7.427076
  N      -5.700268     -0.073195      6.492664
  C      -6.346674     -0.572819      5.419735
  N      -7.645161     -0.562938      5.178799
  C      -8.412724      0.070377      6.114583
  C      -9.813841      0.122552      5.909684
  C     -10.628046      0.765927      6.815206
  C     -10.073259      1.379736      7.960561
  C      -8.711787      1.341053      8.187017
  C      -7.844783      0.686139      7.276781
  H      -4.530677      5.448302      6.942200
  H      -4.579956      4.220284      8.234522
  H      -4.290131      2.452150      6.061553
  H      -6.533310      4.528548      5.887252
  H      -5.411737      1.029384      2.014167
  H      -9.948825      1.623976      1.728231
  H     -11.661108      2.799985      3.117420
  H     -10.974669      3.988434      5.198945
  H      -8.608854      4.026259      5.891135
  H       0.301042     -0.030627      4.963292
  H      -0.601680      0.703652      3.605122
  H      -1.758980     -0.424736      6.238726
  H      -3.481656     -1.370157      4.975759
  H      -2.713289      1.770542      0.700205
  H      -5.305890     -1.681478     -0.817764
  H      -6.200092     -3.795591      0.180473
  H      -5.625977     -4.394075      2.532627
  H      -4.200210     -2.917134      3.882630
  H      -2.895574     -0.398414      8.916276
  H      -3.612434     -0.039537      7.326921
  H      -4.164600      1.643384      9.850474
  H      -6.378832      1.757717      9.225586
  H      -5.707236     -1.034545      4.659600
  H     -10.209366     -0.347469      5.008702
  H     -11.705048      0.812085      6.646031
  H     -10.726073      1.887398      8.672325
  H      -8.315024      1.815609      9.083783
  N      -2.398610      3.633320      4.259266
  H      -3.286945      4.137844      4.190332
  H      -2.451858      2.857314      3.584111
  H      -1.661464      4.262078      3.930526
93
Coordinates from ORCA-job orca E -6201.247962436049
  N      -2.765890      4.262070      7.076334
  Mo     -2.097528      2.533075      6.406152
  N      -2.225764      1.398966      8.031597
  C      -1.169058      1.455157      9.032857
  C      -0.592337      2.857150      9.024345
  N      -0.397763      3.303801      7.606105
  C      -0.489698      4.791019      7.503908
  C      -1.931660      5.232248      7.725597
  C       0.895968      2.792827      7.065712
  C       0.735400      2.535554      5.570352
  N      -0.507566      1.839992      5.405446
  H      -2.066443      6.253783      7.314429
  H      -2.158165      5.312533      8.812771
  H      -0.169598      5.054724      6.486442
  H       0.203147      5.259008      8.226021
  H       1.592028      1.939302      5.205736
  H       0.751392      3.496418      5.016317
  H       1.093285      1.834828      7.565169
  H       1.708417      3.497324      7.315454
  H      -1.545545      1.234773     10.048927
  H      -0.384674      0.699384      8.814309
  H      -1.312050      3.545141      9.484100
  H       0.363033      2.932683      9.570558
  C      -4.203554      4.382984      7.140867
  C      -4.775214      3.410324      6.141135
  C      -5.954263      3.613577      5.515372
  C      -6.523866      2.818307      4.443915
  N      -5.681576      2.104600      3.684271
  C      -6.201532      1.467246      2.616551
  N      -7.460819      1.445575      2.210064
  C      -8.348604      2.130663      2.991859
  C      -9.721331      2.127901      2.640033
  C     -10.643251      2.804419      3.411676
  C     -10.232880      3.503241      4.568702
  C      -8.901362      3.522869      4.934954
  C      -7.930535      2.853971      4.154189
  C      -0.579082      0.568629      4.734661
  C      -1.811013     -0.143361      5.214366
  C      -2.828796     -0.660162      4.459298
  C      -3.142452     -0.407461      3.079152
  N      -2.718508      0.739472      2.491281
  C      -3.076137      0.948575      1.213768
  N      -3.796031      0.174830      0.411904
  C      -4.246507     -0.993872      0.974202
  C      -5.039174     -1.865024      0.189558
  C      -5.517939     -3.047710      0.717618
  C      -5.208825     -3.406009      2.046216
  C      -4.434488     -2.571709      2.832242
  C      -3.950203     -1.341821      2.328005
  C      -3.264941      0.396837      8.285493
  C      -4.414429      1.063966      8.972369
  C      -5.717217      1.146835      8.607243
  C      -6.401162      0.555646      7.461812
  N      -5.696019     -0.111673      6.539143
  C      -6.348413     -0.619176      5.475770
  N      -7.646555     -0.595794      5.235112
  C      -8.402019      0.069213      6.157733
  C      -9.802548      0.139786      5.950795
  C     -10.606813      0.819672      6.837162
  C     -10.042563      1.455064      7.966196
  C      -8.682436      1.398316      8.195344
  C      -7.826073      0.703790      7.305341
  H      -4.532169      5.408284      6.876064
  H      -4.576617      4.181638      8.173548
  H      -4.291892      2.405896      6.031069
  H      -6.511665      4.506930      5.816192
  H      -5.485232      0.933007      1.989194
  H     -10.016332      1.571292      1.749416
  H     -11.698618      2.793284      3.133771
  H     -10.974451      4.015815      5.182875
  H      -8.602680      4.038101      5.848630
  H       0.297415     -0.063201      5.009375
  H      -0.582506      0.681887      3.639418
  H      -1.767319     -0.433012      6.265287
  H      -3.498417     -1.343145      4.983118
  H      -2.750699      1.900874      0.784100
  H      -5.259121     -1.562996     -0.835385
  H      -6.133935     -3.710757      0.108035
  H      -5.580657     -4.346525      2.455302
  H      -4.193500     -2.879352      3.850420
  H      -2.867558     -0.413896      8.929881
  H      -3.594091     -0.057077      7.344038
  H      -4.134082      1.627899      9.869740
  H      -6.345203      1.760128      9.253380
  H      -5.713142     -1.100997      4.724562
  H     -10.204968     -0.345865      5.061301
  H     -11.682445      0.879561      6.664868
  H     -10.686289      1.994237      8.662598
  H      -8.279917      1.891804      9.079103
  N      -2.423787      3.499428      4.218724
  H      -3.317772      3.988732      4.113018
  H      -2.464092      2.690881      3.577397
  H      -1.696458      4.120561      3.854139
93
Coordinates from ORCA-job orca E -6201.249055973980
  N      -2.763762      4.253838      7.052618
  Mo     -2.090527      2.523359      6.403224
  N      -2.218149      1.395187      8.035172
  C      -1.168092      1.458214      9.041303
  C      -0.594225      2.860531      9.030785
  N      -0.395917      3.304212      7.612880
  C      -0.496003      4.790283      7.502912
  C      -1.940231      5.223663      7.715615
  C       0.900952      2.795108      7.079661
  C       0.751067      2.532574      5.583999
  N      -0.491954      1.843834      5.415909
  H      -2.075662      6.248056      7.311820
  H      -2.176670      5.293751      8.801343
  H      -0.174160      5.048171      6.484430
  H       0.192627      5.266240      8.224055
  H       1.607307      1.929046      5.229871
  H       0.776806      3.490546      5.025166
  H       1.095627      1.838855      7.583575
  H       1.710358      3.501567      7.334444
  H      -1.551072      1.241826     10.056103
  H      -0.382725      0.701407      8.830125
  H      -1.314322      3.550253      9.487143
  H       0.360024      2.938860      9.578823
  C      -4.202323      4.367760      7.114974
  C      -4.778478      3.396961      6.116741
  C      -5.955507      3.604257      5.490679
  C      -6.542448      2.801154      4.434289
  N      -5.713418      2.062369      3.685674
  C      -6.245792      1.409029      2.634609
  N      -7.507552      1.391602      2.238038
  C      -8.383186      2.103062      3.010525
  C      -9.758800      2.104661      2.669355
  C     -10.668969      2.805349      3.432813
  C     -10.243449      3.525981      4.571150
  C      -8.909299      3.541746      4.926739
  C      -7.950580      2.847417      4.154505
  C      -0.582537      0.569263      4.754392
  C      -1.834013     -0.114067      5.227578
  C      -2.852077     -0.619568      4.461085
  C      -3.148472     -0.367690      3.078798
  N      -2.716898      0.778571      2.492317
  C      -3.053498      0.981061      1.208827
  N      -3.758692      0.203088      0.398585
  C      -4.220903     -0.962633      0.959881
  C      -5.001968     -1.836310      0.166679
  C      -5.494397     -3.014212      0.692891
  C      -5.210415     -3.364451      2.029098
  C      -4.446961     -2.527436      2.823214
  C      -3.948973     -1.303066      2.320167
  C      -3.252639      0.386791      8.287484
  C      -4.398547      1.050126      8.980059
  C      -5.702444      1.137335      8.617399
  C      -6.387281      0.543379      7.475688
  N      -5.685505     -0.146296      6.565346
  C      -6.337202     -0.662908      5.507306
  N      -7.633963     -0.631683      5.261386
  C      -8.385436      0.055876      6.170293
  C      -9.784569      0.137682      5.955492
  C     -10.586219      0.842239      6.824064
  C     -10.020751      1.493638      7.943630
  C      -8.662566      1.426464      8.180609
  C      -7.809365      0.705570      7.309118
  H      -4.528539      5.394254      6.852729
  H      -4.570723      4.162663      8.148655
  H      -4.296585      2.390907      6.018359
  H      -6.498520      4.508924      5.785186
  H      -5.540824      0.851735      2.014306
  H     -10.065477      1.531220      1.793432
  H     -11.726514      2.797185      3.163203
  H     -10.975722      4.058579      5.179354
  H      -8.600183      4.074525      5.826996
  H       0.279645     -0.076472      5.042389
  H      -0.575129      0.675706      3.658848
  H      -1.804457     -0.404464      6.278279
  H      -3.532354     -1.296807      4.978772
  H      -2.718129      1.929186      0.776830
  H      -5.202637     -1.539532     -0.863831
  H      -6.101541     -3.679197      0.076558
  H      -5.593166     -4.300709      2.437985
  H      -4.226296     -2.831200      3.847192
  H      -2.849250     -0.425664      8.926097
  H      -3.582595     -0.063105      7.344468
  H      -4.116488      1.613639      9.877168
  H      -6.326590      1.753388      9.264459
  H      -5.701310     -1.161458      4.767222
  H     -10.187758     -0.359814      5.072874
  H     -11.660188      0.910023      6.644702
  H     -10.661575      2.053832      8.625946
  H      -8.259842      1.933947      9.056392
  N      -2.442673      3.442614      4.200880
  H      -3.338111      3.926168      4.078080
  H      -2.480149      2.618874      3.575461
  H      -1.719921      4.057268      3.815745
93
Coordinates from ORCA-job orca E -6201.250011913501
  N      -2.768971      4.242124      7.031863
  Mo     -2.086716      2.513841      6.399596
  N      -2.212353      1.384023      8.030221
  C      -1.169359      1.448228      9.043385
  C      -0.598645      2.851771      9.038528
  N      -0.399303      3.302122      7.623016
  C      -0.512390      4.787386      7.514691
  C      -1.960281      5.205870      7.722454
  C       0.902192      2.803978      7.093282
  C       0.763761      2.545844      5.595011
  N      -0.477210      1.859918      5.418902
  H      -2.100677      6.237046      7.338929
  H      -2.208345      5.250120      8.806851
  H      -0.192729      5.047108      6.495913
  H       0.171021      5.269428      8.236725
  H       1.621040      1.938237      5.249910
  H       0.797247      3.503884      5.036793
  H       1.098717      1.845978      7.593227
  H       1.706142      3.513403      7.357131
  H      -1.559952      1.231133     10.055210
  H      -0.382889      0.691836      8.835970
  H      -1.319461      3.538882      9.497506
  H       0.354873      2.929509      9.587895
  C      -4.210384      4.345126      7.093066
  C      -4.785638      3.381257      6.088023
  C      -5.958405      3.598258      5.460267
  C      -6.564493      2.790351      4.418037
  N      -5.751918      2.022171      3.683026
  C      -6.299091      1.354189      2.649902
  N      -7.563878      1.344348      2.262989
  C      -8.423583      2.087881      3.023319
  C      -9.801753      2.100376      2.692029
  C     -10.696424      2.833497      3.442850
  C     -10.252370      3.578521      4.558459
  C      -8.915815      3.584085      4.904398
  C      -7.972859      2.855259      4.145261
  C      -0.574967      0.587252      4.754112
  C      -1.825611     -0.102019      5.224691
  C      -2.838545     -0.615431      4.452087
  C      -3.146131     -0.350812      3.075677
  N      -2.759743      0.821610      2.507799
  C      -3.108571      1.034431      1.229848
  N      -3.785060      0.244722      0.406958
  C      -4.202035     -0.947675      0.948564
  C      -4.951919     -1.834907      0.140546
  C      -5.404194     -3.037361      0.646517
  C      -5.109440     -3.398556      1.977223
  C      -4.374675     -2.548991      2.785243
  C      -3.917254     -1.300656      2.302887
  C      -3.245568      0.371033      8.276569
  C      -4.383193      1.029954      8.984299
  C      -5.689173      1.129621      8.629562
  C      -6.387109      0.538404      7.495578
  N      -5.703240     -0.185195      6.596870
  C      -6.368058     -0.708246      5.551412
  N      -7.665313     -0.658426      5.309763
  C      -8.398202      0.064615      6.205641
  C      -9.796643      0.169150      5.993804
  C     -10.580833      0.912880      6.845013
  C      -9.997831      1.583344      7.944249
  C      -8.640572      1.493291      8.179371
  C      -7.805544      0.730351      7.326625
  H      -4.539564      5.373491      6.843602
  H      -4.572012      4.124757      8.125680
  H      -4.302997      2.375196      5.999347
  H      -6.485209      4.514578      5.748469
  H      -5.607245      0.770785      2.038962
  H     -10.122867      1.508945      1.833402
  H     -11.755791      2.833403      3.180468
  H     -10.972478      4.138100      5.156809
  H      -8.593309      4.136464      5.788043
  H       0.285085     -0.060510      5.044822
  H      -0.564811      0.696069      3.659119
  H      -1.784687     -0.413300      6.268645
  H      -3.499442     -1.317411      4.961598
  H      -2.810586      2.001439      0.812758
  H      -5.162629     -1.527753     -0.884940
  H      -5.987732     -3.712857      0.018957
  H      -5.461079     -4.353244      2.371116
  H      -4.145390     -2.864043      3.803682
  H      -2.837160     -0.449967      8.900757
  H      -3.582151     -0.065036      7.329846
  H      -4.092953      1.586755      9.882949
  H      -6.302847      1.750044      9.282255
  H      -5.743598     -1.231543      4.818828
  H     -10.212723     -0.342808      5.125508
  H     -11.653711      0.998061      6.666799
  H     -10.623782      2.176518      8.612273
  H      -8.225561      2.017515      9.039371
  N      -2.464755      3.386943      4.191801
  H      -3.360698      3.865908      4.052145
  H      -2.500219      2.548591      3.581553
  H      -1.745177      3.993252      3.787017
93
Coordinates from ORCA-job orca E -6201.250889602626
  N      -2.780749      4.231487      7.027216
  Mo     -2.083707      2.509076      6.400104
  N      -2.201213      1.372071      8.026404
  C      -1.161600      1.437352      9.042373
  C      -0.598806      2.843683      9.045354
  N      -0.403991      3.305121      7.632900
  C      -0.533477      4.789718      7.532656
  C      -1.985756      5.189779      7.741481
  C       0.902376      2.822759      7.101026
  C       0.770573      2.572075      5.600348
  N      -0.466725      1.883369      5.417012
  H      -2.134549      6.227177      7.378625
  H      -2.240040      5.208768      8.825145
  H      -0.217933      5.057106      6.514493
  H       0.145172      5.276209      8.256207
  H       1.631050      1.967539      5.257550
  H       0.804310      3.532296      5.045883
  H       1.106057      1.863124      7.595021
  H       1.699315      3.537371      7.372271
  H      -1.554505      1.214406     10.052125
  H      -0.371727      0.684912      8.833734
  H      -1.321797      3.524092      9.510787
  H       0.355405      2.923067      9.593336
  C      -4.223637      4.319319      7.089670
  C      -4.794864      3.359611      6.078926
  C      -5.965199      3.578719      5.448508
  C      -6.579248      2.765399      4.414871
  N      -5.775344      1.972767      3.697226
  C      -6.328061      1.293141      2.674881
  N      -7.591423      1.294049      2.283966
  C      -8.442911      2.064775      3.026412
  C      -9.819787      2.089788      2.690261
  C     -10.706799      2.848658      3.424353
  C     -10.255887      3.608592      4.527308
  C      -8.920560      3.602463      4.877600
  C      -7.985443      2.846228      4.136150
  C      -0.563527      0.611952      4.748229
  C      -1.814626     -0.080516      5.214706
  C      -2.822513     -0.601820      4.437466
  C      -3.131239     -0.340310      3.062023
  N      -2.746164      0.831064      2.490144
  C      -3.098677      1.042819      1.213367
  N      -3.779354      0.253206      0.394226
  C      -4.195709     -0.938497      0.938991
  C      -4.949135     -1.825610      0.134165
  C      -5.402470     -3.026679      0.642730
  C      -5.105024     -3.386189      1.973238
  C      -4.365830     -2.536964      2.777924
  C      -3.906090     -1.290775      2.292601
  C      -3.231605      0.354025      8.266955
  C      -4.363812      1.005840      8.988345
  C      -5.671495      1.112697      8.640095
  C      -6.376675      0.526276      7.509032
  N      -5.705098     -0.221641      6.619973
  C      -6.378469     -0.746624      5.581357
  N      -7.675116     -0.680513      5.339972
  C      -8.395204      0.067933      6.225100
  C      -9.791809      0.193256      6.011201
  C     -10.562902      0.966352      6.847975
  C      -9.967865      1.647175      7.934485
  C      -8.612438      1.536725      8.171947
  C      -7.791167      0.742395      7.334745
  H      -4.560929      5.347706      6.851461
  H      -4.579741      4.084186      8.120892
  H      -4.308767      2.355222      5.992970
  H      -6.485195      4.500595      5.731758
  H      -5.644197      0.683556      2.080713
  H     -10.146235      1.486744      1.841738
  H     -11.765250      2.858073      3.158395
  H     -10.970032      4.189604      5.112268
  H      -8.593662      4.167756      5.751481
  H       0.295833     -0.035695      5.041393
  H      -0.549724      0.722524      3.653393
  H      -1.771406     -0.399646      6.255879
  H      -3.477829     -1.309961      4.945809
  H      -2.795540      2.006566      0.791429
  H      -5.162107     -1.519143     -0.891127
  H      -5.988787     -3.702084      0.017610
  H      -5.458097     -4.339255      2.369874
  H      -4.135055     -2.852296      3.795905
  H      -2.818072     -0.474654      8.877481
  H      -3.573757     -0.069870      7.316827
  H      -4.068217      1.555662      9.889566
  H      -6.279361      1.732084      9.299214
  H      -5.762578     -1.289226      4.855681
  H     -10.216674     -0.326561      5.151825
  H     -11.634036      1.067432      6.667501
  H     -10.582701      2.264917      8.590511
  H      -8.188343      2.071163      9.021242
  N      -2.486293      3.363921      4.191917
  H      -3.381716      3.843165      4.048543
  H      -2.525652      2.519199      3.587278
  H      -1.768789      3.964383      3.774586
93
Coordinates from ORCA-job orca E -6201.251877034941
  N      -2.795668      4.221678      7.023807
  Mo     -2.082519      2.505857      6.400976
  N      -2.186789      1.358408      8.021417
  C      -1.149413      1.424657      9.038806
  C      -0.596322      2.834081      9.051770
  N      -0.409629      3.309588      7.643252
  C      -0.558620      4.793111      7.554129
  C      -2.015497      5.171506      7.765937
  C       0.901108      2.846088      7.105990
  C       0.774511      2.606852      5.602288
  N      -0.459309      1.916507      5.410918
  H      -2.174413      6.215954      7.428874
  H      -2.275520      5.159571      8.848246
  H      -0.249301      5.070507      6.536657
  H       0.115288      5.284009      8.279029
  H       1.637636      2.005832      5.259829
  H       0.808639      3.570433      5.053850
  H       1.113506      1.883916      7.591309
  H       1.690519      3.565768      7.385665
  H      -1.542939      1.193060     10.046416
  H      -0.355435      0.677814      8.826421
  H      -1.320867      3.505943      9.526940
  H       0.359740      2.914941      9.596270
  C      -4.239958      4.293114      7.090465
  C      -4.810638      3.338698      6.075563
  C      -5.978550      3.562928      5.443486
  C      -6.606309      2.747159      4.419407
  N      -5.818387      1.923735      3.720336
  C      -6.382795      1.236486      2.709636
  N      -7.644223      1.258154      2.314412
  C      -8.480215      2.062892      3.037612
  C      -9.854926      2.112103      2.695476
  C     -10.727227      2.904667      3.411030
  C     -10.262916      3.676431      4.500290
  C      -8.929457      3.647518      4.855795
  C      -8.009137      2.855376      4.133996
  C      -0.556630      0.646618      4.737759
  C      -1.803450     -0.052622      5.208132
  C      -2.806308     -0.589794      4.430918
  C      -3.125692     -0.333196      3.058933
  N      -2.758900      0.842874      2.483282
  C      -3.123672      1.051870      1.210056
  N      -3.802685      0.255894      0.396202
  C      -4.199772     -0.941994      0.943066
  C      -4.949459     -1.836422      0.143050
  C      -5.386375     -3.042930      0.653378
  C      -5.075275     -3.400098      1.981172
  C      -4.338496     -2.543791      2.780929
  C      -3.894948     -1.292806      2.293792
  C      -3.209202      0.329921      8.255593
  C      -4.338628      0.965020      8.994351
  C      -5.648040      1.074490      8.651794
  C      -6.354544      0.493851      7.520100
  N      -5.692601     -0.284270      6.648741
  C      -6.368641     -0.810259      5.613081
  N      -7.661726     -0.720194      5.359923
  C      -8.371187      0.061222      6.224827
  C      -9.762470      0.216419      5.995336
  C     -10.521628      1.026716      6.807289
  C      -9.919225      1.717240      7.883643
  C      -8.569269      1.577675      8.136562
  C      -7.761160      0.742909      7.326603
  H      -4.586562      5.321481      6.866171
  H      -4.587385      4.041471      8.120512
  H      -4.321291      2.335698      5.991153
  H      -6.487359      4.492281      5.722464
  H      -5.713067      0.596053      2.132856
  H     -10.191775      1.499900      1.857694
  H     -11.784198      2.932588      3.140741
  H     -10.965634      4.285537      5.070245
  H      -8.593494      4.223801      5.718919
  H       0.305430      0.001655      5.028655
  H      -0.545767      0.759094      3.643025
  H      -1.749184     -0.381930      6.245280
  H      -3.446472     -1.310673      4.940777
  H      -2.831464      2.017888      0.784825
  H      -5.173620     -1.530784     -0.880093
  H      -5.970045     -3.723961      0.031959
  H      -5.416085     -4.356638      2.380105
  H      -4.098155     -2.858668      3.796786
  H      -2.784676     -0.505941      8.848447
  H      -3.556332     -0.080776      7.301495
  H      -4.040417      1.506464      9.899685
  H      -6.253495      1.689178      9.317414
  H      -5.758695     -1.378531      4.902201
  H     -10.192265     -0.310767      5.142924
  H     -11.588029      1.150748      6.613904
  H     -10.523439      2.366493      8.518702
  H      -8.139176      2.123366      8.975613
  N      -2.521421      3.340034      4.194542
  H      -3.418161      3.816183      4.047789
  H      -2.561056      2.489630      3.593963
  H      -1.809093      3.937151      3.763630
93
Coordinates from ORCA-job orca E -6201.252881282369
  N      -2.810437      4.212013      7.023135
  Mo     -2.080863      2.502849      6.403193
  N      -2.171604      1.345133      8.017397
  C      -1.135828      1.412325      9.035730
  C      -0.592485      2.824777      9.058359
  N      -0.414684      3.314239      7.653719
  C      -0.582922      4.796439      7.576375
  C      -2.044254      5.153461      7.791000
  C       0.900104      2.869986      7.110255
  C       0.777163      2.643829      5.603452
  N      -0.453018      1.950867      5.404122
  H      -2.213436      6.203725      7.478175
  H      -2.309011      5.112518      8.871392
  H      -0.279764      5.084432      6.559890
  H       0.086116      5.291283      8.303008
  H       1.643199      2.048000      5.259182
  H       0.809861      3.611624      5.062528
  H       1.121854      1.905131      7.585997
  H       1.682146      3.594513      7.398010
  H      -1.529177      1.171837     10.041355
  H      -0.337626      0.671337      8.819101
  H      -1.318620      3.487735      9.543403
  H       0.365563      2.907358      9.599104
  C      -4.255780      4.267857      7.093804
  C      -4.826101      3.317172      6.076268
  C      -5.991324      3.545579      5.441697
  C      -6.629580      2.725966      4.426554
  N      -5.855926      1.870445      3.751446
  C      -6.428563      1.173317      2.752107
  N      -7.685934      1.215631      2.346784
  C      -8.508148      2.055751      3.044810
  C      -9.878737      2.128353      2.690607
  C     -10.738273      2.955331      3.382085
  C     -10.264478      3.740361      4.457860
  C      -8.934814      3.689413      4.824533
  C      -8.027346      2.860694      4.128192
  C      -0.549813      0.683659      4.724006
  C      -1.789837     -0.025598      5.199891
  C      -2.789207     -0.578434      4.424915
  C      -3.122819     -0.325220      3.057511
  N      -2.771118      0.854240      2.478170
  C      -3.150676      1.062960      1.209728
  N      -3.833803      0.264248      0.402487
  C      -4.214879     -0.938417      0.951258
  C      -4.966401     -1.836419      0.157120
  C      -5.388877     -3.047695      0.668589
  C      -5.060460     -3.405773      1.991773
  C      -4.320874     -2.546008      2.785613
  C      -3.891739     -1.290567      2.297592
  C      -3.186511      0.307127      8.245189
  C      -4.313233      0.926532      8.999858
  C      -5.624476      1.036748      8.663021
  C      -6.332077      0.459569      7.531576
  N      -5.680849     -0.349876      6.679678
  C      -6.360199     -0.878615      5.648129
  N      -7.649395     -0.765852      5.383603
  C      -8.347143      0.049145      6.226819
  C      -9.732396      0.233283      5.981781
  C     -10.477795      1.081575      6.767257
  C      -9.866817      1.783251      7.831615
  C      -8.522980      1.615565      8.099869
  C      -7.729970      0.740034      7.318736
  H      -4.611749      5.295628      6.881763
  H      -4.595174      4.001643      8.122720
  H      -4.333335      2.315873      5.993159
  H      -6.490225      4.482082      5.714462
  H      -5.771593      0.500811      2.197795
  H     -10.222970      1.505799      1.863535
  H     -11.792241      3.001273      3.102761
  H     -10.957230      4.378251      5.008197
  H      -8.592832      4.277893      5.676946
  H       0.316779      0.042041      5.008420
  H      -0.544980      0.800897      3.629689
  H      -1.721459     -0.365709      6.232455
  H      -3.412967     -1.311939      4.937216
  H      -2.866195      2.030203      0.781353
  H      -5.204046     -1.529469     -0.862599
  H      -5.974059     -3.731499      0.051665
  H      -5.390165     -4.365551      2.392276
  H      -4.067945     -2.862988      3.797695
  H      -2.752014     -0.535285      8.821247
  H      -3.538536     -0.091139      7.287732
  H      -4.012527      1.460874      9.908548
  H      -6.228308      1.646784      9.334390
  H      -5.757343     -1.472962      4.952680
  H     -10.168046     -0.302574      5.137748
  H     -11.538938      1.227811      6.561062
  H     -10.458942      2.464363      8.444292
  H      -8.085466      2.173493      8.927005
  N      -2.556835      3.319232      4.200396
  H      -3.455213      3.792194      4.052469
  H      -2.596741      2.464716      3.602220
  H      -1.850031      3.914219      3.757480
93
Coordinates from ORCA-job orca E -6201.253909765386
  N      -2.825101      4.204068      7.024786
  Mo     -2.080078      2.501665      6.406130
  N      -2.156977      1.332333      8.012845
  C      -1.122213      1.398942      9.031657
  C      -0.588037      2.814050      9.065029
  N      -0.419867      3.318617      7.664765
  C      -0.606757      4.799249      7.600803
  C      -2.072081      5.135246      7.818805
  C       0.898225      2.893933      7.113900
  C       0.777667      2.683077      5.603805
  N      -0.449163      1.988043      5.396420
  H      -2.251292      6.190976      7.531325
  H      -2.340801      5.064508      8.896635
  H      -0.310118      5.098747      6.585604
  H       0.057814      5.296910      8.329521
  H       1.646209      2.092692      5.256375
  H       0.808744      3.655718      5.071679
  H       1.129336      1.925871      7.578583
  H       1.673339      3.622480      7.410169
  H      -1.514881      1.148693     10.035195
  H      -0.320222      0.663770      8.809625
  H      -1.315165      3.467812      9.560858
  H       0.372298      2.897560      9.601568
  C      -4.271294      4.245441      7.099500
  C      -4.842161      3.299128      6.079370
  C      -6.004719      3.532739      5.442744
  C      -6.654766      2.709940      4.437110
  N      -5.897693      1.821174      3.787709
  C      -6.480121      1.113797      2.801289
  N      -7.733051      1.177100      2.385972
  C      -8.539098      2.053785      3.057077
  C      -9.904987      2.150516      2.690716
  C     -10.749412      3.013468      3.356196
  C     -10.264254      3.812630      4.416558
  C      -8.938884      3.738959      4.794446
  C      -8.046672      2.872137      4.125487
  C      -0.545088      0.723841      4.708469
  C      -1.776716      0.002253      5.190360
  C      -2.771858     -0.568437      4.418474
  C      -3.121892     -0.319925      3.056058
  N      -2.790170      0.864004      2.472903
  C      -3.186980      1.071112      1.209977
  N      -3.872440      0.267387      0.410187
  C      -4.232573     -0.941182      0.960976
  C      -4.983949     -1.845138      0.173592
  C      -5.387276     -3.062458      0.686380
  C      -5.038735     -3.420329      2.004271
  C      -4.298288     -2.554734      2.791354
  C      -3.888270     -1.293493      2.302257
  C      -3.164330      0.284803      8.233279
  C      -4.288528      0.887192      9.003962
  C      -5.601474      0.997113      8.672303
  C      -6.308797      0.422595      7.540603
  N      -5.668415     -0.418574      6.710255
  C      -6.350008     -0.950465      5.682343
  N      -7.634281     -0.814597      5.404058
  C      -8.319983      0.034522      6.223259
  C      -9.697826      0.247986      5.959927
  C     -10.428708      1.134271      6.716623
  C      -9.809778      1.846531      7.769418
  C      -8.473488      1.650331      8.055739
  C      -7.696482      0.734326      7.305771
  H      -4.635921      5.272725      6.900163
  H      -4.602548      3.964709      8.127062
  H      -4.346698      2.299094      5.997074
  H      -6.492770      4.476636      5.709443
  H      -5.837796      0.408843      2.270857
  H     -10.258068      1.516972      1.875806
  H     -11.799939      3.077995      3.067757
  H     -10.945136      4.480547      4.945713
  H      -8.589368      4.340434      5.634608
  H       0.326908      0.086439      4.985411
  H      -0.547203      0.846522      3.614733
  H      -1.692505     -0.348312      6.218044
  H      -3.376611     -1.315741      4.933763
  H      -2.914686      2.040688      0.778452
  H      -5.237407     -1.537658     -0.842179
  H      -5.972487     -3.750883      0.074629
  H      -5.353608     -4.384377      2.406499
  H      -4.030538     -2.873027      3.799129
  H      -2.719815     -0.564219      8.791662
  H      -3.521267     -0.100245      7.272389
  H      -3.985805      1.414511      9.916061
  H      -6.204558      1.602372      9.348706
  H      -5.754374     -1.571514      5.004162
  H     -10.138821     -0.296356      5.124084
  H     -11.483482      1.302942      6.495520
  H     -10.389125      2.559269      8.357876
  H      -8.028786      2.219777      8.871183
  N      -2.593543      3.302375      4.208670
  H      -3.493818      3.771882      4.060417
  H      -2.633480      2.444615      3.611840
  H      -1.892579      3.895987      3.754601
93
Coordinates from ORCA-job orca E -6201.254957881903
  N      -2.839000      4.196258      7.025556
  Mo     -2.078763      2.500576      6.408208
  N      -2.142422      1.319767      8.007283
  C      -1.108875      1.385595      9.026780
  C      -0.583689      2.803157      9.071162
  N      -0.424786      3.322779      7.675594
  C      -0.630059      4.801486      7.625118
  C      -2.099263      5.116553      7.845420
  C       0.896522      2.917803      7.117794
  C       0.778321      2.722557      5.604509
  N      -0.445170      2.025533      5.388947
  H      -2.288437      6.176951      7.582946
  H      -2.372029      5.016440      8.919858
  H      -0.339411      5.112551      6.611553
  H       0.029614      5.301716      8.356421
  H       1.649398      2.137876      5.253735
  H       0.807557      3.700083      5.081459
  H       1.137028      1.946695      7.571259
  H       1.664646      3.650166      7.422753
  H      -1.501053      1.125576     10.028046
  H      -0.303151      0.656201      8.799550
  H      -1.311806      3.447619      9.577510
  H       0.378734      2.887525      9.603818
  C      -4.285890      4.223438      7.104005
  C      -4.857736      3.281316      6.081731
  C      -6.017590      3.520266      5.443104
  C      -6.679373      2.694479      4.447027
  N      -5.939577      1.773700      3.823821
  C      -6.531908      1.056638      2.850334
  N      -7.779740      1.140601      2.424343
  C      -8.568772      2.052555      3.067817
  C      -9.929287      2.172723      2.688684
  C     -10.757877      3.070263      3.327639
  C     -10.261201      3.882762      4.372585
  C      -8.940731      3.787019      4.762254
  C      -8.064610      2.883506      4.121338
  C      -0.540291      0.764251      4.693477
  C      -1.762740      0.030280      5.182571
  C      -2.754303     -0.557620      4.414610
  C      -3.121991     -0.313210      3.057933
  N      -2.809533      0.874773      2.471189
  C      -3.224433      1.080852      1.214420
  N      -3.913972      0.273116      0.422695
  C      -4.253957     -0.940860      0.975259
  C      -5.006920     -1.849693      0.195168
  C      -5.391625     -3.072676      0.709032
  C      -5.021778     -3.430989      2.020795
  C      -4.278802     -2.560573      2.800566
  C      -3.887313     -1.293973      2.310646
  C      -3.142531      0.263162      8.220074
  C      -4.264022      0.848924      9.006138
  C      -5.578732      0.957913      8.679825
  C      -6.285605      0.385056      7.548296
  N      -5.656562     -0.486730      6.739891
  C      -6.340549     -1.022467      5.716073
  N      -7.619608     -0.865215      5.424418
  C      -8.292617      0.016797      6.219148
  C      -9.662398      0.257984      5.937442
  C     -10.377710      1.181041      6.664557
  C      -9.750348      1.904160      7.705008
  C      -8.422257      1.681040      8.009476
  C      -7.662414      0.726052      7.291471
  H      -4.658767      5.250091      6.917019
  H      -4.609106      3.928741      8.130073
  H      -4.359507      2.282691      6.000299
  H      -6.494621      4.471459      5.703581
  H      -5.904957      0.320801      2.344136
  H     -10.291314      1.528788      1.885941
  H     -11.804444      3.152861      3.029627
  H     -10.929525      4.579640      4.879985
  H      -8.583452      4.401018      5.589958
  H       0.337505      0.131460      4.962066
  H      -0.550538      0.892266      3.600370
  H      -1.661573     -0.330505      6.204978
  H      -3.339598     -1.318271      4.933001
  H      -2.963406      2.052358      0.779718
  H      -5.277004     -1.541224     -0.816030
  H      -5.978178     -3.764907      0.102884
  H      -5.322191     -4.399023      2.424539
  H      -3.995357     -2.880634      3.803398
  H      -2.688488     -0.592129      8.760884
  H      -3.504366     -0.108824      7.255988
  H      -3.959253      1.369659      9.921304
  H      -6.181224      1.558487      9.360986
  H      -5.752686     -1.669221      5.055313
  H     -10.109076     -0.295128      5.110370
  H     -11.425607      1.370827      6.428523
  H     -10.315997      2.647366      8.268583
  H      -7.969764      2.261979      8.812505
  N      -2.628991      3.284494      4.216617
  H      -3.531266      3.750110      4.067479
  H      -2.668346      2.423483      3.621074
  H      -1.933903      3.876871      3.751881
93
Coordinates from ORCA-job orca E -6201.255904793436
  N      -2.858788      4.185282      7.021606
  Mo     -2.079533      2.497328      6.408021
  N      -2.125486      1.305611      7.999439
  C      -1.094132      1.374050      9.020079
  C      -0.582079      2.795649      9.075023
  N      -0.433834      3.329446      7.684087
  C      -0.661385      4.805083      7.645384
  C      -2.134840      5.095542      7.867444
  C       0.891397      2.946578      7.120779
  C       0.777092      2.764662      5.604564
  N      -0.441890      2.064174      5.381392
  H      -2.336600      6.159385      7.630098
  H      -2.411325      4.965379      8.937637
  H      -0.378201      5.126953      6.633010
  H      -0.007796      5.310423      8.378435
  H       1.651558      2.185780      5.252649
  H       0.803945      3.745957      5.088790
  H       1.142681      1.973660      7.564303
  H       1.650779      3.684332      7.434269
  H      -1.485529      1.103564     10.018845
  H      -0.282679      0.652724      8.788279
  H      -1.312487      3.429127      9.591628
  H       0.382194      2.883647      9.603590
  C      -4.306325      4.194269      7.104858
  C      -4.878373      3.256767      6.079855
  C      -6.035202      3.502139      5.439057
  C      -6.709771      2.679494      4.448195
  N      -5.988970      1.733015      3.843614
  C      -6.591286      1.017516      2.875153
  N      -7.832165      1.127949      2.436890
  C      -8.602707      2.068459      3.060394
  C      -9.956862      2.215723      2.668723
  C     -10.769025      3.139938      3.290008
  C     -10.260845      3.954558      4.327803
  C      -8.946173      3.833081      4.729117
  C      -8.087149      2.899540      4.108662
  C      -0.534547      0.803868      4.682799
  C      -1.745982      0.059248      5.184310
  C      -2.734334     -0.546351      4.422092
  C      -3.119754     -0.306148      3.071869
  N      -2.825547      0.884861      2.480279
  C      -3.258002      1.088242      1.229639
  N      -3.951837      0.275723      0.447112
  C      -4.272526     -0.942491      1.002929
  C      -5.027099     -1.857128      0.231525
  C      -5.393946     -3.084499      0.748227
  C      -5.003345     -3.441010      2.054221
  C      -4.257653     -2.564806      2.825196
  C      -3.884114     -1.294408      2.332502
  C      -3.112118      0.233513      8.201138
  C      -4.231921      0.794083      9.006194
  C      -5.549078      0.901989      8.687630
  C      -6.256972      0.339962      7.553197
  N      -5.642621     -0.554883      6.757417
  C      -6.331362     -1.082869      5.733608
  N      -7.605243     -0.901292      5.432943
  C      -8.262553      0.004589      6.213736
  C      -9.623379      0.278062      5.917536
  C     -10.319137      1.231621      6.623826
  C      -9.680323      1.954241      7.657676
  C      -8.361176      1.700035      7.976108
  C      -7.622321      0.712894      7.280395
  H      -4.689866      5.219377      6.932020
  H      -4.619197      3.883470      8.129141
  H      -4.375359      2.260321      5.999020
  H      -6.499537      4.460474      5.695588
  H      -5.982065      0.255094      2.388187
  H     -10.327680      1.570245      1.871398
  H     -11.810831      3.243538      2.982490
  H     -10.915831      4.674710      4.819690
  H      -8.581405      4.450495      5.550758
  H       0.350281      0.178288      4.944488
  H      -0.554869      0.932418      3.589827
  H      -1.625167     -0.310521      6.201003
  H      -3.299360     -1.319870      4.944009
  H      -3.006310      2.060293      0.789867
  H      -5.313249     -1.549430     -0.775395
  H      -5.981791     -3.781275      0.148764
  H      -5.289776     -4.411965      2.460865
  H      -3.958540     -2.884840      3.823492
  H      -2.643774     -0.627552      8.719916
  H      -3.477995     -0.123243      7.232657
  H      -3.925803      1.302926      9.927434
  H      -6.150513      1.491605      9.379040
  H      -5.752999     -1.746300      5.081203
  H     -10.078249     -0.275188      5.095059
  H     -11.359461      1.445796      6.376050
  H     -10.229004      2.722702      8.203666
  H      -7.898313      2.284134      8.770802
  N      -2.667375      3.254023      4.220618
  H      -3.570804      3.716366      4.067369
  H      -2.707356      2.386575      3.630660
  H      -1.977519      3.841219      3.741721
93
Coordinates from ORCA-job orca E -6201.256819733550
  N      -2.875143      4.185793      7.025790
  Mo     -2.083138      2.504766      6.402015
  N      -2.114904      1.298709      7.984812
  C      -1.084333      1.365683      9.005068
  C      -0.580188      2.788709      9.072520
  N      -0.440397      3.338784      7.688572
  C      -0.683330      4.811862      7.665910
  C      -2.159786      5.082673      7.893583
  C       0.887291      2.973212      7.119061
  C       0.774188      2.800915      5.601598
  N      -0.444016      2.100192      5.370852
  H      -2.372119      6.149929      7.682398
  H      -2.435734      4.922528      8.959492
  H      -0.406728      5.147046      6.656103
  H      -0.033493      5.317726      8.401512
  H       1.650385      2.227375      5.246356
  H       0.799159      3.785388      5.092407
  H       1.149061      1.999332      7.554223
  H       1.640058      3.715110      7.437825
  H      -1.474540      1.085420     10.001482
  H      -0.269426      0.649541      8.768767
  H      -1.310909      3.411916      9.600880
  H       0.385930      2.875615      9.597676
  C      -4.322015      4.174935      7.126886
  C      -4.900820      3.249173      6.096325
  C      -6.056636      3.505799      5.457206
  C      -6.738418      2.700674      4.456902
  N      -6.031594      1.745597      3.849976
  C      -6.640413      1.051689      2.869233
  N      -7.870646      1.199867      2.413778
  C      -8.626728      2.151503      3.036385
  C      -9.973943      2.328496      2.634822
  C     -10.777160      3.252665      3.268224
  C     -10.265276      4.037539      4.326830
  C      -8.956307      3.887513      4.736878
  C      -8.107473      2.951420      4.106779
  C      -0.534299      0.838335      4.669300
  C      -1.735026      0.083662      5.182176
  C      -2.716750     -0.544500      4.424368
  C      -3.116156     -0.322812      3.078009
  N      -2.832351      0.860512      2.464663
  C      -3.280153      1.048034      1.217318
  N      -3.983582      0.225009      0.455417
  C      -4.290005     -0.989152      1.029160
  C      -5.049007     -1.916535      0.278336
  C      -5.401101     -3.140937      0.813661
  C      -4.989975     -3.480487      2.117506
  C      -4.238727     -2.590994      2.868290
  C      -3.880888     -1.324500      2.356963
  C      -3.092267      0.217014      8.181952
  C      -4.210645      0.760728      9.000758
  C      -5.528786      0.864364      8.685542
  C      -6.227890      0.306187      7.545920
  N      -5.607718     -0.592374      6.758551
  C      -6.290350     -1.124322      5.732515
  N      -7.563636     -0.947563      5.426315
  C      -8.226153     -0.037171      6.197672
  C      -9.582300      0.241155      5.885893
  C     -10.277334      1.209747      6.572456
  C      -9.641258      1.943943      7.599764
  C      -8.326221      1.685892      7.932122
  C      -7.589189      0.682574      7.258130
  H      -4.718525      5.199221      6.977841
  H      -4.619167      3.840862      8.148429
  H      -4.391123      2.259897      6.001367
  H      -6.512011      4.465987      5.721795
  H      -6.048575      0.272329      2.390092
  H     -10.347966      1.703504      1.823097
  H     -11.814262      3.379195      2.954285
  H     -10.912554      4.759108      4.826517
  H      -8.589184      4.483178      5.573074
  H       0.359535      0.223169      4.921967
  H      -0.566429      0.964787      3.575728
  H      -1.596386     -0.295133      6.192367
  H      -3.262930     -1.327111      4.952663
  H      -3.034696      2.015295      0.761840
  H      -5.350675     -1.621680     -0.727678
  H      -5.992306     -3.847874      0.229965
  H      -5.264802     -4.448240      2.539101
  H      -3.923630     -2.897347      3.866198
  H      -2.613094     -0.647165      8.685036
  H      -3.464141     -0.131129      7.211982
  H      -3.905063      1.258596      9.927880
  H      -6.135018      1.440531      9.384079
  H      -5.707411     -1.788907      5.085084
  H     -10.033480     -0.319427      5.066475
  H     -11.313634      1.427777      6.312398
  H     -10.188016      2.725625      8.128290
  H      -7.863479      2.281989      8.717857
  N      -2.697684      3.252472      4.224801
  H      -3.594270      3.728172      4.072916
  H      -2.753342      2.383113      3.632502
  H      -2.002772      3.826015      3.737360
93
Coordinates from ORCA-job orca E -6201.257644341698
  N      -2.891159      4.186976      7.024369
  Mo     -2.082884      2.509691      6.405547
  N      -2.099557      1.293315      7.982042
  C      -1.071218      1.362872      9.003504
  C      -0.576756      2.788374      9.079950
  N      -0.446574      3.349671      7.700424
  C      -0.707751      4.819784      7.686784
  C      -2.187514      5.068743      7.918160
  C       0.883955      3.002132      7.125152
  C       0.772991      2.839533      5.605523
  N      -0.444368      2.139572      5.366208
  H      -2.411988      6.138674      7.736084
  H      -2.463706      4.875066      8.978061
  H      -0.438773      5.163927      6.677937
  H      -0.062334      5.330443      8.422634
  H       1.650162      2.268898      5.248754
  H       0.798729      3.826680      5.102059
  H       1.157193      2.027947      7.552614
  H       1.629197      3.748915      7.449377
  H      -1.461723      1.074726      9.997475
  H      -0.251491      0.652745      8.765976
  H      -1.308353      3.402249      9.617816
  H       0.391186      2.877490      9.601123
  C      -4.337216      4.152779      7.142763
  C      -4.919540      3.236247      6.108069
  C      -6.072316      3.504550      5.467697
  C      -6.763759      2.710902      4.464591
  N      -6.074116      1.743916      3.857027
  C      -6.695167      1.064593      2.872932
  N      -7.919326      1.243258      2.411349
  C      -8.656818      2.209464      3.032596
  C      -9.997057      2.419538      2.624364
  C     -10.783129      3.356352      3.261032
  C     -10.259699      4.121485      4.328471
  C      -8.956150      3.940752      4.742982
  C      -8.125028      2.991437      4.109483
  C      -0.537189      0.881256      4.654470
  C      -1.727730      0.117553      5.179688
  C      -2.708579     -0.529868      4.431330
  C      -3.133273     -0.323520      3.093119
  N      -2.870362      0.855310      2.460586
  C      -3.345775      1.029374      1.221887
  N      -4.059139      0.194766      0.482361
  C      -4.340976     -1.018282      1.072069
  C      -5.105684     -1.959281      0.344969
  C      -5.435056     -3.182768      0.897907
  C      -4.994793     -3.506603      2.195762
  C      -4.237005     -2.602846      2.923197
  C      -3.902261     -1.338217      2.394061
  C      -3.062443      0.196666      8.172503
  C      -4.186612      0.714228      9.001202
  C      -5.503925      0.811448      8.680496
  C      -6.186212      0.259533      7.528072
  N      -5.557876     -0.647613      6.757387
  C      -6.226164     -1.181289      5.722233
  N      -7.492668     -0.997754      5.392794
  C      -8.160861     -0.073990      6.143130
  C      -9.507931      0.214106      5.803444
  C     -10.204589      1.199110      6.464920
  C      -9.577970      1.941339      7.492047
  C      -8.272471      1.672134      7.852856
  C      -7.536438      0.649342      7.208217
  H      -4.750187      5.174047      7.018213
  H      -4.615483      3.794770      8.161026
  H      -4.407398      2.249650      6.005140
  H      -6.517405      4.468535      5.735057
  H      -6.120089      0.272209      2.395708
  H     -10.380459      1.808361      1.806683
  H     -11.815765      3.507414      2.943652
  H     -10.893611      4.853014      4.830597
  H      -8.579755      4.522526      5.584575
  H       0.363453      0.272236      4.895220
  H      -0.581308      1.011453      3.561280
  H      -1.564746     -0.274819      6.180488
  H      -3.228951     -1.323929      4.968026
  H      -3.125787      1.998645      0.757609
  H      -5.430681     -1.676051     -0.656978
  H      -6.030773     -3.900351      0.332281
  H      -5.252389     -4.472523      2.631945
  H      -3.899382     -2.895717      3.917842
  H      -2.567427     -0.667193      8.660350
  H      -3.435327     -0.145077      7.200306
  H      -3.888344      1.201359      9.936139
  H      -6.120026      1.374844      9.381099
  H      -5.636722     -1.853315      5.088842
  H      -9.949460     -0.350854      4.981890
  H     -11.232805      1.426233      6.182013
  H     -10.124083      2.738263      7.997759
  H      -7.815284      2.275766      8.636147
  N      -2.725617      3.231270      4.230919
  H      -3.618779      3.712172      4.075949
  H      -2.789117      2.355011      3.643961
  H      -2.028655      3.791932      3.731819
93
Coordinates from ORCA-job orca E -6201.258643382683
  N      -2.895373      4.195712      7.017056
  Mo     -2.076409      2.518408      6.402985
  N      -2.091581      1.291611      7.973609
  C      -1.067320      1.357337      8.999173
  C      -0.573217      2.781145      9.086787
  N      -0.445959      3.355762      7.713154
  C      -0.718824      4.823649      7.711684
  C      -2.201636      5.056089      7.941059
  C       0.887112      3.022259      7.133686
  C       0.780238      2.873787      5.611471
  N      -0.438803      2.180684      5.359242
  H      -2.433080      6.129273      7.790473
  H      -2.482398      4.826812      8.992245
  H      -0.451916      5.178176      6.705831
  H      -0.078692      5.334809      8.451601
  H       1.656631      2.303862      5.252232
  H       0.811385      3.865074      5.116908
  H       1.167936      2.046224      7.552162
  H       1.627096      3.770634      7.465732
  H      -1.462405      1.062962      9.989493
  H      -0.246506      0.648053      8.762306
  H      -1.303185      3.389017      9.633536
  H       0.395965      2.865823      9.606395
  C      -4.340295      4.141911      7.152977
  C      -4.930467      3.237505      6.114100
  C      -6.076310      3.523330      5.469323
  C      -6.776020      2.737134      4.466151
  N      -6.101119      1.755216      3.865178
  C      -6.733559      1.078617      2.885669
  N      -7.952792      1.279123      2.419061
  C      -8.674419      2.262289      3.032126
  C     -10.010085      2.493474      2.620588
  C     -10.782964      3.441827      3.256994
  C     -10.249687      4.198042      4.326073
  C      -8.949108      3.998592      4.741391
  C      -8.131485      3.037881      4.107635
  C      -0.538959      0.927690      4.634488
  C      -1.719655      0.155247      5.171789
  C      -2.697928     -0.513816      4.432423
  C      -3.146408     -0.325080      3.102445
  N      -2.901787      0.848288      2.451818
  C      -3.402051      1.009729      1.221564
  N      -4.123308      0.164276      0.502580
  C      -4.381749     -1.047768      1.106096
  C      -5.147306     -2.002697      0.398770
  C      -5.450121     -3.227868      0.964410
  C      -4.980687     -3.538848      2.254702
  C      -4.221831     -2.620192      2.962890
  C      -3.915750     -1.353798      2.421969
  C      -3.047041      0.186208      8.153794
  C      -4.175982      0.685268      8.988781
  C      -5.493806      0.774388      8.666354
  C      -6.165866      0.222336      7.507840
  N      -5.534960     -0.696245      6.753026
  C      -6.198265     -1.238774      5.718234
  N      -7.462398     -1.056156      5.379467
  C      -8.131518     -0.118403      6.111552
  C      -9.474725      0.171179      5.759150
  C     -10.169348      1.171816      6.399796
  C      -9.542608      1.930317      7.414757
  C      -8.240849      1.658954      7.788490
  C      -7.509584      0.617672      7.168963
  H      -4.765861      5.161173      7.055473
  H      -4.600037      3.759120      8.166845
  H      -4.419936      2.252588      6.002960
  H      -6.509027      4.492769      5.736358
  H      -6.174718      0.268390      2.419106
  H     -10.401675      1.887463      1.802994
  H     -11.812973      3.608209      2.938887
  H     -10.873430      4.938293      4.828113
  H      -8.564748      4.574274      5.583377
  H       0.368266      0.322734      4.857430
  H      -0.598484      1.066731      3.542827
  H      -1.533746     -0.249081      6.163643
  H      -3.191667     -1.318647      4.977885
  H      -3.197441      1.976974      0.746126
  H      -5.493959     -1.729825     -0.598746
  H      -6.046046     -3.956515      0.413389
  H      -5.216256     -4.505833      2.700856
  H      -3.859648     -2.902742      3.951784
  H      -2.542854     -0.679238      8.629050
  H      -3.419499     -0.148640      7.179096
  H      -3.883534      1.163725      9.929933
  H      -6.117483      1.325825      9.370246
  H      -5.607079     -1.918830      5.095975
  H      -9.914300     -0.404430      4.944001
  H     -11.193998      1.401044      6.106073
  H     -10.085255      2.742012      7.900236
  H      -7.781196      2.276133      8.559949
  N      -2.748967      3.221905      4.235373
  H      -3.635782      3.714175      4.080538
  H      -2.826300      2.344302      3.648097
  H      -2.047025      3.767823      3.727079
93
Coordinates from ORCA-job orca E -6201.259731580584
  N      -2.902142      4.200904      7.008243
  Mo     -2.069820      2.522707      6.403647
  N      -2.084404      1.286852      7.969045
  C      -1.063649      1.348184      8.998220
  C      -0.570039      2.770823      9.097021
  N      -0.447076      3.358719      7.729179
  C      -0.733375      4.823946      7.738584
  C      -2.219410      5.039493      7.962713
  C       0.888522      3.040286      7.145705
  C       0.785755      2.908835      5.620963
  N      -0.434140      2.222273      5.354005
  H      -2.458191      6.114738      7.842662
  H      -2.505718      4.775550      9.003886
  H      -0.467156      5.188345      6.735974
  H      -0.100157      5.336428      8.483434
  H       1.661651      2.340564      5.258140
  H       0.821991      3.905262      5.137565
  H       1.177078      2.062136      7.554170
  H       1.623057      3.790115      7.486350
  H      -1.463196      1.047500      9.984877
  H      -0.242180      0.639482      8.761475
  H      -1.297786      3.372968      9.652964
  H       0.400839      2.851161      9.614125
  C      -4.346024      4.125787      7.159279
  C      -4.941917      3.230017      6.118314
  C      -6.078234      3.533185      5.464867
  C      -6.785337      2.750680      4.464027
  N      -6.124679      1.753116      3.872555
  C      -6.767622      1.077304      2.898903
  N      -7.982299      1.295603      2.427678
  C      -8.688671      2.296112      3.030116
  C     -10.019428      2.546759      2.613853
  C     -10.778396      3.510361      3.244307
  C     -10.235352      4.263073      4.311173
  C      -8.938361      4.046218      4.728898
  C      -8.134709      3.070290      4.100389
  C      -0.540870      0.978707      4.609381
  C      -1.710123      0.193111      5.154818
  C      -2.683379     -0.497981      4.422730
  C      -3.154906     -0.324768      3.101118
  N      -2.932615      0.845246      2.436054
  C      -3.459724      0.995145      1.215761
  N      -4.189362      0.139665      0.517388
  C      -4.420485     -1.072828      1.131841
  C      -5.186513     -2.041384      0.444035
  C      -5.456928     -3.270410      1.018582
  C      -4.953305     -3.571202      2.297986
  C      -4.194906     -2.637640      2.987482
  C      -3.923006     -1.367388      2.438380
  C      -3.034230      0.174891      8.139167
  C      -4.165607      0.658791      8.981016
  C      -5.483902      0.743914      8.659024
  C      -6.149737      0.195995      7.494579
  N      -5.520917     -0.732703      6.751093
  C      -6.184305     -1.279462      5.717437
  N      -7.446417     -1.093069      5.373786
  C      -8.111239     -0.141751      6.092180
  C      -9.450777      0.154289      5.732312
  C     -10.138540      1.169415      6.358227
  C      -9.507134      1.937018      7.363215
  C      -8.208848      1.658656      7.744879
  C      -7.486768      0.601168      7.142735
  H      -4.785079      5.141498      7.087361
  H      -4.586691      3.719740      8.168628
  H      -4.434383      2.244969      6.003908
  H      -6.498305      4.509120      5.727493
  H      -6.223344      0.251665      2.442743
  H     -10.419073      1.942517      1.798833
  H     -11.805281      3.691100      2.923866
  H     -10.848617      5.014888      4.808949
  H      -8.545931      4.620305      5.568200
  H       0.373526      0.377732      4.810619
  H      -0.616389      1.133583      3.520925
  H      -1.501353     -0.222836      6.137499
  H      -3.148873     -1.314793      4.975203
  H      -3.273136      1.961180      0.730910
  H      -5.558501     -1.777038     -0.546657
  H      -6.052563     -4.009850      0.481746
  H      -5.162026     -4.541184      2.751030
  H      -3.804376     -2.911499      3.968056
  H      -2.523206     -0.693053      8.602433
  H      -3.406989     -0.152742      7.162086
  H      -3.876510      1.127857      9.927891
  H      -6.112301      1.284681      9.367437
  H      -5.595689     -1.968153      5.103266
  H      -9.892415     -0.427057      4.922376
  H     -11.159966      1.404418      6.057823
  H     -10.042961      2.761842      7.833907
  H      -7.742659      2.283765      8.506203
  N      -2.773955      3.206133      4.242466
  H      -3.657873      3.703566      4.088850
  H      -2.858015      2.329711      3.652539
  H      -2.070347      3.744445      3.728094
93
Coordinates from ORCA-job orca E -6201.260916243898
  N      -2.900362      4.208107      6.992659
  Mo     -2.056044      2.528328      6.397191
  N      -2.079372      1.281973      7.956398
  C      -1.064607      1.335775      8.991935
  C      -0.568894      2.756290      9.105605
  N      -0.443888      3.358642      7.744840
  C      -0.740158      4.821589      7.765334
  C      -2.229607      5.024405      7.977106
  C       0.895382      3.052939      7.161957
  C       0.801732      2.940664      5.634697
  N      -0.419514      2.263437      5.348627
  H      -2.472707      6.101195      7.883865
  H      -2.525819      4.729576      9.006862
  H      -0.468305      5.196548      6.768014
  H      -0.116581      5.332819      8.519055
  H       1.677387      2.373161      5.270313
  H       0.846185      3.942593      5.163764
  H       1.187858      2.071766      7.560549
  H       1.625124      3.802088      7.514206
  H      -1.471610      1.027866      9.973344
  H      -0.243024      0.626606      8.756361
  H      -1.295245      3.353679      9.668577
  H       0.401871      2.829443      9.624014
  C      -4.343879      4.114790      7.153386
  C      -4.945525      3.225814      6.111465
  C      -6.070809      3.546212      5.447702
  C      -6.784188      2.762683      4.452196
  N      -6.134154      1.751588      3.871359
  C      -6.786734      1.069621      2.907955
  N      -8.000381      1.295300      2.437092
  C      -8.695539      2.310000      3.028712
  C     -10.024815      2.569196      2.612607
  C     -10.773006      3.546165      3.235594
  C     -10.220183      4.304035      4.294063
  C      -8.923710      4.080141      4.709600
  C      -8.130665      3.091367      4.087455
  C      -0.532074      1.027129      4.588998
  C      -1.695327      0.237107      5.142169
  C      -2.666162     -0.470915      4.416953
  C      -3.152747     -0.313955      3.101129
  N      -2.937621      0.847284      2.417974
  C      -3.485002      0.985657      1.205312
  N      -4.231165      0.125939      0.529723
  C      -4.451397     -1.081080      1.159560
  C      -5.228871     -2.056353      0.494526
  C      -5.483926     -3.282636      1.082778
  C      -4.953323     -3.573373      2.353321
  C      -4.185239     -2.631586      3.021212
  C      -3.929265     -1.364317      2.458550
  C      -3.027108      0.165893      8.112879
  C      -4.160314      0.638128      8.960271
  C      -5.480281      0.716894      8.642634
  C      -6.145728      0.169314      7.477075
  N      -5.521205     -0.767383      6.740618
  C      -6.189908     -1.319547      5.711851
  N      -7.451984     -1.130844      5.369879
  C      -8.110514     -0.168132      6.078835
  C      -9.449247      0.131445      5.719849
  C     -10.129740      1.156457      6.338437
  C      -9.490888      1.930803      7.333426
  C      -8.193019      1.648576      7.714615
  C      -7.479750      0.580226      7.121389
  H      -4.793620      5.127231      7.103191
  H      -4.569636      3.689235      8.158140
  H      -4.442156      2.240364      5.996148
  H      -6.479264      4.528565      5.703892
  H      -6.253229      0.231200      2.462510
  H     -10.432210      1.960463      1.804757
  H     -11.799186      3.733204      2.916395
  H     -10.825483      5.065724      4.786613
  H      -8.523259      4.659068      5.541770
  H       0.386839      0.428136      4.772393
  H      -0.620736      1.195243      3.503697
  H      -1.471252     -0.185079      6.119234
  H      -3.114212     -1.291635      4.978023
  H      -3.300851      1.944542      0.705874
  H      -5.620643     -1.800519     -0.490818
  H      -6.087772     -4.027388      0.562603
  H      -5.148996     -4.541048      2.817120
  H      -3.773940     -2.896131      3.995909
  H      -2.513117     -0.705878      8.565590
  H      -3.398676     -0.153867      7.132630
  H      -3.872800      1.100089      9.911136
  H      -6.110985      1.248311      9.356430
  H      -5.606963     -2.017573      5.103739
  H      -9.896013     -0.454432      4.916003
  H     -11.150518      1.394655      6.038141
  H     -10.020335      2.764343      7.795976
  H      -7.718297      2.279197      8.466295
  N      -2.785795      3.196772      4.242406
  H      -3.669246      3.694936      4.089930
  H      -2.868851      2.326290      3.643042
  H      -2.081605      3.736562      3.729999
93
Coordinates from ORCA-job orca E -6201.262130142230
  N      -2.900745      4.211359      6.976441
  Mo     -2.043680      2.527962      6.396212
  N      -2.076938      1.279045      7.955473
  C      -1.065917      1.328033      8.995035
  C      -0.565735      2.745812      9.116135
  N      -0.440828      3.356845      7.759792
  C      -0.747621      4.817327      7.786046
  C      -2.240050      5.007743      7.986777
  C       0.900769      3.061466      7.175970
  C       0.813130      2.966220      5.647112
  N      -0.409679      2.298406      5.345040
  H      -2.488333      6.085038      7.917748
  H      -2.543590      4.685032      9.005693
  H      -0.471315      5.199268      6.792490
  H      -0.133125      5.330136      8.546131
  H       1.687580      2.398996      5.279583
  H       0.864846      3.973030      5.187886
  H       1.197066      2.078014      7.566277
  H       1.626974      3.810062      7.536740
  H      -1.479169      1.017952      9.973201
  H      -0.246051      0.615975      8.762054
  H      -1.288848      3.341964      9.684631
  H       0.406050      2.812962      9.633380
  C      -4.343486      4.099213      7.147821
  C      -4.951497      3.211599      6.109905
  C      -6.064027      3.549064      5.432686
  C      -6.785819      2.765719      4.442893
  N      -6.148573      1.742124      3.869301
  C      -6.811668      1.060462      2.912529
  N      -8.022772      1.298180      2.441416
  C      -8.704695      2.326070      3.025327
  C     -10.031203      2.598901      2.608712
  C     -10.766727      3.588202      3.227070
  C     -10.203642      4.345216      4.280961
  C      -8.909052      4.109139      4.695215
  C      -8.128515      3.107875      4.076977
  C      -0.531214      1.073235      4.563996
  C      -1.686626      0.274988      5.123612
  C      -2.654447     -0.449631      4.404640
  C      -3.157225     -0.305524      3.095581
  N      -2.953859      0.850167      2.398872
  C      -3.521041      0.978592      1.194347
  N      -4.279317      0.114115      0.538636
  C      -4.482937     -1.090692      1.178830
  C      -5.265428     -2.074139      0.532000
  C      -5.496738     -3.302039      1.127014
  C      -4.936379     -3.586212      2.385907
  C      -4.165261     -2.634822      3.036791
  C      -3.935159     -1.365488      2.468372
  C      -3.024003      0.162030      8.105584
  C      -4.157473      0.628540      8.956542
  C      -5.477860      0.702659      8.641221
  C      -6.138821      0.154099      7.473126
  N      -5.513426     -0.788484      6.745881
  C      -6.181725     -1.347126      5.719239
  N      -7.441977     -1.157221      5.373115
  C      -8.099216     -0.185160      6.070597
  C      -9.434840      0.117971      5.704290
  C     -10.112372      1.151438      6.312574
  C      -9.473140      1.930893      7.303129
  C      -8.178000      1.645347      7.691360
  C      -7.468866      0.568490      7.108955
  H      -4.804107      5.107359      7.115538
  H      -4.552748      3.658766      8.149812
  H      -4.454704      2.223377      5.999812
  H      -6.458045      4.539503      5.679240
  H      -6.289967      0.211963      2.472967
  H     -10.446838      1.990356      1.804925
  H     -11.791132      3.785569      2.908346
  H     -10.799615      5.116159      4.770455
  H      -8.500243      4.688378      5.523118
  H       0.392596      0.475519      4.723077
  H      -0.636006      1.261262      3.483809
  H      -1.443050     -0.157369      6.091929
  H      -3.082619     -1.276468      4.972235
  H      -3.342470      1.932084      0.682965
  H      -5.678406     -1.824502     -0.446280
  H      -6.103705     -4.053205      0.619809
  H      -5.111461     -4.555549      2.854501
  H      -3.730293     -2.892970      4.003009
  H      -2.508830     -0.712202      8.552475
  H      -3.395647     -0.154040      7.124158
  H      -3.870927      1.086854      9.909421
  H      -6.111843      1.227813      9.356989
  H      -5.599999     -2.052547      5.119249
  H      -9.881389     -0.471381      4.902907
  H     -11.130799      1.392444      6.006531
  H      -9.999941      2.771444      7.755880
  H      -7.700122      2.280005      8.437745
  N      -2.808832      3.176062      4.249474
  H      -3.694574      3.671618      4.103487
  H      -2.890164      2.312735      3.640427
  H      -2.108288      3.722235      3.738313
93
Coordinates from ORCA-job orca E -6201.263334864788
  N      -2.899909      4.220689      6.961275
  Mo     -2.030833      2.535083      6.391401
  N      -2.074098      1.273741      7.941302
  C      -1.067547      1.311661      8.985450
  C      -0.565722      2.728776      9.124619
  N      -0.439645      3.354872      7.775831
  C      -0.755397      4.813404      7.811681
  C      -2.250479      4.993911      7.999002
  C       0.905065      3.070425      7.193515
  C       0.827021      2.996752      5.662464
  N      -0.397656      2.339781      5.339962
  H      -2.502749      6.071443      7.954848
  H      -2.563311      4.642928      9.005471
  H      -0.471936      5.205736      6.824070
  H      -0.151211      5.323996      8.581469
  H       1.700758      2.429519      5.293410
  H       0.888123      4.009000      5.216801
  H       1.202754      2.083034      7.572913
  H       1.628094      3.816104      7.566682
  H      -1.486681      0.991699      9.957924
  H      -0.247789      0.600162      8.750242
  H      -1.286948      3.319745      9.700979
  H       0.406159      2.787439      9.642632
  C      -4.343042      4.092345      7.137181
  C      -4.954515      3.206558      6.100589
  C      -6.052975      3.561230      5.409263
  C      -6.780779      2.774807      4.426263
  N      -6.152242      1.740539      3.861602
  C      -6.824339      1.052145      2.915539
  N      -8.036763      1.291662      2.448526
  C      -8.709893      2.329920      3.024310
  C     -10.036940      2.606358      2.611231
  C     -10.763071      3.606815      3.222703
  C     -10.190020      4.371670      4.265771
  C      -8.894360      4.132997      4.675006
  C      -8.122841      3.120975      4.062350
  C      -0.521546      1.122114      4.543714
  C      -1.671559      0.319460      5.109728
  C      -2.636436     -0.422010      4.398534
  C      -3.149307     -0.295972      3.092984
  N      -2.948425      0.848461      2.376859
  C      -3.531089      0.963163      1.178230
  N      -4.305788      0.095524      0.545941
  C      -4.503318     -1.101019      1.203335
  C      -5.297840     -2.089944      0.579741
  C      -5.518036     -3.312920      1.189234
  C      -4.934415     -3.586655      2.439655
  C      -4.153452     -2.628416      3.068781
  C      -3.935422     -1.363376      2.486315
  C      -3.018934      0.152839      8.072908
  C      -4.152942      0.606055      8.931783
  C      -5.475462      0.674701      8.624510
  C      -6.141460      0.130584      7.455760
  N      -5.523330     -0.815118      6.727544
  C      -6.200752     -1.372206      5.704401
  N      -7.460807     -1.174426      5.363168
  C      -8.109060     -0.195709      6.059751
  C      -9.443836      0.115931      5.698583
  C     -10.112068      1.153773      6.310362
  C      -9.463997      1.928692      7.298636
  C      -8.169266      1.634494      7.682128
  C      -7.470028      0.553084      7.096076
  H      -4.813585      5.096238      7.121045
  H      -4.540581      3.637889      8.135376
  H      -4.465893      2.214806      5.995858
  H      -6.435022      4.558636      5.645595
  H      -6.309507      0.196046      2.482460
  H     -10.460386      1.991742      1.816115
  H     -11.788092      3.806883      2.907422
  H     -10.779362      5.150586      4.750758
  H      -8.477349      4.718474      5.494442
  H       0.406124      0.526746      4.686270
  H      -0.637383      1.324574      3.467671
  H      -1.413679     -0.115581      6.073948
  H      -3.052376     -1.247867      4.976644
  H      -3.351155      1.906907      0.650150
  H      -5.727500     -1.849499     -0.393730
  H      -6.133745     -4.068320      0.698964
  H      -5.099309     -4.552512      2.919162
  H      -3.700996     -2.876894      4.029515
  H      -2.502637     -0.727506      8.506555
  H      -3.389494     -0.150875      7.087223
  H      -3.865001      1.056587      9.887996
  H      -6.108890      1.190717      9.347599
  H      -5.627780     -2.084313      5.104807
  H      -9.897327     -0.469826      4.898449
  H     -11.130078      1.401788      6.008274
  H      -9.983767      2.772786      7.753044
  H      -7.682418      2.265248      8.426144
  N      -2.811595      3.169262      4.247842
  H      -3.700853      3.658963      4.105473
  H      -2.881595      2.317133      3.623728
  H      -2.112878      3.729870      3.749450
93
Coordinates from ORCA-job orca E -6201.264563670514
  N      -2.894237      4.221295      6.939739
  Mo     -2.012388      2.532584      6.383124
  N      -2.076073      1.271673      7.935482
  C      -1.073622      1.303362      8.984520
  C      -0.563621      2.715807      9.130305
  N      -0.431983      3.349233      7.785881
  C      -0.755520      4.805494      7.826060
  C      -2.253291      4.977376      7.998244
  C       0.915364      3.072794      7.205290
  C       0.845829      3.018070      5.673508
  N      -0.380295      2.372206      5.333857
  H      -2.509139      6.054596      7.972701
  H      -2.574624      4.604171      8.993787
  H      -0.462775      5.204402      6.843706
  H      -0.162750      5.316393      8.604558
  H       1.718554      2.451440      5.301381
  H       0.914744      4.035326      5.240922
  H       1.213727      2.082382      7.576324
  H       1.635998      3.815919      7.588348
  H      -1.500223      0.982871      9.953680
  H      -0.256780      0.587235      8.752869
  H      -1.282430      3.307670      9.708849
  H       0.407648      2.766547      9.650292
  C      -4.337070      4.076442      7.123029
  C      -4.956054      3.187428      6.094044
  C      -6.040809      3.557917      5.388613
  C      -6.778806      2.772356      4.412248
  N      -6.161549      1.730697      3.848426
  C      -6.844575      1.044846      2.907796
  N      -8.056942      1.293510      2.446132
  C      -8.718958      2.339066      3.021651
  C     -10.045414      2.626121      2.613541
  C     -10.759717      3.634403      3.225937
  C     -10.175123      4.396658      4.264746
  C      -8.879450      4.148359      4.667787
  C      -8.119633      3.128394      4.053389
  C      -0.511080      1.163264      4.521063
  C      -1.653875      0.357411      5.098168
  C      -2.620349     -0.396495      4.396365
  C      -3.145643     -0.282012      3.096719
  N      -2.949591      0.855089      2.366515
  C      -3.548320      0.960645      1.175018
  N      -4.338436      0.092156      0.563177
  C      -4.527450     -1.099653      1.231949
  C      -5.332438     -2.092124      0.627599
  C      -5.537800     -3.313916      1.244873
  C      -4.928414     -3.582868      2.483824
  C      -4.139497     -2.619428      3.095317
  C      -3.937942     -1.355136      2.505959
  C      -3.023238      0.152713      8.060919
  C      -4.157486      0.604401      8.920919
  C      -5.480584      0.666363      8.616987
  C      -6.143302      0.117951      7.447750
  N      -5.521916     -0.830133      6.726409
  C      -6.197503     -1.393208      5.704125
  N      -7.455657     -1.195558      5.358055
  C      -8.105685     -0.211905      6.046170
  C      -9.438257      0.100229      5.678349
  C     -10.107503      1.140866      6.284671
  C      -9.462813      1.917725      7.273576
  C      -8.170097      1.623157      7.663464
  C      -7.470175      0.539471      7.082397
  H      -4.816398      5.076201      7.118728
  H      -4.520753      3.613780      8.120341
  H      -4.475857      2.192022      5.998657
  H      -6.407439      4.563460      5.614105
  H      -6.338907      0.183923      2.473755
  H     -10.477790      2.013343      1.821770
  H     -11.784507      3.842765      2.915149
  H     -10.755830      5.181208      4.751129
  H      -8.453113      4.732282      5.483633
  H       0.421055      0.570313      4.638920
  H      -0.645015      1.383490      3.451088
  H      -1.377403     -0.083985      6.054954
  H      -3.023832     -1.222815      4.982808
  H      -3.367387      1.896200      0.633161
  H      -5.780319     -1.856555     -0.338903
  H      -6.160989     -4.072110      0.768417
  H      -5.079526     -4.548417      2.968614
  H      -3.667652     -2.862606      4.048272
  H      -2.509588     -0.730525      8.492187
  H      -3.392568     -0.148375      7.073851
  H      -3.869615      1.055238      9.877031
  H      -6.116748      1.178465      9.340612
  H      -5.624161     -2.110942      5.112108
  H      -9.889335     -0.486894      4.877848
  H     -11.123900      1.389438      5.977485
  H      -9.983844      2.763749      7.723031
  H      -7.683790      2.254555      8.407379
  N      -2.831643      3.150768      4.252121
  H      -3.724006      3.638471      4.124198
  H      -2.901997      2.311868      3.612298
  H      -2.138503      3.725344      3.761337
93
Coordinates from ORCA-job orca E -6201.265842874984
  N      -2.895577      4.230234      6.927837
  Mo     -2.003200      2.538135      6.383194
  N      -2.078205      1.268025      7.927273
  C      -1.076672      1.286940      8.976885
  C      -0.562715      2.698974      9.138595
  N      -0.431724      3.344618      7.800643
  C      -0.762181      4.799673      7.846251
  C      -2.261449      4.965581      8.007287
  C       0.916851      3.074628      7.220253
  C       0.853603      3.043005      5.687328
  N      -0.375742      2.410351      5.328605
  H      -2.520291      6.042241      8.002537
  H      -2.589059      4.569385      8.991726
  H      -0.462461      5.205870      6.868907
  H      -0.178658      5.309211      8.632679
  H       1.724052      2.476043      5.310655
  H       0.931680      4.065804      5.270163
  H       1.213630      2.079347      7.579508
  H       1.637678      3.812065      7.614116
  H      -1.506432      0.957791      9.941729
  H      -0.261736      0.570371      8.740321
  H      -1.277530      3.287690      9.725260
  H       0.409643      2.739763      9.657196
  C      -4.338751      4.071353      7.116050
  C      -4.962929      3.178252      6.093588
  C      -6.029486      3.567432      5.369983
  C      -6.773808      2.779940      4.399641
  N      -6.163971      1.729478      3.843159
  C      -6.852810      1.040915      2.908511
  N      -8.064400      1.293532      2.447232
  C      -8.719414      2.347397      3.016173
  C     -10.045153      2.639206      2.608587
  C     -10.752456      3.655316      3.215828
  C     -10.161882      4.420884      4.248905
  C      -8.866577      4.168630      4.650430
  C      -8.113329      3.140882      4.040208
  C      -0.509594      1.213789      4.493134
  C      -1.641075      0.394676      5.075914
  C      -2.603347     -0.377698      4.383500
  C      -3.141606     -0.278847      3.088705
  N      -2.956761      0.851150      2.344374
  C      -3.571919      0.943357      1.160103
  N      -4.370964      0.068942      0.568556
  C      -4.543769     -1.118594      1.248593
  C      -5.351281     -2.120178      0.662548
  C      -5.533850     -3.341822      1.286776
  C      -4.898612     -3.601941      2.514429
  C      -4.109615     -2.628242      3.109388
  C      -3.932671     -1.363015      2.514066
  C      -3.024785      0.148128      8.036093
  C      -4.156729      0.589847      8.905678
  C      -5.481657      0.648173      8.612164
  C      -6.150416      0.105616      7.442220
  N      -5.533911     -0.841244      6.716679
  C      -6.216666     -1.400200      5.695496
  N      -7.474169     -1.194951      5.353946
  C      -8.117994     -0.209447      6.045424
  C      -9.448961      0.111835      5.680835
  C     -10.110979      1.153574      6.293554
  C      -9.460742      1.921650      7.285465
  C      -8.169260      1.618071      7.672230
  C      -7.476542      0.533831      7.083458
  H      -4.826760      5.066569      7.122009
  H      -4.510598      3.601899      8.112388
  H      -4.496799      2.175964      6.011602
  H      -6.379944      4.581864      5.579830
  H      -6.351467      0.175242      2.478188
  H     -10.482516      2.023693      1.821661
  H     -11.776759      3.867358      2.905765
  H     -10.737943      5.210947      4.731912
  H      -8.435074      4.754997      5.461847
  H       0.428120      0.625518      4.584787
  H      -0.660300      1.457045      3.431015
  H      -1.343797     -0.050892      6.025622
  H      -2.990299     -1.205497      4.979001
  H      -3.397073      1.872018      0.605258
  H      -5.817683     -1.892664     -0.297144
  H      -6.158421     -4.107030      0.823412
  H      -5.029687     -4.568254      3.003596
  H      -3.618283     -2.862919      4.054647
  H      -2.512770     -0.742568      8.454250
  H      -3.395260     -0.139584      7.045521
  H      -3.863931      1.034100      9.863375
  H      -6.115868      1.152256      9.343174
  H      -5.649704     -2.120119      5.100676
  H      -9.904687     -0.468499      4.878050
  H     -11.126357      1.409711      5.989129
  H      -9.976936      2.768181      7.739572
  H      -7.676862      2.242059      8.418331
  N      -2.838632      3.137085      4.256231
  H      -3.734431      3.620572      4.139337
  H      -2.899952      2.312924      3.600145
  H      -2.148394      3.730311      3.783435
93
Coordinates from ORCA-job orca E -6201.267139159472
  N      -2.893379      4.231512      6.913612
  Mo     -1.987492      2.540109      6.372502
  N      -2.082607      1.262248      7.910037
  C      -1.083029      1.268747      8.962355
  C      -0.563058      2.677600      9.139081
  N      -0.426701      3.336227      7.808222
  C      -0.763319      4.789523      7.861413
  C      -2.264047      4.950097      8.009438
  C       0.923895      3.075305      7.229140
  C       0.869068      3.071453      5.695974
  N      -0.361689      2.451092      5.317653
  H      -2.525278      6.026064      8.021102
  H      -2.597887      4.535437      8.984143
  H      -0.453525      5.204569      6.890858
  H      -0.191116      5.296094      8.658173
  H       1.738786      2.507286      5.313690
  H       0.954049      4.100842      5.296961
  H       1.218999      2.074469      7.574187
  H       1.643940      3.806285      7.636709
  H      -1.517356      0.932099      9.922671
  H      -0.269879      0.551141      8.722583
  H      -1.276601      3.263494      9.730271
  H       0.408182      2.708182      9.660448
  C      -4.336733      4.057451      7.107057
  C      -4.967088      3.160494      6.090851
  C      -6.019060      3.564852      5.353218
  C      -6.773463      2.779601      4.388459
  N      -6.173682      1.723866      3.830825
  C      -6.872836      1.037849      2.901345
  N      -8.086304      1.296399      2.448414
  C      -8.731665      2.355027      3.020027
  C     -10.057591      2.655890      2.619137
  C     -10.752883      3.679976      3.226899
  C     -10.150207      4.444351      4.254083
  C      -8.854512      4.183301      4.648650
  C      -8.113000      3.147848      4.036528
  C      -0.493751      1.262289      4.467059
  C      -1.610382      0.433329      5.064780
  C      -2.573852     -0.355498      4.388242
  C      -3.128389     -0.270853      3.100351
  N      -2.957175      0.853079      2.342453
  C      -3.592032      0.932439      1.167511
  N      -4.401649      0.052681      0.598188
  C      -4.558806     -1.129896      1.290179
  C      -5.373911     -2.138290      0.726277
  C      -5.537426     -3.357700      1.360033
  C      -4.875572     -3.608797      2.575460
  C      -4.080958     -2.627165      3.150047
  C      -3.923601     -1.363662      2.545481
  C      -3.030810      0.143241      8.003418
  C      -4.162759      0.576422      8.878302
  C      -5.488750      0.629569      8.591229
  C      -6.159833      0.090205      7.419658
  N      -5.545801     -0.856851      6.693504
  C      -6.231131     -1.412051      5.670477
  N      -7.486009     -1.197838      5.326470
  C      -8.126226     -0.209735      6.017737
  C      -9.454367      0.120047      5.651076
  C     -10.112456      1.161859      6.268198
  C      -9.461589      1.920577      7.266903
  C      -8.172911      1.608398      7.655936
  C      -7.483948      0.524595      7.061571
  H      -4.833630      5.048032      7.123083
  H      -4.496253      3.582116      8.102864
  H      -4.513066      2.152748      6.019435
  H      -6.354402      4.586631      5.551818
  H      -6.377087      0.171257      2.466043
  H     -10.504278      2.041575      1.836368
  H     -11.777331      3.899439      2.922058
  H     -10.717679      5.240009      4.738320
  H      -8.412953      4.768513      5.455717
  H       0.451373      0.683085      4.532523
  H      -0.666021      1.522026      3.412627
  H      -1.291401     -0.009622      6.009856
  H      -2.945787     -1.181943      4.995317
  H      -3.425840      1.854578      0.599839
  H      -5.860479     -1.918529     -0.225329
  H      -6.167725     -4.128098      0.912975
  H      -4.989964     -4.574067      3.071108
  H      -3.570104     -2.853168      4.087154
  H      -2.522313     -0.754006      8.412148
  H      -3.399964     -0.133051      7.009005
  H      -3.867552      1.017097      9.837029
  H      -6.123095      1.127866      9.326206
  H      -5.668664     -2.137024      5.077753
  H      -9.911216     -0.453383      4.843899
  H     -11.125683      1.425185      5.962285
  H      -9.975663      2.766659      7.724560
  H      -7.678636      2.224019      8.407802
  N      -2.851637      3.127892      4.258460
  H      -3.751635      3.607715      4.161873
  H      -2.908838      2.322985      3.581445
  H      -2.167716      3.743999      3.805692
93
Coordinates from ORCA-job orca E -6201.268602640446
  N      -2.888344      4.237593      6.903832
  Mo     -1.974730      2.544173      6.368866
  N      -2.091940      1.261932      7.900068
  C      -1.092879      1.254039      8.952572
  C      -0.563851      2.659934      9.142506
  N      -0.420868      3.326749      7.817059
  C      -0.757141      4.780465      7.872089
  C      -2.258258      4.944395      8.008706
  C       0.930029      3.064671      7.240559
  C       0.882286      3.088156      5.707944
  N      -0.352262      2.484742      5.309258
  H      -2.516518      6.020902      8.028655
  H      -2.598034      4.521494      8.977881
  H      -0.435982      5.198973      6.906724
  H      -0.193635      5.284144      8.677000
  H       1.749244      2.524691      5.318833
  H       0.976646      4.123858      5.328569
  H       1.216051      2.056605      7.571920
  H       1.654627      3.784266      7.660606
  H      -1.530692      0.911658      9.909281
  H      -0.283419      0.534034      8.708122
  H      -1.274021      3.246611      9.737032
  H       0.406413      2.677855      9.666060
  C      -4.332542      4.056645      7.100453
  C      -4.970546      3.150500      6.095337
  C      -6.003309      3.568990      5.337785
  C      -6.762840      2.780983      4.378693
  N      -6.166088      1.720301      3.826408
  C      -6.866191      1.032510      2.898810
  N      -8.078642      1.292009      2.444580
  C      -8.722075      2.354454      3.012198
  C     -10.047755      2.655724      2.610613
  C     -10.741187      3.683095      3.214597
  C     -10.137339      4.450478      4.238786
  C      -8.841810      4.189303      4.633799
  C      -8.101848      3.150476      4.025021
  C      -0.484650      1.309797      4.435069
  C      -1.584269      0.462650      5.039000
  C      -2.546747     -0.340394      4.375625
  C      -3.117846     -0.264429      3.094778
  N      -2.960179      0.856147      2.328441
  C      -3.612283      0.926188      1.162454
  N      -4.429673      0.042380      0.610839
  C      -4.571332     -1.137301      1.310122
  C      -5.391105     -2.151459      0.763044
  C      -5.535475     -3.370502      1.401345
  C      -4.850139     -3.615851      2.604998
  C      -4.052869     -2.627783      3.164526
  C      -3.914842     -1.364193      2.555364
  C      -3.044025      0.146544      7.977584
  C      -4.173085      0.574054      8.860138
  C      -5.500915      0.621133      8.585148
  C      -6.179120      0.084340      7.415363
  N      -5.566900     -0.857866      6.682405
  C      -6.257512     -1.409005      5.659753
  N      -7.512853     -1.191619      5.322023
  C      -8.150938     -0.207159      6.020730
  C      -9.479339      0.126656      5.659333
  C     -10.134632      1.164358      6.286378
  C      -9.481373      1.913887      7.290296
  C      -8.192248      1.597918      7.673959
  C      -7.505302      0.519335      7.067659
  H      -4.833840      5.044569      7.116665
  H      -4.484444      3.585218      8.099351
  H      -4.535819      2.134399      6.044121
  H      -6.320936      4.600097      5.515438
  H      -6.369967      0.165065      2.464861
  H     -10.495636      2.039051      1.830400
  H     -11.765290      3.903155      2.909008
  H     -10.703915      5.248520      4.720128
  H      -8.398871      4.776354      5.438852
  H       0.467442      0.739832      4.467785
  H      -0.679315      1.595010      3.391932
  H      -1.244770      0.020890      5.978800
  H      -2.902856     -1.168354      4.990018
  H      -3.453474      1.843282      0.585003
  H      -5.895488     -1.936891     -0.180440
  H      -6.169153     -4.145229      0.966685
  H      -4.948121     -4.581657      3.103126
  H      -3.525595     -2.847437      4.094119
  H      -2.541964     -0.759244      8.375786
  H      -3.413454     -0.116434      6.979481
  H      -3.871354      1.011764      9.818172
  H      -6.132861      1.112227      9.326967
  H      -5.698706     -2.132535      5.061873
  H      -9.939032     -0.439996      4.849027
  H     -11.148312      1.431151      5.985090
  H      -9.994684      2.755871      7.756288
  H      -7.695214      2.205458      8.430413
  N      -2.857131      3.114110      4.264807
  H      -3.760505      3.590770      4.189411
  H      -2.907764      2.329208      3.567979
  H      -2.178268      3.754252      3.838447
93
Coordinates from ORCA-job orca E -6201.269959944972
  N      -2.889349      4.239392      6.903405
  Mo     -1.967640      2.549051      6.361892
  N      -2.101291      1.256325      7.881535
  C      -1.099731      1.231836      8.931519
  C      -0.564099      2.635024      9.138106
  N      -0.417431      3.314850      7.819990
  C      -0.754015      4.768358      7.882796
  C      -2.254709      4.934781      8.014114
  C       0.932315      3.056291      7.241638
  C       0.887826      3.114178      5.710231
  N      -0.349918      2.526224      5.294112
  H      -2.509890      6.011812      8.042570
  H      -2.596819      4.505115      8.979724
  H      -0.424766      5.193806      6.923185
  H      -0.196889      5.266320      8.695886
  H       1.752392      2.554559      5.310536
  H       0.988197      4.157315      5.353722
  H       1.210753      2.039796      7.553250
  H       1.661676      3.762742      7.676191
  H      -1.537424      0.879454      9.884726
  H      -0.292994      0.512272      8.677239
  H      -1.271741      3.219111      9.738367
  H       0.405618      2.640801      9.662924
  C      -4.333845      4.051409      7.106424
  C      -4.980815      3.140445      6.109638
  C      -5.998784      3.571421      5.338234
  C      -6.768347      2.786026      4.384160
  N      -6.181496      1.718349      3.834725
  C      -6.888787      1.032750      2.910659
  N      -8.101505      1.298166      2.460498
  C      -8.735792      2.367149      3.027057
  C     -10.060305      2.677412      2.627906
  C     -10.742648      3.714774      3.227238
  C     -10.129317      4.483231      4.245044
  C      -8.835110      4.212715      4.638348
  C      -8.105955      3.163873      4.033295
  C      -0.477181      1.360486      4.403966
  C      -1.552243      0.492163      5.021111
  C      -2.511591     -0.330657      4.376899
  C      -3.106721     -0.266098      3.106168
  N      -2.981279      0.856244      2.335534
  C      -3.655854      0.911676      1.181503
  N      -4.468608      0.013369      0.646243
  C      -4.577822     -1.166656      1.349925
  C      -5.390629     -2.195511      0.819373
  C      -5.501417     -3.416106      1.460768
  C      -4.789420     -3.648540      2.651628
  C      -3.999861     -2.645899      3.195981
  C      -3.895197     -1.380518      2.583213
  C      -3.055949      0.143290      7.942505
  C      -4.184003      0.560755      8.831679
  C      -5.512492      0.603961      8.563572
  C      -6.193487      0.073502      7.391256
  N      -5.584183     -0.868311      6.656134
  C      -6.275577     -1.411349      5.628894
  N      -7.527074     -1.181327      5.286449
  C      -8.161192     -0.195675      5.987255
  C      -9.484640      0.151571      5.620286
  C     -10.135143      1.189520      6.251839
  C      -9.482891      1.924823      7.266934
  C      -8.198845      1.595882      7.655978
  C      -7.516135      0.517980      7.043387
  H      -4.839505      5.036788      7.126412
  H      -4.475651      3.581500      8.107584
  H      -4.564631      2.116537      6.073151
  H      -6.298945      4.610299      5.501029
  H      -6.396112      0.164379      2.473413
  H     -10.515744      2.060375      1.852216
  H     -11.765574      3.942370      2.922763
  H     -10.687845      5.289078      4.723022
  H      -8.384160      4.800235      5.438869
  H       0.484546      0.806174      4.406209
  H      -0.697707      1.662670      3.371356
  H      -1.189366      0.060110      5.958151
  H      -2.844047     -1.161558      5.000519
  H      -3.523386      1.829417      0.598919
  H      -5.916555     -1.990860     -0.114650
  H      -6.129949     -4.201997      1.038540
  H      -4.860138     -4.616014      3.151350
  H      -3.453088     -2.854475      4.116804
  H      -2.558693     -0.770423      8.328953
  H      -3.424474     -0.105087      6.940330
  H      -3.878254      0.994749      9.790240
  H      -6.143851      1.089308      9.309685
  H      -5.720547     -2.138157      5.031027
  H      -9.944369     -0.404951      4.802911
  H     -11.144843      1.467075      5.946569
  H      -9.993468      2.766191      7.737300
  H      -7.701699      2.191847      8.421486
  N      -2.873823      3.105969      4.272593
  H      -3.782697      3.575068      4.222494
  H      -2.917595      2.342385      3.555165
  H      -2.204162      3.773006      3.873419
93
Coordinates from ORCA-job orca E -6201.271455776344
  N      -2.875269      4.246092      6.902400
  Mo     -1.954585      2.555183      6.355684
  N      -2.115211      1.261120      7.869672
  C      -1.112962      1.220859      8.918503
  C      -0.563954      2.618815      9.134852
  N      -0.404752      3.301986      7.820570
  C      -0.730280      4.758263      7.883370
  C      -2.229606      4.940552      8.007620
  C       0.942808      3.031926      7.245214
  C       0.904303      3.118941      5.716115
  N      -0.338343      2.551460      5.281555
  H      -2.472113      6.020764      8.028666
  H      -2.577247      4.522410      8.976652
  H      -0.387877      5.183317      6.928297
  H      -0.177124      5.249730      8.703297
  H       1.765212      2.559992      5.308005
  H       1.014522      4.167987      5.381203
  H       1.202806      2.005896      7.541095
  H       1.682591      3.719583      7.692770
  H      -1.553129      0.865637      9.869525
  H      -0.311888      0.497138      8.658669
  H      -1.268491      3.208021      9.733897
  H       0.402900      2.610150      9.664889
  C      -4.321676      4.065968      7.107613
  C      -4.980139      3.144055      6.125680
  C      -5.983367      3.577608      5.335944
  C      -6.754774      2.784524      4.388884
  N      -6.165928      1.713169      3.848422
  C      -6.868764      1.021571      2.925417
  N      -8.081042      1.281252      2.471545
  C      -8.718851      2.352097      3.031431
  C     -10.043815      2.655882      2.628767
  C     -10.729512      3.695973      3.219167
  C     -10.119542      4.474059      4.231526
  C      -8.825076      4.209767      4.628643
  C      -8.092501      3.157947      4.032864
  C      -0.462182      1.393274      4.378458
  C      -1.521493      0.509421      4.998595
  C      -2.481772     -0.320491      4.367707
  C      -3.093843     -0.256019      3.104095
  N      -2.981488      0.867894      2.333319
  C      -3.671944      0.921087      1.188688
  N      -4.492049      0.022303      0.665517
  C      -4.591428     -1.156542      1.371611
  C      -5.414000     -2.184940      0.854712
  C      -5.515074     -3.404906      1.497985
  C      -4.784404     -3.637646      2.677809
  C      -3.985946     -2.635609      3.209600
  C      -3.889617     -1.370721      2.593983
  C      -3.078302      0.156051      7.920641
  C      -4.205399      0.575187      8.810708
  C      -5.535013      0.607964      8.551266
  C      -6.219064      0.071105      7.383056
  N      -5.604761     -0.865357      6.645259
  C      -6.294413     -1.410158      5.617772
  N      -7.546913     -1.184682      5.276864
  C      -8.186362     -0.205000      5.981536
  C      -9.511349      0.137694      5.615427
  C     -10.167288      1.168799      6.252428
  C      -9.520239      1.900669      7.273377
  C      -8.234893      1.576627      7.661230
  C      -7.545407      0.507297      7.041063
  H      -4.823374      5.053257      7.115515
  H      -4.462877      3.612258      8.116241
  H      -4.587494      2.111928      6.112964
  H      -6.268848      4.624329      5.473391
  H      -6.370472      0.154501      2.491230
  H     -10.496734      2.031908      1.857149
  H     -11.752445      3.918926      2.911251
  H     -10.680672      5.282646      4.701804
  H      -8.376227      4.804461      5.425212
  H       0.505373      0.849825      4.355482
  H      -0.700985      1.711886      3.355582
  H      -1.149158      0.087144      5.937721
  H      -2.804525     -1.151682      4.995956
  H      -3.546948      1.837298      0.602127
  H      -5.954957     -1.980230     -0.070683
  H      -6.151188     -4.190311      1.086314
  H      -4.847173     -4.605329      3.178164
  H      -3.426282     -2.843624      4.122691
  H      -2.591210     -0.764392      8.304535
  H      -3.444137     -0.085346      6.915753
  H      -3.895203      1.014745      9.765311
  H      -6.166306      1.090482      9.299192
  H      -5.736323     -2.133864      5.018222
  H      -9.968410     -0.416854      4.795207
  H     -11.178283      1.442846      5.948380
  H     -10.036585      2.735406      7.749233
  H      -7.741833      2.168929      8.432074
  N      -2.874898      3.097879      4.280045
  H      -3.789766      3.556694      4.254352
  H      -2.908015      2.356266      3.542414
  H      -2.215126      3.792733      3.913233
93
Coordinates from ORCA-job orca E -6201.272788264306
  N      -2.873718      4.248732      6.910228
  Mo     -1.953276      2.560621      6.352536
  N      -2.128373      1.261117      7.856839
  C      -1.121598      1.205377      8.900979
  C      -0.563434      2.600055      9.126920
  N      -0.399742      3.289431      7.816514
  C      -0.717971      4.747053      7.884034
  C      -2.215483      4.940195      8.010007
  C       0.943450      3.013143      7.237213
  C       0.904516      3.133118      5.710749
  N      -0.343068      2.583491      5.263050
  H      -2.447806      6.022754      8.027531
  H      -2.563637      4.530855      8.983039
  H      -0.370298      5.174858      6.932243
  H      -0.164999      5.231474      8.708453
  H       1.761366      2.576956      5.290576
  H       1.021142      4.188209      5.398417
  H       1.187870      1.977465      7.512076
  H       1.693902      3.681193      7.697233
  H      -1.559600      0.844567      9.850883
  H      -0.325227      0.480501      8.631024
  H      -1.264613      3.190854      9.728503
  H       0.402652      2.580023      9.658086
  C      -4.321130      4.076525      7.120653
  C      -4.990758      3.146627      6.152517
  C      -5.979024      3.585364      5.346395
  C      -6.757310      2.792598      4.403771
  N      -6.176268      1.713241      3.871572
  C      -6.881661      1.022134      2.950270
  N      -8.092654      1.285080      2.495218
  C      -8.724017      2.362520      3.049843
  C     -10.047993      2.670377      2.646689
  C     -10.727205      3.719065      3.228768
  C     -10.111955      4.502711      4.233507
  C      -8.818658      4.234081      4.631916
  C      -8.092699      3.172701      4.044962
  C      -0.460648      1.430063      4.351701
  C      -1.494457      0.524045      4.980103
  C      -2.449337     -0.320532      4.365416
  C      -3.083788     -0.259455      3.110979
  N      -3.002234      0.870258      2.344541
  C      -3.707632      0.913190      1.208475
  N      -4.516124      0.000211      0.691426
  C      -4.586809     -1.181076      1.395882
  C      -5.398211     -2.222365      0.886338
  C      -5.471286     -3.444653      1.527951
  C      -4.723653     -3.667336      2.699399
  C      -3.936176     -2.653461      3.224353
  C      -3.867417     -1.385964      2.609511
  C      -3.095946      0.160345      7.896439
  C      -4.222465      0.574424      8.789429
  C      -5.552620      0.600173      8.535917
  C      -6.237958      0.064712      7.367386
  N      -5.623477     -0.870354      6.627998
  C      -6.310784     -1.409090      5.596200
  N      -7.561046     -1.177090      5.250951
  C      -8.200453     -0.199299      5.958365
  C      -9.522086      0.151441      5.586888
  C     -10.177109      1.181273      6.226532
  C      -9.533841      1.902713      7.257344
  C      -8.252266      1.571212      7.650296
  C      -7.562571      0.504726      7.025352
  H      -4.819088      5.065493      7.118697
  H      -4.458863      3.637220      8.135873
  H      -4.622113      2.106105      6.162871
  H      -6.246169      4.639595      5.463171
  H      -6.385355      0.153265      2.517367
  H     -10.505227      2.042838      1.880491
  H     -11.749008      3.945346      2.919441
  H     -10.667888      5.319058      4.696522
  H      -8.365286      4.832803      5.423027
  H       0.515351      0.903297      4.305549
  H      -0.720816      1.757550      3.337275
  H      -1.107025      0.116764      5.920897
  H      -2.752216     -1.155811      4.998021
  H      -3.608513      1.833233      0.623080
  H      -5.953452     -2.024885     -0.032160
  H      -6.099018     -4.239835      1.122204
  H      -4.764496     -4.637043      3.198075
  H      -3.364362     -2.853867      4.131513
  H      -2.615137     -0.766410      8.273354
  H      -3.459757     -0.071369      6.888496
  H      -3.908980      1.016154      9.741981
  H      -6.184025      1.079362      9.285729
  H      -5.751730     -2.131062      4.994786
  H      -9.977265     -0.396120      4.760919
  H     -11.185213      1.461546      5.918635
  H     -10.050407      2.735358      7.736598
  H      -7.762215      2.155188      8.429206
  N      -2.894979      3.083184      4.293373
  H      -3.818340      3.525157      4.291339
  H      -2.917258      2.358472      3.541189
  H      -2.249879      3.803946      3.951287
93
Coordinates from ORCA-job orca E -6201.274098494253
  N      -2.863613      4.257693      6.921973
  Mo     -1.951683      2.571860      6.346119
  N      -2.142289      1.265678      7.840047
  C      -1.132402      1.193509      8.880039
  C      -0.563674      2.583479      9.116581
  N      -0.391365      3.277582      7.810458
  C      -0.694762      4.737984      7.883528
  C      -2.189527      4.950123      8.010499
  C       0.946598      2.987937      7.229196
  C       0.909019      3.138227      5.706225
  N      -0.343844      2.609058      5.244086
  H      -2.405267      6.036438      8.016276
  H      -2.540668      4.559440      8.990493
  H      -0.339112      5.167664      6.935777
  H      -0.139951      5.211714      8.713096
  H       1.761663      2.584007      5.275294
  H       1.033837      4.198429      5.415918
  H       1.169701      1.942401      7.484244
  H       1.710182      3.632669      7.701367
  H      -1.569166      0.827412      9.828473
  H      -0.341308      0.466724      8.600414
  H      -1.261864      3.177351      9.718770
  H       0.400189      2.550556      9.651306
  C      -4.312576      4.104523      7.136366
  C      -4.996776      3.168659      6.182509
  C      -5.973878      3.605625      5.362000
  C      -6.750161      2.803458      4.424883
  N      -6.164668      1.719425      3.906985
  C      -6.860896      1.019762      2.985188
  N      -8.069648      1.275720      2.520260
  C      -8.706943      2.356264      3.062815
  C     -10.029638      2.656331      2.649613
  C     -10.714865      3.709387      3.216294
  C     -10.107237      4.506141      4.215247
  C      -8.815502      4.244947      4.624089
  C      -8.083871      3.178369      4.053998
  C      -0.453468      1.453656      4.333408
  C      -1.469458      0.531389      4.963990
  C      -2.421410     -0.320115      4.361215
  C      -3.071663     -0.258265      3.112978
  N      -3.006654      0.875751      2.351674
  C      -3.725406      0.918027      1.224039
  N      -4.535424      0.002346      0.713828
  C      -4.594838     -1.179655      1.417418
  C      -5.412492     -2.221180      0.917784
  C      -5.476674     -3.443441      1.559627
  C      -4.714031     -3.666352      2.721734
  C      -3.920042     -2.653043      3.237090
  C      -3.858875     -1.385335      2.621114
  C      -3.115569      0.170212      7.871786
  C      -4.239922      0.581261      8.768571
  C      -5.571124      0.595825      8.523451
  C      -6.256994      0.056162      7.357346
  N      -5.637114     -0.874652      6.616668
  C      -6.319542     -1.413478      5.582489
  N      -7.570147     -1.185170      5.235089
  C      -8.215414     -0.213038      5.945099
  C      -9.537178      0.135121      5.570676
  C     -10.197766      1.159965      6.212394
  C      -9.561543      1.877755      7.250287
  C      -8.280389      1.549116      7.646114
  C      -7.583640      0.489664      7.016897
  H      -4.800233      5.098402      7.118638
  H      -4.452300      3.685148      8.159548
  H      -4.653032      2.121978      6.213993
  H      -6.229167      4.665399      5.454894
  H      -6.357482      0.149871      2.560908
  H     -10.480960      2.019594      1.887489
  H     -11.735353      3.929710      2.898415
  H     -10.667384      5.327054      4.664931
  H      -8.367544      4.853957      5.410558
  H       0.529183      0.940740      4.274359
  H      -0.727258      1.782872      3.323424
  H      -1.079994      0.140607      5.911755
  H      -2.717601     -1.154682      4.997773
  H      -3.638975      1.840561      0.640373
  H      -5.980141     -2.023134      0.007030
  H      -6.109497     -4.238725      1.162094
  H      -4.748315     -4.636407      3.220176
  H      -3.337521     -2.854245      4.137063
  H      -2.640688     -0.761905      8.243224
  H      -3.478860     -0.054434      6.861820
  H      -3.922162      1.027892      9.717427
  H      -6.202761      1.071872      9.274943
  H      -5.755483     -2.131469      4.980169
  H      -9.988133     -0.410376      4.741012
  H     -11.205769      1.438153      5.902340
  H     -10.083550      2.705185      7.732637
  H      -7.796332      2.129662      8.431203
  N      -2.902225      3.079320      4.300537
  H      -3.834823      3.500893      4.316076
  H      -2.909424      2.370632      3.534646
  H      -2.271876      3.824516      3.984547
93
Coordinates from ORCA-job orca E -6201.275340918064
  N      -2.863695      4.260943      6.936559
  Mo     -1.956532      2.579261      6.344520
  N      -2.155220      1.269702      7.830068
  C      -1.140735      1.185920      8.865778
  C      -0.564401      2.572886      9.106139
  N      -0.388796      3.269463      7.801321
  C      -0.681815      4.731253      7.879753
  C      -2.174201      4.956242      8.013110
  C       0.943091      2.969951      7.213710
  C       0.902835      3.147597      5.694374
  N      -0.354721      2.634287      5.222794
  H      -2.377610      6.045081      8.008003
  H      -2.523821      4.582793      9.000658
  H      -0.324688      5.163213      6.933881
  H      -0.123079      5.196904      8.711394
  H       1.751711      2.596692      5.252048
  H       1.032419      4.212056      5.423405
  H       1.147694      1.915958      7.448706
  H       1.719012      3.592996      7.695295
  H      -1.574248      0.816956      9.814518
  H      -0.354107      0.457969      8.577669
  H      -1.260592      3.168968      9.708573
  H       0.398604      2.532638      9.642030
  C      -4.313688      4.126925      7.154252
  C      -5.008292      3.182704      6.215875
  C      -5.972221      3.617822      5.378347
  C      -6.748019      2.813697      4.441821
  N      -6.164893      1.724091      3.934093
  C      -6.857343      1.024154      3.009786
  N      -8.062657      1.280966      2.536905
  C      -8.698869      2.365245      3.072205
  C     -10.019570      2.665516      2.652720
  C     -10.704645      3.723673      3.209429
  C     -10.098803      4.526782      4.204242
  C      -8.809139      4.265266      4.619803
  C      -8.078199      3.192165      4.061259
  C      -0.455463      1.474421      4.316128
  C      -1.448599      0.533198      4.951409
  C      -2.393940     -0.326897      4.359316
  C      -3.058856     -0.263929      3.116121
  N      -3.013934      0.875533      2.362011
  C      -3.740709      0.913805      1.239014
  N      -4.541834     -0.010381      0.729500
  C      -4.584928     -1.194261      1.430253
  C      -5.397194     -2.241919      0.934062
  C      -5.447024     -3.465278      1.574217
  C      -4.675079     -3.683735      2.731435
  C      -3.885891     -2.665472      3.243377
  C      -3.838642     -1.396280      2.628325
  C      -3.130143      0.175858      7.851464
  C      -4.252848      0.576567      8.754607
  C      -5.585211      0.581088      8.517305
  C      -6.272716      0.043910      7.351094
  N      -5.653431     -0.883914      6.605850
  C      -6.334618     -1.414661      5.567574
  N      -7.584921     -1.182395      5.219703
  C      -8.229817     -0.214615      5.935770
  C      -9.549903      0.139962      5.560358
  C     -10.208910      1.162885      6.206365
  C      -9.574269      1.870919      7.252034
  C      -8.295492      1.535752      7.649291
  C      -7.598969      0.480037      7.013517
  H      -4.791939      5.124798      7.118014
  H      -4.455567      3.729131      8.185336
  H      -4.688640      2.130237      6.272371
  H      -6.212979      4.682811      5.449540
  H      -6.353046      0.153255      2.589918
  H     -10.469557      2.024809      1.893185
  H     -11.723351      3.943897      2.885974
  H     -10.658106      5.353184      4.644700
  H      -8.362129      4.879321      5.402910
  H       0.534761      0.977386      4.247665
  H      -0.742560      1.798896      3.308427
  H      -1.055856      0.161504      5.906059
  H      -2.680317     -1.163334      4.997669
  H      -3.672243      1.840707      0.659665
  H      -5.972795     -2.046698      0.027783
  H      -6.075897     -4.265239      1.180010
  H      -4.698796     -4.654739      3.228468
  H      -3.296851     -2.864204      4.139613
  H      -2.657391     -0.761548      8.212338
  H      -3.493162     -0.037976      6.838730
  H      -3.931764      1.023828      9.701976
  H      -6.216583      1.050799      9.272812
  H      -5.769322     -2.127012      4.959377
  H     -10.000536     -0.398849      4.726196
  H     -11.215101      1.446253      5.895333
  H     -10.095759      2.695665      7.739343
  H      -7.813530      2.108348      8.441295
  N      -2.927386      3.060703      4.314955
  H      -3.871913      3.453866      4.346815
  H      -2.918982      2.360225      3.543050
  H      -2.318525      3.828751      4.012518
93
Coordinates from ORCA-job orca E -6201.276509483137
  N      -2.858101      4.273460      6.957129
  Mo     -1.965989      2.594833      6.340391
  N      -2.169258      1.275794      7.814769
  C      -1.150518      1.177721      8.844649
  C      -0.565923      2.560378      9.093847
  N      -0.386156      3.261470      7.792788
  C      -0.661857      4.725699      7.879554
  C      -2.150532      4.970515      8.019407
  C       0.938167      2.947356      7.198318
  C       0.894680      3.151585      5.683079
  N      -0.368412      2.657289      5.201823
  H      -2.336644      6.062549      8.000940
  H      -2.500069      4.618050      9.014836
  H      -0.301036      5.160163      6.936525
  H      -0.096789      5.178995      8.713880
  H       1.738859      2.603693      5.228419
  H       1.030574      4.219888      5.431960
  H       1.121333      1.885255      7.414035
  H       1.728017      3.546331      7.688137
  H      -1.580615      0.803164      9.792727
  H      -0.368894      0.448708      8.546040
  H      -1.258856      3.158195      9.698407
  H       0.396096      2.509920      9.630867
  C      -4.308440      4.166994      7.180813
  C      -5.019991      3.221457      6.256159
  C      -5.974118      3.654413      5.406617
  C      -6.743573      2.839985      4.473219
  N      -6.153365      1.745842      3.983214
  C      -6.832801      1.035426      3.057251
  N      -8.033526      1.284882      2.568634
  C      -8.677995      2.372774      3.087310
  C      -9.995439      2.664453      2.651808
  C     -10.689209      3.726612      3.189597
  C     -10.095663      4.543109      4.180883
  C      -8.809556      4.289796      4.612642
  C      -8.070370      3.211980      4.074744
  C      -0.463191      1.490286      4.302680
  C      -1.435898      0.530765      4.939269
  C      -2.375563     -0.335523      4.355539
  C      -3.053564     -0.272660      3.117171
  N      -3.026511      0.871600      2.370573
  C      -3.762931      0.909231      1.253892
  N      -4.559695     -0.019988      0.746398
  C      -4.589405     -1.206047      1.443749
  C      -5.401655     -2.256335      0.952808
  C      -5.440651     -3.480688      1.591356
  C      -4.657624     -3.697718      2.741719
  C      -3.867790     -2.677683      3.248413
  C      -3.830457     -1.407488      2.634236
  C      -3.145032      0.182839      7.829786
  C      -4.264362      0.572745      8.741397
  C      -5.597815      0.565313      8.512837
  C      -6.284001      0.027497      7.346636
  N      -5.659183     -0.895736      6.599850
  C      -6.333863     -1.424105      5.557045
  N      -7.583635     -1.193757      5.204728
  C      -8.234212     -0.231528      5.922998
  C      -9.552425      0.124062      5.541194
  C     -10.216092      1.143731      6.187355
  C      -9.589618      1.846108      7.241913
  C      -8.313270      1.510061      7.645602
  C      -7.610693      0.459764      7.007493
  H      -4.771184      5.171508      7.128009
  H      -4.453353      3.790082      8.219132
  H      -4.724967      2.164958      6.329984
  H      -6.204972      4.723047      5.456257
  H      -6.320832      0.161393      2.651335
  H     -10.435945      2.014166      1.894880
  H     -11.705201      3.940027      2.853378
  H     -10.661164      5.373644      4.605286
  H      -8.371595      4.914712      5.392323
  H       0.533683      1.008166      4.226251
  H      -0.762760      1.808305      3.296525
  H      -1.044573      0.175335      5.900928
  H      -2.655466     -1.172690      4.995688
  H      -3.709761      1.840758      0.680149
  H      -5.986614     -2.061508      0.052503
  H      -6.069862     -4.282700      1.202008
  H      -4.673711     -4.669488      3.237477
  H      -3.271090     -2.876105      4.139470
  H      -2.671790     -0.758302      8.180458
  H      -3.510164     -0.022818      6.815917
  H      -3.939543      1.021395      9.686773
  H      -6.229745      1.028160      9.272019
  H      -5.763094     -2.131639      4.947752
  H      -9.997670     -0.411036      4.701772
  H     -11.220353      1.428016      5.871024
  H     -10.115501      2.667020      7.730897
  H      -7.838032      2.078030      8.444887
  N      -2.944453      3.057631      4.321776
  H      -3.899739      3.422836      4.362826
  H      -2.918492      2.365246      3.543876
  H      -2.355350      3.846079      4.033574
93
Coordinates from ORCA-job orca E -6201.277652248741
  N      -2.858158      4.280201      6.977734
  Mo     -1.976885      2.606296      6.339081
  N      -2.180880      1.282071      7.805510
  C      -1.158130      1.175098      8.831407
  C      -0.567500      2.554821      9.082698
  N      -0.386244      3.257566      7.782518
  C      -0.648261      4.723276      7.875848
  C      -2.133880      4.982723      8.024412
  C       0.930803      2.931826      7.179517
  C       0.882298      3.157309      5.668179
  N      -0.385033      2.676154      5.180818
  H      -2.307287      6.076687      7.991496
  H      -2.479934      4.650913      9.028208
  H      -0.287490      5.159748      6.934001
  H      -0.076441      5.167377      8.710634
  H       1.723266      2.613982      5.202387
  H       1.020680      4.228694      5.433012
  H       1.096077      1.863477      7.378612
  H       1.732682      3.510399      7.674559
  H      -1.584697      0.798374      9.780182
  H      -0.380516      0.444826      8.525764
  H      -1.258958      3.154103      9.687533
  H       0.394054      2.499379      9.620269
  C      -4.308564      4.200624      7.205504
  C      -5.032127      3.249304      6.296419
  C      -5.976454      3.676902      5.432554
  C      -6.738749      2.856694      4.497981
  N      -6.144003      1.759845      4.019761
  C      -6.813030      1.046142      3.088697
  N      -8.008372      1.292926      2.585899
  C      -8.658207      2.382185      3.093947
  C      -9.971621      2.670574      2.644364
  C     -10.671225      3.735422      3.168905
  C     -10.087499      4.558853      4.160224
  C      -8.805454      4.308630      4.606097
  C      -8.061021      3.227149      4.083150
  C      -0.472063      1.499238      4.292527
  C      -1.423743      0.522503      4.931401
  C      -2.357609     -0.347651      4.353595
  C      -3.044346     -0.282400      3.117364
  N      -3.029689      0.866496      2.378721
  C      -3.771004      0.905200      1.264941
  N      -4.562944     -0.027601      0.756018
  C      -4.584367     -1.215717      1.449615
  C      -5.396120     -2.267225      0.960263
  C      -5.428734     -3.492694      1.596633
  C      -4.639486     -3.709975      2.743054
  C      -3.849456     -2.689631      3.248051
  C      -3.818036     -1.418089      2.635581
  C      -3.156156      0.188839      7.812825
  C      -4.272332      0.565481      8.733570
  C      -5.606945      0.547046      8.513194
  C      -6.293239      0.010825      7.346616
  N      -5.667368     -0.909617      6.596955
  C      -6.339841     -1.432944      5.550876
  N      -7.589546     -1.201190      5.197214
  C      -8.241237     -0.242531      5.919039
  C      -9.558043      0.116903      5.535275
  C     -10.221666      1.135263      6.183383
  C      -9.597809      1.831142      7.243919
  C      -8.323497      1.490789      7.650135
  C      -7.619878      0.443427      7.008345
  H      -4.757206      5.210340      7.132361
  H      -4.457500      3.847113      8.251167
  H      -4.758077      2.189789      6.391262
  H      -6.198181      4.748334      5.462177
  H      -6.296216      0.171627      2.690870
  H     -10.404426      2.015767      1.886918
  H     -11.684030      3.946013      2.821578
  H     -10.656798      5.392612      4.572985
  H      -8.374589      4.939492      5.384987
  H       0.531511      1.031895      4.212740
  H      -0.781383      1.805456      3.285645
  H      -1.035842      0.184310      5.900711
  H      -2.633965     -1.185843      4.993818
  H      -3.729005      1.841221      0.697273
  H      -5.986377     -2.071641      0.063663
  H      -6.057815     -4.295709      1.209307
  H      -4.651466     -4.682642      3.237052
  H      -3.248403     -2.889103      4.135944
  H      -2.681319     -0.756237      8.150793
  H      -3.523701     -0.006099      6.797407
  H      -3.944301      1.013304      9.678159
  H      -6.238944      1.001758      9.277187
  H      -5.767208     -2.135970      4.937896
  H     -10.001874     -0.413727      4.692296
  H     -11.224239      1.423029      5.864928
  H     -10.124130      2.650018      7.735743
  H      -7.850988      2.053256      8.454836
  N      -2.972356      3.043179      4.333285
  H      -3.940468      3.371772      4.382872
  H      -2.926312      2.354688      3.553710
  H      -2.410880      3.853269      4.050627
93
Coordinates from ORCA-job orca E -6201.278733577857
  N      -2.856358      4.293056      6.999647
  Mo     -1.991352      2.622163      6.338358
  N      -2.192757      1.290046      7.795812
  C      -1.167142      1.174299      8.817871
  C      -0.571135      2.551222      9.072925
  N      -0.388315      3.255464      7.774240
  C      -0.633268      4.723060      7.873743
  C      -2.115075      5.000185      8.030437
  C       0.920862      2.915670      7.162745
  C       0.867202      3.159780      5.654974
  N      -0.404550      2.692230      5.162006
  H      -2.274355      6.095891      7.982240
  H      -2.458143      4.689964      9.042106
  H      -0.271511      5.160437      6.932967
  H      -0.053629      5.156968      8.708590
  H       1.704655      2.620550      5.178415
  H       1.008557      4.233680      5.434482
  H       1.068024      1.842040      7.347638
  H       1.734766      3.474251      7.661277
  H      -1.590833      0.794730      9.766772
  H      -0.393221      0.442846      8.505783
  H      -1.260851      3.151769      9.678522
  H       0.389915      2.490446      9.611000
  C      -4.306120      4.244849      7.232763
  C      -5.044680      3.290739      6.339248
  C      -5.980085      3.713207      5.462781
  C      -6.734741      2.883942      4.529717
  N      -6.133585      1.784161      4.065790
  C      -6.789943      1.064289      3.130440
  N      -7.979397      1.306451      2.611602
  C      -8.636722      2.397403      3.106068
  C      -9.945694      2.680090      2.640359
  C     -10.653116      3.747130      3.149667
  C     -10.081766      4.578981      4.141102
  C      -8.804272      4.334143      4.603078
  C      -8.052548      3.249798      4.096960
  C      -0.486750      1.505669      4.284145
  C      -1.417004      0.510774      4.923765
  C      -2.345877     -0.362158      4.350954
  C      -3.041344     -0.296004      3.117146
  N      -3.039817      0.856761      2.385866
  C      -3.786800      0.896198      1.275678
  N      -4.573657     -0.040531      0.765901
  C      -4.585350     -1.230835      1.455540
  C      -5.395747     -2.284303      0.968211
  C      -5.420455     -3.510923      1.602526
  C      -4.624364     -3.727502      2.744596
  C      -3.834997     -2.705909      3.247495
  C      -3.811005     -1.433217      2.636677
  C      -3.165123      0.194345      7.795550
  C      -4.278568      0.554361      8.725996
  C      -5.613978      0.523538      8.512784
  C      -6.297937     -0.010476      7.344222
  N      -5.668027     -0.926397      6.592228
  C      -6.335669     -1.445615      5.541581
  N      -7.584634     -1.213689      5.184009
  C      -8.240188     -0.259666      5.908321
  C      -9.554611      0.103066      5.519162
  C     -10.220732      1.119115      6.168270
  C      -9.602914      1.808204      7.236826
  C      -8.331313      1.464469      7.648462
  C      -7.624265      0.420991      7.004176
  H      -4.737486      5.260556      7.139937
  H      -4.458905      3.914949      8.285309
  H      -4.791739      2.228931      6.452946
  H      -6.193650      4.786789      5.471904
  H      -6.266890      0.188195      2.743793
  H     -10.368888      2.019380      1.882657
  H     -11.662456      3.953124      2.789847
  H     -10.656592      5.415162      4.540999
  H      -8.382583      4.971963      5.381328
  H       0.522911      1.052777      4.199788
  H      -0.806422      1.800642      3.277042
  H      -1.032358      0.186309      5.898823
  H      -2.617922     -1.202032      4.990778
  H      -3.756778      1.836811      0.714662
  H      -5.991894     -2.088664      0.075613
  H      -6.048804     -4.315559      1.217551
  H      -4.631080     -4.700988      3.236973
  H      -3.229078     -2.905224      4.132038
  H      -2.685899     -0.753418      8.119819
  H      -3.535405      0.009636      6.779007
  H      -3.948631      1.000129      9.670799
  H      -6.247335      0.967896      9.281729
  H      -5.759521     -2.144343      4.926728
  H      -9.994318     -0.422764      4.671059
  H     -11.220946      1.409854      5.845181
  H     -10.131563      2.624410      7.730498
  H      -7.863557      2.021683      8.459534
  N      -2.997331      3.032598      4.341070
  H      -3.977171      3.323359      4.394186
  H      -2.929349      2.346559      3.561449
  H      -2.464453      3.862787      4.061933
93
Coordinates from ORCA-job orca E -6201.279798469696
  N      -2.854262      4.306802      7.020419
  Mo     -2.006337      2.638381      6.337936
  N      -2.204860      1.299940      7.787598
  C      -1.177972      1.177705      8.808214
  C      -0.576550      2.551778      9.064102
  N      -0.391446      3.255569      7.765646
  C      -0.618403      4.725009      7.870315
  C      -2.096468      5.019609      8.034827
  C       0.910050      2.901543      7.145914
  C       0.851426      3.160094      5.641269
  N      -0.424036      2.703420      5.143969
  H      -2.242795      6.116394      7.970275
  H      -2.435910      4.731342      9.054104
  H      -0.255799      5.162575      6.930207
  H      -0.030804      5.149300      8.704619
  H       1.686174      2.625076      5.155490
  H       0.994391      4.235951      5.432552
  H       1.040725      1.823822      7.319577
  H       1.734927      3.442418      7.646024
  H      -1.600322      0.797614      9.757484
  H      -0.407382      0.444104      8.492882
  H      -1.265507      3.154177      9.668769
  H       0.383640      2.487385      9.603473
  C      -4.303151      4.292813      7.257289
  C      -5.055539      3.334152      6.380840
  C      -5.982796      3.748369      5.490956
  C      -6.730007      2.909990      4.559714
  N      -6.122979      1.808459      4.106545
  C      -6.767430      1.085709      3.164962
  N      -7.950824      1.325157      2.631135
  C      -8.615471      2.415618      3.116189
  C      -9.919899      2.694373      2.635851
  C     -10.634783      3.761648      3.134319
  C     -10.075387      4.597973      4.128704
  C      -8.802294      4.356942      4.605043
  C      -8.043638      3.271820      4.111106
  C      -0.500652      1.505852      4.278273
  C      -1.409686      0.493881      4.918907
  C      -2.335410     -0.379368      4.350679
  C      -3.037718     -0.311426      3.118156
  N      -3.046348      0.844913      2.394255
  C      -3.797221      0.886280      1.286337
  N      -4.579317     -0.053367      0.774348
  C      -4.583646     -1.245968      1.459589
  C      -5.392319     -2.300739      0.972359
  C      -5.410659     -3.528857      1.603985
  C      -4.609641     -3.745766      2.742786
  C      -3.821327     -2.723527      3.245514
  C      -3.803453     -1.449275      2.637209
  C      -3.173417      0.200973      7.778378
  C      -4.284541      0.541621      8.718686
  C      -5.620471      0.498097      8.511491
  C      -6.301819     -0.032819      7.340232
  N      -5.668677     -0.943905      6.585093
  C      -6.333301     -1.458999      5.530763
  N      -7.582194     -1.227197      5.171187
  C      -8.240813     -0.277819      5.898766
  C      -9.553843      0.087301      5.507019
  C     -10.221609      1.100778      6.158569
  C      -9.607710      1.783767      7.233322
  C      -8.337785      1.437188      7.647796
  C      -7.628400      0.397478      6.999989
  H      -4.715984      5.314010      7.141784
  H      -4.461259      3.989516      8.316748
  H      -4.822179      2.271025      6.515759
  H      -6.189518      4.823363      5.478719
  H      -6.238544      0.209877      2.785847
  H     -10.333799      2.030637      1.875695
  H     -11.640753      3.964351      2.763434
  H     -10.655527      5.434793      4.519440
  H      -8.389399      4.998525      5.384936
  H       0.514885      1.067045      4.191523
  H      -0.828895      1.787054      3.269889
  H      -1.029649      0.182692      5.899737
  H      -2.605483     -1.220394      4.989830
  H      -3.777204      1.831581      0.732638
  H      -5.992699     -2.104426      0.082826
  H      -6.037958     -4.334645      1.219832
  H      -4.612307     -4.720362      3.232929
  H      -3.211751     -2.923083      4.127488
  H      -2.688828     -0.749376      8.087015
  H      -3.546676      0.028358      6.760567
  H      -3.953648      0.983251      9.665028
  H      -6.255740      0.930057      9.285959
  H      -5.754745     -2.153105      4.912850
  H      -9.990861     -0.434008      4.654766
  H     -11.220279      1.394042      5.832957
  H     -10.137884      2.597382      7.729591
  H      -7.873014      1.989725      8.463780
  N      -3.024035      3.020876      4.348933
  H      -4.013999      3.274050      4.404931
  H      -2.936321      2.334388      3.572099
  H      -2.520651      3.868385      4.067651
93
Coordinates from ORCA-job orca E -6201.280760366215
  N      -2.851705      4.323322      7.038375
  Mo     -2.022447      2.655800      6.337901
  N      -2.216407      1.310216      7.779557
  C      -1.189831      1.182649      8.799891
  C      -0.583988      2.554442      9.057186
  N      -0.396432      3.257310      7.759121
  C      -0.604996      4.728493      7.867750
  C      -2.079115      5.040544      8.038224
  C       0.897696      2.888887      7.132268
  C       0.834890      3.158793      5.630089
  N      -0.443917      2.712133      5.128843
  H      -2.213226      6.137953      7.958536
  H      -2.415869      4.772253      9.063678
  H      -0.240666      5.165378      6.928231
  H      -0.010069      5.143672      8.701485
  H       1.667133      2.627160      5.136547
  H       0.979638      4.236071      5.431087
  H       1.013437      1.808059      7.297395
  H       1.732356      3.414115      7.632865
  H      -1.612123      0.802219      9.749025
  H      -0.421927      0.446913      8.482900
  H      -1.272308      3.158576      9.660898
  H       0.375199      2.486761      9.598061
  C      -4.298950      4.343741      7.279219
  C      -5.066433      3.381691      6.420472
  C      -5.984805      3.789397      5.517878
  C      -6.726184      2.942275      4.589698
  N      -6.114115      1.838762      4.147148
  C      -6.747287      1.113015      3.200138
  N      -7.924480      1.350396      2.651872
  C      -8.595966      2.440633      3.127724
  C      -9.896060      2.715484      2.633969
  C     -10.618150      3.782343      3.123074
  C     -10.070274      4.622208      4.120758
  C      -8.801323      4.385005      4.610183
  C      -8.035933      3.299943      4.126712
  C      -0.517282      1.505119      4.273479
  C      -1.405559      0.476776      4.914842
  C      -2.329155     -0.396448      4.351201
  C      -3.038286     -0.328283      3.120283
  N      -3.058669      0.831015      2.402979
  C      -3.814274      0.873046      1.297991
  N      -4.590642     -0.070556      0.784557
  C      -4.584936     -1.265560      1.465182
  C      -5.389699     -2.323283      0.978209
  C      -5.398620     -3.553068      1.606896
  C      -4.591787     -3.768676      2.741971
  C      -3.806721     -2.744006      3.244410
  C      -3.798147     -1.468192      2.638952
  C      -3.179173      0.206262      7.760387
  C      -4.288187      0.524827      8.710628
  C      -5.624324      0.468463      8.508440
  C      -6.302143     -0.058190      7.333537
  N      -5.665026     -0.963630      6.574940
  C      -6.325957     -1.473829      5.516101
  N      -7.574524     -1.242237      5.154143
  C      -8.236944     -0.298249      5.885291
  C      -9.548202      0.069526      5.490222
  C     -10.218028      1.080090      6.144320
  C      -9.608666      1.756579      7.225713
  C      -8.340618      1.407062      7.643522
  C      -7.628704      0.371197      6.992389
  H      -4.692496      5.369916      7.141767
  H      -4.461318      4.066910      8.345028
  H      -4.851904      2.318065      6.576809
  H      -6.183177      4.865603      5.484424
  H      -6.213513      0.236409      2.829422
  H     -10.301132      2.049148      1.871405
  H     -11.620965      3.981833      2.742177
  H     -10.655721      5.458863      4.503759
  H      -8.397009      5.029329      5.392293
  H       0.503342      1.079540      4.182550
  H      -0.854681      1.774420      3.264746
  H      -1.028621      0.175893      5.899593
  H      -2.595851     -1.239191      4.989538
  H      -3.805875      1.822849      0.751625
  H      -5.995047     -2.127604      0.092009
  H      -6.023152     -4.361310      1.223566
  H      -4.587875     -4.744458      3.229634
  H      -3.192613     -2.942145      4.123519
  H      -2.687363     -0.745862      8.051936
  H      -3.555659      0.046393      6.741562
  H      -3.957215      0.960426      9.659652
  H      -6.262045      0.885994      9.288819
  H      -5.744539     -2.162870      4.895107
  H      -9.981961     -0.446776      4.633309
  H     -11.214955      1.375972      5.815783
  H     -10.140549      2.567577      7.724349
  H      -7.878875      1.954984      8.464326
  N      -3.050177      3.006232      4.355373
  H      -4.049397      3.219853      4.411551
  H      -2.940712      2.319013      3.581919
  H      -2.578432      3.870335      4.070299
93
Coordinates from ORCA-job orca E -6201.281606493966
  N      -2.853060      4.334951      7.054757
  Mo     -2.038506      2.669605      6.337359
  N      -2.225568      1.317763      7.771936
  C      -1.199630      1.187981      8.793157
  C      -0.591394      2.558398      9.050007
  N      -0.403236      3.260514      7.751840
  C      -0.597353      4.732636      7.864861
  C      -2.068302      5.056876      8.041790
  C       0.884859      2.882382      7.117911
  C       0.816926      3.160017      5.617719
  N      -0.463695      2.717696      5.114392
  H      -2.194726      6.154250      7.949750
  H      -2.401088      4.804145      9.072312
  H      -0.233033      5.170092      6.925798
  H       0.003938      5.140330      8.697749
  H       1.648320      2.633221      5.117734
  H       0.959956      4.238621      5.425506
  H       0.991141      1.799618      7.276906
  H       1.726693      3.397034      7.617499
  H      -1.622047      0.808089      9.742426
  H      -0.433188      0.450631      8.476261
  H      -1.280174      3.163083      9.652719
  H       0.367193      2.489970      9.591961
  C      -4.297935      4.384038      7.300527
  C      -5.077684      3.419387      6.456668
  C      -5.988066      3.822214      5.543015
  C      -6.724454      2.971010      4.614559
  N      -6.109090      1.867001      4.176732
  C      -6.733247      1.143175      3.222016
  N      -7.904288      1.382663      2.661529
  C      -8.580638      2.471376      3.133668
  C      -9.876124      2.746819      2.628674
  C     -10.603343      3.812018      3.114207
  C     -10.065060      4.649503      4.118943
  C      -8.800348      4.411740      4.619307
  C      -8.030270      3.328081      4.140136
  C      -0.531200      1.501861      4.268820
  C      -1.398848      0.458182      4.911563
  C      -2.320914     -0.414980      4.352733
  C      -3.035586     -0.347621      3.122757
  N      -3.065520      0.813466      2.410259
  C      -3.824847      0.855563      1.307436
  N      -4.596123     -0.091779      0.793125
  C      -4.581844     -1.288433      1.470332
  C      -5.382436     -2.349308      0.983664
  C      -5.382819     -3.580242      1.610413
  C      -4.571364     -3.793862      2.742690
  C      -3.789823     -2.766500      3.244811
  C      -3.789781     -1.489617      2.641254
  C      -3.182940      0.209323      7.745180
  C      -4.289572      0.508400      8.704391
  C      -5.625714      0.442264      8.505683
  C      -6.300205     -0.078649      7.326536
  N      -5.660026     -0.978317      6.563786
  C      -6.318561     -1.483108      5.500817
  N      -7.567238     -1.251693      5.138043
  C      -8.232692     -0.313234      5.873668
  C      -9.543041      0.056483      5.477627
  C     -10.214231      1.063801      6.135572
  C      -9.607650      1.734203      7.222262
  C      -8.340594      1.382223      7.641233
  C      -7.627014      0.350267      6.985729
  H      -4.675907      5.413584      7.144935
  H      -4.462735      4.129596      8.371339
  H      -4.878195      2.356206      6.630525
  H      -6.179331      4.899153      5.493306
  H      -6.196440      0.266667      2.855409
  H     -10.273910      2.082268      1.860774
  H     -11.602890      4.011793      2.725027
  H     -10.654298      5.484870      4.498905
  H      -8.403068      5.054064      5.406651
  H       0.494668      1.090050      4.174715
  H      -0.876722      1.758685      3.259487
  H      -1.024331      0.166858      5.899664
  H      -2.584622     -1.258955      4.990729
  H      -3.826384      1.809025      0.767277
  H      -5.991734     -2.155005      0.099944
  H      -6.004359     -4.391086      1.227820
  H      -4.561526     -4.770445      3.228606
  H      -3.171933     -2.962295      4.121814
  H      -2.684261     -0.743968      8.021062
  H      -3.563270      0.060861      6.725929
  H      -3.958436      0.937235      9.656387
  H      -6.265688      0.846250      9.291411
  H      -5.735050     -2.166732      4.875761
  H      -9.974782     -0.454965      4.616808
  H     -11.210184      1.361838      5.805979
  H     -10.140633      2.542538      7.724012
  H      -7.880474      1.925805      8.465862
  N      -3.078750      2.988283      4.361897
  H      -4.087277      3.152811      4.418257
  H      -2.941708      2.304796      3.589449
  H      -2.647066      3.872309      4.074733
93
Coordinates from ORCA-job orca E -6201.282369532508
  N      -2.858780      4.342453      7.069633
  Mo     -2.054550      2.680681      6.336842
  N      -2.231203      1.321935      7.763835
  C      -1.206112      1.192084      8.786373
  C      -0.598375      2.562367      9.043248
  N      -0.412076      3.264959      7.745275
  C      -0.596237      4.737278      7.863539
  C      -2.065018      5.068399      8.046929
  C       0.871245      2.881791      7.104287
  C       0.797321      3.166243      5.605807
  N      -0.484000      2.724528      5.100768
  H      -2.188010      6.165394      7.946439
  H      -2.393531      4.825825      9.081069
  H      -0.233438      5.176898      6.925050
  H       0.010217      5.138931      8.695612
  H       1.629086      2.645810      5.099912
  H       0.936151      4.246313      5.419495
  H       0.972586      1.797717      7.257750
  H       1.718117      3.389511      7.602461
  H      -1.628458      0.811791      9.735454
  H      -0.439586      0.454640      8.469835
  H      -1.288482      3.165684      9.645896
  H       0.360164      2.495115      9.585475
  C      -4.300816      4.413203      7.322290
  C      -5.091092      3.447261      6.490576
  C      -5.993108      3.849039      5.567516
  C      -6.726879      2.998296      4.636729
  N      -6.111557      1.893200      4.200574
  C      -6.729362      1.174666      3.237493
  N      -7.894163      1.420480      2.666709
  C      -8.571885      2.508905      3.137560
  C      -9.862226      2.789705      2.622876
  C     -10.590952      3.854613      3.107282
  C     -10.059101      4.686251      4.120098
  C      -8.799125      4.443131      4.630072
  C      -8.027980      3.359490      4.152527
  C      -0.543838      1.501749      4.262731
  C      -1.389690      0.442415      4.907077
  C      -2.309342     -0.432679      4.353648
  C      -3.030219     -0.368736      3.125198
  N      -3.071196      0.792764      2.415321
  C      -3.837059      0.832968      1.316625
  N      -4.604435     -0.118959      0.804853
  C      -4.579210     -1.316344      1.480062
  C      -5.376245     -2.381440      0.997147
  C      -5.366063     -3.612560      1.623759
  C      -4.547383     -3.822095      2.751662
  C      -3.768752     -2.790859      3.250112
  C      -3.779185     -1.513926      2.646569
  C      -3.182155      0.208220      7.730036
  C      -4.286709      0.488421      8.697374
  C      -5.622766      0.414921      8.500643
  C      -6.293917     -0.098301      7.316386
  N      -5.651170     -0.992152      6.549176
  C      -6.307212     -1.489996      5.481266
  N      -7.555570     -1.257388      5.117325
  C      -8.223534     -0.324242      5.857610
  C      -9.532462      0.048762      5.460254
  C     -10.204282      1.053239      6.122170
  C      -9.600108      1.716744      7.214341
  C      -8.334497      1.360984      7.634781
  C      -7.620182      0.332202      6.975110
  H      -4.667454      5.444932      7.153786
  H      -4.465092      4.175816      8.396887
  H      -4.904082      2.384685      6.678312
  H      -6.176229      4.926832      5.505793
  H      -6.192057      0.297476      2.872938
  H     -10.255218      2.129575      1.848762
  H     -11.586789      4.058505      2.710852
  H     -10.649379      5.521379      4.498957
  H      -8.406500      5.080560      5.423667
  H       0.487435      1.104841      4.164802
  H      -0.897673      1.747051      3.253332
  H      -1.014974      0.159289      5.897055
  H      -2.567868     -1.277978      4.992050
  H      -3.850274      1.789198      0.781458
  H      -5.991644     -2.190206      0.117060
  H      -5.985118     -4.426816      1.244487
  H      -4.530042     -4.798695      3.237281
  H      -3.145016     -2.982350      4.123943
  H      -2.675947     -0.745401      7.990762
  H      -3.566158      0.070290      6.710527
  H      -3.955752      0.909629      9.652781
  H      -6.264977      0.805803      9.291235
  H      -5.721990     -2.168404      4.852080
  H      -9.962354     -0.457107      4.595234
  H     -11.198900      1.354447      5.791368
  H     -10.133506      2.522935      7.719074
  H      -7.875593      1.899690      8.463313
  N      -3.110573      2.964217      4.369803
  H      -4.126940      3.071249      4.426928
  H      -2.942125      2.288209      3.596871
  H      -2.727218      3.869770      4.081271
93
Coordinates from ORCA-job orca E -6201.283081763784
  N      -2.865196      4.347769      7.082525
  Mo     -2.069129      2.689678      6.335684
  N      -2.235516      1.324354      7.755466
  C      -1.211359      1.195100      8.779414
  C      -0.604881      2.565540      9.036604
  N      -0.420813      3.269204      7.739061
  C      -0.597185      4.741470      7.862500
  C      -2.064192      5.077105      8.051873
  C       0.858606      2.883219      7.091696
  C       0.778873      3.173756      5.594803
  N      -0.502452      2.730886      5.088297
  H      -2.185570      6.173663      7.945205
  H      -2.388606      4.841737      9.088793
  H      -0.236177      5.183554      6.924600
  H       0.013649      5.137985      8.693817
  H       1.611549      2.660035      5.083647
  H       0.912658      4.255247      5.413747
  H       0.957157      1.798189      7.240320
  H       1.709251      3.386016      7.588426
  H      -1.633723      0.814100      9.728143
  H      -0.444265      0.458027      8.463330
  H      -1.296436      3.166979      9.639547
  H       0.353769      2.499830      9.578841
  C      -4.304211      4.435554      7.342735
  C      -5.103821      3.470066      6.520105
  C      -5.997831      3.873096      5.589294
  C      -6.729720      3.024996      4.654935
  N      -6.114870      1.919580      4.217984
  C      -6.727657      1.207051      3.247012
  N      -7.887101      1.459675      2.668283
  C      -8.565509      2.547468      3.139851
  C      -9.851307      2.834225      2.617595
  C     -10.580836      3.898361      3.102984
  C     -10.054145      4.722980      4.124029
  C      -8.798325      4.473889      4.641605
  C      -8.026730      3.390895      4.163328
  C      -0.553973      1.502493      4.256404
  C      -1.379221      0.429170      4.902686
  C      -2.296345     -0.448649      4.354662
  C      -3.023067     -0.389228      3.127772
  N      -3.073201      0.771427      2.418289
  C      -3.845820      0.808864      1.323966
  N      -4.611027     -0.147206      0.816638
  C      -4.575999     -1.344384      1.491422
  C      -5.370455     -2.413573      1.013660
  C      -5.350429     -3.644211      1.641281
  C      -4.524307     -3.849103      2.764637
  C      -3.747757     -2.813999      3.258109
  C      -3.767955     -1.537657      2.653439
  C      -3.180418      0.205681      7.715801
  C      -4.283371      0.469534      8.689612
  C      -5.619315      0.390387      8.494019
  C      -6.287581     -0.115224      7.305028
  N      -5.642343     -1.003027      6.533060
  C      -6.296098     -1.494001      5.460453
  N      -7.544346     -1.260668      5.096015
  C      -8.214855     -0.333244      5.841368
  C      -9.522869      0.042165      5.443608
  C     -10.195539      1.043369      6.109872
  C      -9.593398      1.700508      7.206924
  C      -8.328718      1.341819      7.627957
  C      -7.613546      0.316500      6.963859
  H      -4.661976      5.469046      7.165453
  H      -4.466664      4.210820      8.420150
  H      -4.927688      2.407988      6.717913
  H      -6.173086      4.951724      5.519088
  H      -6.190287      0.329566      2.882942
  H     -10.240523      2.179359      1.837171
  H     -11.573420      4.106862      2.700898
  H     -10.644985      5.557419      4.503499
  H      -8.409387      5.105445      5.441638
  H       0.482271      1.120010      4.154520
  H      -0.915632      1.737392      3.247236
  H      -1.003331      0.153315      5.893896
  H      -2.549677     -1.294708      4.994148
  H      -3.868872      1.766592      0.791697
  H      -5.991968     -2.225955      0.137163
  H      -5.967688     -4.461767      1.266293
  H      -4.499951     -4.825208      3.250897
  H      -3.118167     -3.000699      4.128764
  H      -2.667204     -0.747613      7.963734
  H      -3.567369      0.076242      6.696180
  H      -3.952822      0.883723      9.648163
  H      -6.263450      0.769724      9.288727
  H      -5.709049     -2.166736      4.826905
  H      -9.951133     -0.458380      4.574711
  H     -11.189259      1.347044      5.778575
  H     -10.127355      2.504300      7.714862
  H      -7.870790      1.875980      8.459993
  N      -3.141353      2.939699      4.377496
  H      -4.162665      2.984334      4.435531
  H      -2.939379      2.276556      3.601568
  H      -2.811535      3.866617      4.090758
93
Coordinates from ORCA-job orca E -6201.283790385483
  N      -2.871612      4.353159      7.095450
  Mo     -2.084020      2.698837      6.334451
  N      -2.239981      1.326815      7.746740
  C      -1.216811      1.198070      8.772116
  C      -0.611731      2.568786      9.029823
  N      -0.429932      3.273542      7.732761
  C      -0.598298      4.745739      7.861319
  C      -2.063422      5.085967      8.056657
  C       0.845536      2.884598      7.079025
  C       0.759999      3.181166      5.583738
  N      -0.521345      2.737155      5.075611
  H      -2.183291      6.182022      7.943644
  H      -2.383631      4.857968      9.096349
  H      -0.239010      5.190295      6.924049
  H       0.016926      5.137023      8.691861
  H       1.593566      2.674256      5.067334
  H       0.888720      4.264047      5.408029
  H       0.941203      1.798636      7.222834
  H       1.699970      3.382409      7.574270
  H      -1.639204      0.816270      9.720449
  H      -0.449113      0.461412      8.456466
  H      -1.304799      3.168244      9.633083
  H       0.347009      2.504651      9.572111
  C      -4.307328      4.458363      7.363289
  C      -5.116318      3.493265      6.550054
  C      -6.002300      3.897101      5.611386
  C      -6.732090      3.051373      4.673547
  N      -6.117595      1.945565      4.236095
  C      -6.725038      1.238952      3.257212
  N      -7.878876      1.498359      2.670248
  C      -8.558123      2.585561      3.142225
  C      -9.839157      2.878256      2.612062
  C     -10.569630      3.941680      3.098103
  C     -10.048461      4.759353      4.127363
  C      -8.797013      4.504307      4.652863
  C      -8.024831      3.421905      4.174191
  C      -0.564480      1.503161      4.249962
  C      -1.368670      0.416009      4.898055
  C      -2.283431     -0.464394      4.355628
  C      -3.016262     -0.409450      3.130467
  N      -3.075755      0.750405      2.421615
  C      -3.855293      0.785168      1.331843
  N      -4.618295     -0.175017      0.828933
  C      -4.573309     -1.372020      1.503071
  C      -5.365192     -2.445249      1.030457
  C      -5.335185     -3.675425      1.658892
  C      -4.501477     -3.875751      2.777492
  C      -3.726981     -2.836841      3.265986
  C      -3.757076     -1.561057      2.660394
  C      -3.178817      0.203267      7.701132
  C      -4.279924      0.450498      8.681455
  C      -5.615734      0.365600      8.487099
  C      -6.281216     -0.132321      7.293468
  N      -5.633545     -1.014040      6.516748
  C      -6.285122     -1.498149      5.439574
  N      -7.533308     -1.264119      5.074767
  C      -8.206297     -0.342420      5.825175
  C      -9.513427      0.035407      5.427145
  C     -10.186856      1.033372      6.097766
  C      -9.586625      1.684154      7.199562
  C      -8.322846      1.322509      7.621064
  C      -7.606909      0.300625      6.952528
  H      -4.656097      5.493449      7.176887
  H      -4.467803      4.246674      8.443462
  H      -4.950943      2.431943      6.758367
  H      -6.169681      4.976422      5.532402
  H      -6.187507      0.361119      2.893872
  H     -10.224317      2.228600      1.825338
  H     -11.558795      4.154778      2.690104
  H     -10.639968      5.593152      4.507178
  H      -8.412037      5.130050      5.459310
  H       0.476522      1.135224      4.143953
  H      -0.933884      1.727477      3.241124
  H      -0.991609      0.147357      5.890420
  H      -2.531487     -1.311206      4.996198
  H      -3.888346      1.744423      0.802747
  H      -5.992938     -2.261189      0.157719
  H      -5.950657     -4.496241      1.288197
  H      -4.470014     -4.851386      3.264242
  H      -3.091434     -3.018807      4.133294
  H      -2.658576     -0.749533      7.936010
  H      -3.568923      0.082464      6.681546
  H      -3.949636      0.857562      9.643084
  H      -6.261683      0.733207      9.285907
  H      -5.696311     -2.165181      4.801653
  H      -9.940155     -0.459813      4.554467
  H     -11.179697      1.339541      5.766072
  H     -10.121068      2.485579      7.710704
  H      -7.865784      1.852138      8.456499
  N      -3.172595      2.915469      4.385999
  H      -4.194984      2.897908      4.445291
  H      -2.938653      2.266929      3.606815
  H      -2.897275      3.860577      4.101237
93
Coordinates from ORCA-job orca E -6201.284494322393
  N      -2.877710      4.358349      7.108310
  Mo     -2.098282      2.708370      6.332675
  N      -2.244423      1.329402      7.736735
  C      -1.222801      1.200813      8.764295
  C      -0.618968      2.571505      9.022746
  N      -0.439092      3.277797      7.726308
  C      -0.599323      4.749813      7.861107
  C      -2.062831      5.094178      8.062234
  C       0.832610      2.886389      7.066074
  C       0.741509      3.189543      5.572463
  N      -0.539656      2.744119      5.062223
  H      -2.181674      6.189706      7.943587
  H      -2.379052      4.872665      9.104365
  H      -0.241587      5.197736      6.924965
  H       0.020079      5.135179      8.691292
  H       1.576245      2.690009      5.050843
  H       0.864816      4.273867      5.402505
  H       0.925553      1.799455      7.204505
  H       1.690656      3.379100      7.560168
  H      -1.645794      0.818195      9.711958
  H      -0.454482      0.464448      8.449399
  H      -1.313947      3.168718      9.626124
  H       0.339676      2.509041      9.565412
  C      -4.310063      4.481412      7.383273
  C      -5.128040      3.516402      6.579448
  C      -6.006423      3.919826      5.632809
  C      -6.735918      3.076551      4.692817
  N      -6.124359      1.968832      4.254898
  C      -6.728464      1.268909      3.268815
  N      -7.876719      1.536889      2.674693
  C      -8.554491      2.624766      3.147373
  C      -9.830663      2.925482      2.610455
  C     -10.559660      3.989828      3.097300
  C     -10.041616      4.800064      4.133814
  C      -8.794577      4.536977      4.666135
  C      -8.024218      3.453527      4.186801
  C      -0.573954      1.504821      4.242622
  C      -1.355593      0.403619      4.893069
  C      -2.268225     -0.479602      4.357224
  C      -3.008323     -0.429671      3.134463
  N      -3.078663      0.729228      2.426289
  C      -3.866081      0.760579      1.341760
  N      -4.626231     -0.204497      0.843775
  C      -4.569669     -1.401203      1.517168
  C      -5.358335     -2.479187      1.050381
  C      -5.317010     -3.708670      1.679890
  C      -4.474988     -3.903468      2.793285
  C      -3.703068     -2.860060      3.276093
  C      -3.744433     -1.585052      2.669321
  C      -3.177613      0.201403      7.684163
  C      -4.276978      0.431217      8.670797
  C      -5.612563      0.340364      8.477072
  C      -6.274896     -0.150250      7.278751
  N      -5.625186     -1.026979      6.498283
  C      -6.274855     -1.504872      5.416967
  N      -7.522842     -1.269743      5.051408
  C      -8.197865     -0.352560      5.805764
  C      -9.503913      0.027979      5.407107
  C     -10.177569      1.023691      6.081175
  C      -9.578858      1.668846      7.187023
  C      -8.316153      1.303952      7.609317
  C      -7.600040      0.284414      6.937385
  H      -4.649830      5.517884      7.187364
  H      -4.468886      4.283084      8.466044
  H      -4.973482      2.456141      6.799007
  H      -6.166047      4.999668      5.544523
  H      -6.192382      0.390055      2.905545
  H     -10.213634      2.281400      1.818125
  H     -11.545347      4.209184      2.684252
  H     -10.631889      5.634519      4.514126
  H      -8.411670      5.156578      5.478253
  H       0.471718      1.151974      4.131982
  H      -0.951538      1.718058      3.234310
  H      -0.975978      0.141933      5.885991
  H      -2.509880     -1.327402      4.998976
  H      -3.910832      1.721439      0.816351
  H      -5.992987     -2.299404      0.181808
  H      -5.930269     -4.533301      1.314071
  H      -4.435453     -4.878441      3.280751
  H      -3.061014     -3.036411      4.139784
  H      -2.650619     -0.751070      7.904844
  H      -3.570939      0.090500      6.664530
  H      -3.947267      0.830621      9.635776
  H      -6.260643      0.695805      9.279756
  H      -5.684822     -2.167436      4.775516
  H      -9.929374     -0.462539      4.531168
  H     -11.169404      1.332557      5.748870
  H     -10.113338      2.468706      7.700588
  H      -7.859635      1.829617      8.447601
  N      -3.204753      2.891253      4.395604
  H      -4.224919      2.810570      4.456729
  H      -2.939766      2.258684      3.613336
  H      -2.985932      3.851328      4.112137
93
Coordinates from ORCA-job orca E -6201.285232623964
  N      -2.882309      4.365217      7.122830
  Mo     -2.112997      2.720006      6.331064
  N      -2.249811      1.332661      7.725002
  C      -1.230174      1.202593      8.754984
  C      -0.626462      2.572383      9.015381
  N      -0.448253      3.281399      7.720213
  C      -0.598605      4.753264      7.863476
  C      -2.060435      5.102815      8.070385
  C       0.819176      2.887334      7.052707
  C       0.722032      3.199102      5.561184
  N      -0.558906      2.752703      5.048199
  H      -2.177715      6.197914      7.946868
  H      -2.373109      4.887103      9.114610
  H      -0.241805      5.205734      6.929274
  H       0.025252      5.130721      8.693920
  H       1.557975      2.708006      5.033538
  H       0.839609      4.285075      5.398498
  H       0.908806      1.799237      7.184383
  H       1.681305      3.373857      7.545834
  H      -1.654384      0.818627      9.701460
  H      -0.461816      0.466132      8.440298
  H      -1.322978      3.167189      9.619466
  H       0.332092      2.510544      9.558281
  C      -4.310945      4.509228      7.403491
  C      -5.138974      3.544343      6.609798
  C      -6.008667      3.946865      5.654386
  C      -6.739003      3.104475      4.714805
  N      -6.132288      1.992153      4.280285
  C      -6.733194      1.296679      3.288878
  N      -7.875184      1.573103      2.686437
  C      -8.550325      2.664035      3.156472
  C      -9.820976      2.972799      2.611555
  C     -10.547203      4.040610      3.095704
  C     -10.031635      4.845849      4.137135
  C      -8.789566      4.574734      4.677419
  C      -8.022248      3.487868      4.200803
  C      -0.584367      1.509177      4.233299
  C      -1.341845      0.392736      4.885336
  C      -2.252360     -0.493655      4.356534
  C      -3.000668     -0.449806      3.136562
  N      -3.083450      0.707898      2.429241
  C      -3.879756      0.735165      1.350786
  N      -4.636326     -0.235455      0.858137
  C      -4.566056     -1.431928      1.530081
  C      -5.350266     -2.515468      1.069054
  C      -5.295728     -3.744336      1.699083
  C      -4.444758     -3.932831      2.806797
  C      -3.676557     -2.884161      3.283968
  C      -3.730957     -1.609793      2.676548
  C      -3.178378      0.201089      7.665150
  C      -4.274947      0.413235      8.658950
  C      -5.610335      0.315593      8.466529
  C      -6.269668     -0.169789      7.264476
  N      -5.618099     -1.043523      6.482281
  C      -6.266303     -1.517971      5.398319
  N      -7.514219     -1.282634      5.031856
  C      -8.190896     -0.367630      5.787735
  C      -9.495887      0.014832      5.387857
  C     -10.169159      1.010572      6.062700
  C      -9.571297      1.653183      7.170410
  C      -8.309689      1.285718      7.594208
  C      -7.594120      0.266166      6.921711
  H      -4.639714      5.547229      7.196337
  H      -4.469472      4.326111      8.488803
  H      -4.996930      2.485510      6.842901
  H      -6.159389      5.027086      5.554461
  H      -6.199265      0.414949      2.928695
  H     -10.202319      2.332378      1.815498
  H     -11.528928      4.266281      2.676662
  H     -10.619685      5.682901      4.515227
  H      -8.408177      5.190192      5.493365
  H       0.465794      1.172029      4.116674
  H      -0.970901      1.712116      3.226172
  H      -0.958558      0.137282      5.878230
  H      -2.486498     -1.342713      4.999452
  H      -3.937271      1.697453      0.829277
  H      -5.992410     -2.340510      0.205056
  H      -5.905849     -4.573416      1.338124
  H      -4.395738     -4.907211      3.294586
  H      -3.027658     -3.054304      4.143697
  H      -2.645013     -0.751401      7.869698
  H      -3.576092      0.101568      6.646002
  H      -3.945242      0.805028      9.626985
  H      -6.260424      0.658744      9.273068
  H      -5.675540     -2.178217      4.755111
  H      -9.920517     -0.473316      4.510193
  H     -11.159988      1.321546      5.729239
  H     -10.105274      2.453301      7.684137
  H      -7.853128      1.809713      8.433586
  N      -3.240847      2.867018      4.408441
  H      -4.255723      2.724148      4.473526
  H      -2.947914      2.249686      3.624332
  H      -3.079926      3.837788      4.123026
93
Coordinates from ORCA-job orca E -6201.286030445958
  N      -2.883346      4.367731      7.116770
  Mo     -2.116802      2.717838      6.331691
  N      -2.256324      1.336373      7.730762
  C      -1.238794      1.209388      8.763379
  C      -0.633863      2.579446      9.018634
  N      -0.452764      3.282364      7.720582
  C      -0.599122      4.755143      7.857836
  C      -2.060523      5.109037      8.061017
  C       0.814808      2.882903      7.056605
  C       0.719829      3.190178      5.564184
  N      -0.560720      2.743234      5.049760
  H      -2.175630      6.203598      7.931018
  H      -2.374905      4.899942      9.106044
  H      -0.239763      5.203257      6.922529
  H       0.024443      5.134247      8.687727
  H       1.556514      2.697784      5.038925
  H       0.837927      4.275682      5.398815
  H       0.902266      1.795083      7.192047
  H       1.677248      3.369515      7.549099
  H      -1.665353      0.830448      9.710799
  H      -0.470931      0.470247      8.453679
  H      -1.331075      3.177516      9.618732
  H       0.323634      2.519171      9.563583
  C      -4.311383      4.519466      7.396327
  C      -5.142835      3.552668      6.608709
  C      -6.010564      3.953020      5.650521
  C      -6.745892      3.108439      4.717009
  N      -6.146038      1.989803      4.289006
  C      -6.752296      1.290702      3.303281
  N      -7.893814      1.569267      2.700806
  C      -8.562454      2.666809      3.164766
  C      -9.832309      2.978764      2.619913
  C     -10.551972      4.053711      3.098310
  C     -10.030434      4.862825      4.133710
  C      -8.788883      4.588590      4.673744
  C      -8.028114      3.494671      4.202655
  C      -0.583646      1.499035      4.235673
  C      -1.349657      0.383822      4.879433
  C      -2.253104     -0.501809      4.338095
  C      -2.977735     -0.460497      3.103577
  N      -3.043063      0.694898      2.390846
  C      -3.816104      0.720152      1.295434
  N      -4.563385     -0.250955      0.789657
  C      -4.509285     -1.445489      1.466431
  C      -5.284446     -2.529516      0.991509
  C      -5.244573     -3.756778      1.625888
  C      -4.417585     -3.943194      2.751960
  C      -3.658761     -2.893983      3.242826
  C      -3.699272     -1.620989      2.631278
  C      -3.189647      0.208265      7.677618
  C      -4.280207      0.426545      8.676904
  C      -5.616989      0.330441      8.493140
  C      -6.285537     -0.161485      7.298728
  N      -5.642532     -1.043752      6.519077
  C      -6.301119     -1.526113      5.444670
  N      -7.551468     -1.290713      5.086353
  C      -8.219647     -0.367174      5.839496
  C      -9.527319      0.014427      5.447787
  C     -10.192637      1.017338      6.120059
  C      -9.583753      1.668196      7.216887
  C      -8.319215      1.301656      7.632855
  C      -7.611725      0.274776      6.962927
  H      -4.636160      5.557353      7.182150
  H      -4.471324      4.344583      8.482771
  H      -5.005723      2.494743      6.848838
  H      -6.157422      5.033172      5.543984
  H      -6.223901      0.403286      2.948932
  H     -10.218441      2.335189      1.828704
  H     -11.533234      4.281896      2.679493
  H     -10.613471      5.705325      4.507506
  H      -8.402750      5.207060      5.485174
  H       0.466559      1.159250      4.127547
  H      -0.961045      1.702483      3.225083
  H      -0.980194      0.128757      5.877663
  H      -2.499592     -1.349384      4.978391
  H      -3.860443      1.680956      0.769827
  H      -5.907641     -2.356354      0.113372
  H      -5.847542     -4.586302      1.254037
  H      -4.379747     -4.916456      3.243007
  H      -3.028107     -3.062379      4.116352
  H      -2.658641     -0.745733      7.881112
  H      -3.592979      0.108428      6.660758
  H      -3.944013      0.821387      9.641466
  H      -6.261359      0.678409      9.302274
  H      -5.718099     -2.194746      4.803120
  H      -9.960661     -0.480407      4.578150
  H     -11.185773      1.327509      5.792681
  H     -10.111588      2.473862      7.728342
  H      -7.854126      1.831727      8.463741
  N      -3.246040      2.847576      4.409256
  H      -4.260226      2.695225      4.474985
  H      -2.947784      2.227581      3.629295
  H      -3.094286      3.817751      4.117095
93
Coordinates from ORCA-job orca E -6201.287008282669
  N      -2.879089      4.375449      7.111331
  Mo     -2.118326      2.719264      6.335101
  N      -2.255620      1.346227      7.740633
  C      -1.244213      1.230007      8.781155
  C      -0.640803      2.602424      9.025166
  N      -0.454996      3.292115      7.720668
  C      -0.592388      4.766584      7.846593
  C      -2.052951      5.128435      8.044519
  C       0.811834      2.881178      7.061527
  C       0.718854      3.178859      5.567066
  N      -0.561044      2.729652      5.049562
  H      -2.165627      6.221052      7.897602
  H      -2.368283      4.936189      9.092353
  H      -0.229459      5.206884      6.909028
  H       0.031751      5.148598      8.674662
  H       1.557442      2.685913      5.045382
  H       0.835827      4.263656      5.396633
  H       0.895068      1.793946      7.204463
  H       1.675885      3.367685      7.551294
  H      -1.675772      0.860479      9.729942
  H      -0.474533      0.487659      8.483579
  H      -1.342061      3.205349      9.615772
  H       0.314150      2.548924      9.575291
  C      -4.304599      4.547555      7.390036
  C      -5.143427      3.572462      6.620704
  C      -6.005427      3.961599      5.652484
  C      -6.745061      3.106571      4.732482
  N      -6.153756      1.976140      4.322674
  C      -6.763593      1.266129      3.346626
  N      -7.902058      1.544428      2.737879
  C      -8.563666      2.653469      3.184712
  C      -9.830256      2.966676      2.633384
  C     -10.542443      4.054265      3.094981
  C     -10.016461      4.874326      4.119313
  C      -8.777604      4.598816      4.665295
  C      -8.024292      3.492657      4.210701
  C      -0.579134      1.481088      4.241705
  C      -1.347790      0.365395      4.880436
  C      -2.259428     -0.506684      4.334587
  C      -2.976283     -0.453012      3.094769
  N      -3.019602      0.704885      2.385346
  C      -3.785595      0.745737      1.285093
  N      -4.543529     -0.213054      0.771531
  C      -4.511290     -1.410316      1.444497
  C      -5.299103     -2.481390      0.961294
  C      -5.281705     -3.710741      1.593046
  C      -4.465328     -3.912471      2.724237
  C      -3.693937     -2.876232      3.223080
  C      -3.711312     -1.601102      2.614419
  C      -3.185985      0.215321      7.691061
  C      -4.278120      0.430917      8.689488
  C      -5.613941      0.326019      8.503044
  C      -6.276100     -0.178473      7.310020
  N      -5.628962     -1.068669      6.543036
  C      -6.283956     -1.564605      5.472047
  N      -7.533501     -1.334751      5.106543
  C      -8.205463     -0.402576      5.845946
  C      -9.512267     -0.027177      5.445892
  C     -10.180205      0.983472      6.104363
  C      -9.574889      1.648173      7.194804
  C      -8.311280      1.287415      7.619123
  C      -7.601479      0.252594      6.963940
  H      -4.620195      5.583892      7.154800
  H      -4.466834      4.397285      8.479719
  H      -5.016995      2.518504      6.882450
  H      -6.145774      5.040419      5.524726
  H      -6.241429      0.368583      3.008307
  H     -10.220168      2.314417      1.851151
  H     -11.521517      4.283596      2.671581
  H     -10.593873      5.726315      4.480281
  H      -8.387602      5.225635      5.468429
  H       0.471927      1.142049      4.140212
  H      -0.951020      1.679084      3.227753
  H      -0.987176      0.107489      5.881082
  H      -2.521612     -1.352105      4.971618
  H      -3.812244      1.709513      0.763491
  H      -5.913794     -2.296804      0.079471
  H      -5.894452     -4.530281      1.214963
  H      -4.445478     -4.887581      3.212760
  H      -3.071051     -3.055558      4.099957
  H      -2.651290     -0.736691      7.893862
  H      -3.589638      0.113822      6.674528
  H      -3.945624      0.831377      9.653001
  H      -6.263066      0.673714      9.308699
  H      -5.699472     -2.242109      4.841152
  H      -9.942726     -0.532755      4.580983
  H     -11.172657      1.289030      5.770386
  H     -10.104656      2.459938      7.694627
  H      -7.848351      1.827884      8.444630
  N      -3.258949      2.797631      4.419527
  H      -4.267735      2.604399      4.489874
  H      -2.940779      2.177500      3.647754
  H      -3.146989      3.768135      4.111482
93
Coordinates from ORCA-job orca E -6201.288915131850
  N      -2.878002      4.385083      7.114207
  Mo     -2.126577      2.727215      6.334025
  N      -2.259456      1.353453      7.736841
  C      -1.253411      1.241342      8.784058
  C      -0.650779      2.614524      9.024747
  N      -0.461731      3.299435      7.718049
  C      -0.587737      4.774893      7.843452
  C      -2.046947      5.145094      8.038910
  C       0.803521      2.881132      7.059022
  C       0.709701      3.177846      5.564210
  N      -0.569025      2.725367      5.041915
  H      -2.156723      6.236197      7.879583
  H      -2.362552      4.965694      9.088756
  H      -0.221026      5.213976      6.906884
  H       0.037783      5.152936      8.672242
  H       1.551075      2.690117      5.042126
  H       0.822011      4.263250      5.394833
  H       0.883361      1.793694      7.202715
  H       1.669857      3.364878      7.547501
  H      -1.689394      0.875751      9.732242
  H      -0.482619      0.497160      8.493728
  H      -1.355749      3.218315      9.610224
  H       0.302062      2.564543      9.578897
  C      -4.299877      4.582280      7.392751
  C      -5.147871      3.602624      6.639214
  C      -6.001121      3.983865      5.659730
  C      -6.740694      3.122675      4.746061
  N      -6.154009      1.984897      4.348217
  C      -6.760584      1.271343      3.372299
  N      -7.892990      1.552551      2.753203
  C      -8.552151      2.667746      3.188874
  C      -9.812773      2.984675      2.626568
  C     -10.521700      4.079760      3.076449
  C      -9.998298      4.902883      4.099450
  C      -8.764786      4.623583      4.656079
  C      -8.014790      3.510319      4.212998
  C      -0.576685      1.473074      4.237971
  C      -1.330931      0.346028      4.873293
  C      -2.247417     -0.518913      4.328884
  C      -2.967194     -0.458422      3.089239
  N      -3.005384      0.701951      2.384933
  C      -3.775228      0.753218      1.287329
  N      -4.540094     -0.199263      0.772167
  C      -4.512722     -1.399500      1.439461
  C      -5.308357     -2.463837      0.954462
  C      -5.296830     -3.695471      1.582364
  C      -4.478831     -3.906430      2.710732
  C      -3.699152     -2.877187      3.211202
  C      -3.709958     -1.599750      2.606597
  C      -3.187620      0.220401      7.685906
  C      -4.276474      0.424597      8.690672
  C      -5.612007      0.310036      8.507417
  C      -6.272585     -0.200312      7.315715
  N      -5.623476     -1.092148      6.552504
  C      -6.279815     -1.596488      5.485604
  N      -7.531109     -1.372744      5.121251
  C      -8.204883     -0.437935      5.856192
  C      -9.513738     -0.068992      5.457404
  C     -10.182498      0.944213      6.111796
  C      -9.575930      1.617421      7.196247
  C      -8.310202      1.262328      7.619703
  C      -7.599855      0.224899      6.969161
  H      -4.603051      5.617912      7.137943
  H      -4.465079      4.455801      8.484885
  H      -5.035065      2.552525      6.921406
  H      -6.133418      5.061395      5.512880
  H      -6.240882      0.367864      3.045223
  H     -10.201010      2.329874      1.845579
  H     -11.496508      4.312215      2.644855
  H     -10.573359      5.760287      4.451442
  H      -8.376257      5.252468      5.458317
  H       0.477871      1.145456      4.135743
  H      -0.951118      1.663465      3.223267
  H      -0.970924      0.087426      5.873852
  H      -2.513303     -1.365044      4.963612
  H      -3.797664      1.720386      0.771662
  H      -5.924459     -2.272416      0.075059
  H      -5.915809     -4.509877      1.203194
  H      -4.464138     -4.883477      3.195666
  H      -3.074232     -3.062551      4.085322
  H      -2.648187     -0.731282      7.877038
  H      -3.596546      0.126036      6.670824
  H      -3.943430      0.823804      9.654490
  H      -6.262656      0.650008      9.315395
  H      -5.695967     -2.277469      4.857749
  H      -9.945167     -0.580901      4.596675
  H     -11.176686      1.245271      5.778594
  H     -10.106324      2.431336      7.692060
  H      -7.845661      1.809133      8.440275
  N      -3.284648      2.757926      4.431269
  H      -4.283272      2.510248      4.508274
  H      -2.941895      2.148178      3.661888
  H      -3.226577      3.729848      4.113485
93
Coordinates from ORCA-job orca E -6201.289578562044
  N      -2.876715      4.395622      7.121659
  Mo     -2.132843      2.739987      6.329505
  N      -2.261199      1.356971      7.721387
  C      -1.258864      1.243101      8.772722
  C      -0.657927      2.616001      9.017965
  N      -0.466932      3.303893      7.713041
  C      -0.583145      4.779238      7.845533
  C      -2.040822      5.155178      8.043317
  C       0.796477      2.883714      7.050893
  C       0.700497      3.186412      5.557078
  N      -0.578193      2.734507      5.030429
  H      -2.148591      6.246001      7.881205
  H      -2.355266      4.979035      9.093920
  H      -0.214655      5.222119      6.911526
  H       0.044731      5.149785      8.675839
  H       1.542937      2.703786      5.032060
  H       0.810504      4.272756      5.392206
  H       0.874994      1.795568      7.190199
  H       1.664772      3.363795      7.539457
  H      -1.697446      0.874800      9.718549
  H      -0.486358      0.500056      8.483765
  H      -1.366335      3.216574      9.602818
  H       0.293414      2.566611      9.574783
  C      -4.294638      4.608805      7.404216
  C      -5.149495      3.628850      6.659188
  C      -5.998460      4.008640      5.675347
  C      -6.734018      3.145022      4.761448
  N      -6.145169      2.006788      4.366660
  C      -6.744290      1.293648      3.385386
  N      -7.872093      1.576097      2.757871
  C      -8.534643      2.690890      3.190089
  C      -9.789955      3.009859      2.617555
  C     -10.500747      4.106293      3.062386
  C      -9.984724      4.927685      4.090377
  C      -8.756143      4.646173      4.657216
  C      -8.004191      3.532068      4.218848
  C      -0.580309      1.476836      4.235638
  C      -1.341309      0.356425      4.874375
  C      -2.259484     -0.506186      4.331399
  C      -2.957995     -0.460776      3.077960
  N      -2.967620      0.685581      2.350936
  C      -3.720201      0.727989      1.240560
  N      -4.490947     -0.223233      0.731570
  C      -4.491519     -1.410692      1.421469
  C      -5.295372     -2.472504      0.944756
  C      -5.312503     -3.691363      1.597631
  C      -4.515808     -3.892051      2.742991
  C      -3.728016     -2.864986      3.235426
  C      -3.709708     -1.599915      2.605203
  C      -3.187850      0.222775      7.663249
  C      -4.271179      0.410062      8.677768
  C      -5.606816      0.286357      8.500950
  C      -6.270136     -0.225433      7.310917
  N      -5.621409     -1.115069      6.545058
  C      -6.283746     -1.625156      5.483710
  N      -7.538633     -1.407443      5.127102
  C      -8.212036     -0.473579      5.864152
  C      -9.525779     -0.112320      5.475135
  C     -10.194209      0.899008      6.133521
  C      -9.582083      1.577539      7.211467
  C      -8.311240      1.229152      7.625796
  C      -7.601595      0.193268      6.971868
  H      -4.590785      5.644661      7.141236
  H      -4.460136      4.494009      8.497545
  H      -5.045619      2.580281      6.949621
  H      -6.127109      5.085441      5.519468
  H      -6.222509      0.388822      3.064182
  H     -10.172623      2.356354      1.832666
  H     -11.471654      4.340717      2.622951
  H     -10.561552      5.785559      4.438586
  H      -8.372729      5.273365      5.463230
  H       0.474520      1.147284      4.144051
  H      -0.947252      1.657526      3.216079
  H      -0.995451      0.107867      5.882398
  H      -2.544892     -1.338951      4.975539
  H      -3.718681      1.685782      0.706977
  H      -5.894769     -2.289745      0.052000
  H      -5.937838     -4.503925      1.224754
  H      -4.523615     -4.859541      3.247044
  H      -3.117982     -3.041323      4.121914
  H      -2.644140     -0.729917      7.835858
  H      -3.604465      0.142253      6.649996
  H      -3.934989      0.802718      9.643188
  H      -6.256290      0.614302      9.315114
  H      -5.703274     -2.307705      4.854244
  H      -9.961610     -0.627966      4.618818
  H     -11.192604      1.194696      5.807813
  H     -10.112329      2.390311      7.709538
  H      -7.841917      1.779761      8.441271
  N      -3.309628      2.746218      4.440578
  H      -4.297600      2.453189      4.523620
  H      -2.947761      2.154865      3.665096
  H      -3.298083      3.720193      4.124764
93
Coordinates from ORCA-job orca E -6201.290073530069
  N      -2.881920      4.391466      7.129151
  Mo     -2.136656      2.738806      6.330621
  N      -2.260454      1.349484      7.716374
  C      -1.259083      1.234820      8.769047
  C      -0.661361      2.608309      9.017629
  N      -0.471496      3.300224      7.714162
  C      -0.586986      4.775370      7.852090
  C      -2.045284      5.150756      8.051200
  C       0.792811      2.884798      7.049893
  C       0.694179      3.191543      5.556533
  N      -0.584170      2.736970      5.028786
  H      -2.154450      6.241561      7.890089
  H      -2.358939      4.972978      9.101733
  H      -0.218306      5.222261      6.920058
  H       0.040880      5.142866      8.683718
  H       1.537839      2.713627      5.029241
  H       0.800622      4.278702      5.394071
  H       0.875905      1.796602      7.186382
  H       1.660123      3.366745      7.538329
  H      -1.697727      0.863347      9.713559
  H      -0.484305      0.494161      8.479732
  H      -1.372468      3.204862      9.603499
  H       0.289663      2.560346      9.575186
  C      -4.298810      4.606407      7.413245
  C      -5.152346      3.620135      6.674690
  C      -6.007995      3.991175      5.693405
  C      -6.738798      3.116078      4.786811
  N      -6.145131      1.975902      4.403812
  C      -6.740209      1.250552      3.428723
  N      -7.868324      1.522944      2.796511
  C      -8.535675      2.639714      3.216711
  C      -9.789941      2.950202      2.637347
  C     -10.503954      4.050194      3.068957
  C      -9.992662      4.882719      4.090347
  C      -8.765110      4.609384      4.663758
  C      -8.009475      3.492547      4.238037
  C      -0.581348      1.479939      4.233455
  C      -1.352385      0.363797      4.868387
  C      -2.267725     -0.498471      4.319090
  C      -2.947584     -0.460658      3.055128
  N      -2.944556      0.681080      2.320888
  C      -3.681709      0.718873      1.199683
  N      -4.447509     -0.233758      0.685498
  C      -4.460422     -1.417008      1.382284
  C      -5.259935     -2.479981      0.900805
  C      -5.288943     -3.694861      1.561138
  C      -4.508533     -3.890601      2.718493
  C      -3.725123     -2.862277      3.215670
  C      -3.695458     -1.600883      2.578263
  C      -3.192924      0.219865      7.659957
  C      -4.270325      0.408032      8.681105
  C      -5.607346      0.297235      8.507112
  C      -6.278397     -0.201811      7.315455
  N      -5.643127     -1.099266      6.547799
  C      -6.315050     -1.599117      5.486775
  N      -7.566381     -1.360525      5.130398
  C      -8.224870     -0.416183      5.868039
  C      -9.533081     -0.034070      5.480714
  C     -10.185186      0.986254      6.142213
  C      -9.561392      1.653429      7.220591
  C      -8.295715      1.284365      7.633401
  C      -7.603351      0.238092      6.977257
  H      -4.597384      5.640619      7.145941
  H      -4.464322      4.497282      8.507246
  H      -5.044948      2.572796      6.967171
  H      -6.144319      5.066015      5.530333
  H      -6.214867      0.343031      3.119841
  H     -10.168931      2.288196      1.857692
  H     -11.474025      4.278530      2.624249
  H     -10.572354      5.742829      4.428482
  H      -8.384784      5.245283      5.464453
  H       0.473016      1.146882      4.150500
  H      -0.939810      1.660562      3.210625
  H      -1.015599      0.115319      5.879536
  H      -2.563740     -1.326875      4.964342
  H      -3.667521      1.672929      0.659531
  H      -5.846476     -2.301598     -0.001442
  H      -5.910871     -4.508379      1.184338
  H      -4.524987     -4.855386      3.227731
  H      -3.125583     -3.034520      4.110206
  H      -2.652888     -0.736407      7.823958
  H      -3.617172      0.147366      6.649260
  H      -3.927399      0.792884      9.647367
  H      -6.252356      0.626856      9.324402
  H      -5.747724     -2.293004      4.857535
  H      -9.977657     -0.541282      4.623774
  H     -11.179306      1.298117      5.818106
  H     -10.078447      2.473813      7.720329
  H      -7.816290      1.826168      8.449078
  N      -3.323052      2.740542      4.446606
  H      -4.309385      2.441316      4.534799
  H      -2.959239      2.153521      3.668103
  H      -3.321589      3.714256      4.130058
93
Coordinates from ORCA-job orca E -6201.290605127610
  N      -2.880492      4.390749      7.124362
  Mo     -2.133101      2.735857      6.330171
  N      -2.259529      1.347333      7.716379
  C      -1.263184      1.236120      8.774835
  C      -0.668367      2.610585      9.022015
  N      -0.473546      3.299003      7.717056
  C      -0.585855      4.774767      7.852500
  C      -2.044980      5.152889      8.046103
  C       0.793772      2.882282      7.058012
  C       0.699406      3.186260      5.563373
  N      -0.578012      2.730601      5.031158
  H      -2.153435      6.243012      7.880262
  H      -2.361784      4.978988      9.096291
  H      -0.212951      5.220492      6.921583
  H       0.039740      5.142260      8.685782
  H       1.545101      2.708838      5.039008
  H       0.805701      4.273258      5.399174
  H       0.878922      1.794569      7.197305
  H       1.658986      3.366825      7.547510
  H      -1.705870      0.866838      9.718237
  H      -0.485738      0.495563      8.492121
  H      -1.384279      3.206713      9.602633
  H       0.279947      2.566244      9.584530
  C      -4.296457      4.611211      7.404955
  C      -5.147564      3.616795      6.674463
  C      -6.005245      3.976533      5.690782
  C      -6.726296      3.087419      4.790162
  N      -6.124976      1.945333      4.423641
  C      -6.708545      1.207511      3.450524
  N      -7.831980      1.469697      2.804956
  C      -8.507328      2.588259      3.207842
  C      -9.755668      2.890385      2.611652
  C     -10.475720      3.994321      3.023852
  C      -9.976920      4.838126      4.042141
  C      -8.755214      4.572770      4.631984
  C      -7.993196      3.452735      4.225483
  C      -0.572438      1.475049      4.234175
  C      -1.361716      0.366530      4.860391
  C      -2.282205     -0.483958      4.300415
  C      -2.947470     -0.437080      3.029157
  N      -2.929230      0.707963      2.300248
  C      -3.655996      0.757196      1.172309
  N      -4.424403     -0.187189      0.646359
  C      -4.452586     -1.373628      1.337046
  C      -5.255655     -2.428334      0.843398
  C      -5.299741     -3.646074      1.498242
  C      -4.531037     -3.853449      2.661386
  C      -3.744208     -2.833351      3.170441
  C      -3.699820     -1.569089      2.539406
  C      -3.201263      0.224759      7.667814
  C      -4.268364      0.419945      8.699181
  C      -5.607199      0.313890      8.537345
  C      -6.291579     -0.194680      7.356727
  N      -5.671430     -1.110163      6.598525
  C      -6.360232     -1.624203      5.554243
  N      -7.612931     -1.379870      5.205956
  C      -8.255457     -0.415519      5.932230
  C      -9.564672     -0.029384      5.552962
  C     -10.200841      1.007416      6.205009
  C      -9.559034      1.687850      7.264368
  C      -8.291741      1.315042      7.669473
  C      -7.616057      0.251291      7.023852
  H      -4.595255      5.642925      7.127668
  H      -4.465936      4.513170      8.499508
  H      -5.039898      2.571644      6.973488
  H      -6.147270      5.048727      5.515386
  H      -6.176853      0.297753      3.158089
  H     -10.124985      2.219870      1.834508
  H     -11.441184      4.216807      2.566077
  H     -10.561673      5.700784      4.365117
  H      -8.383933      5.217461      5.429936
  H       0.479914      1.133408      4.162987
  H      -0.917942      1.658430      3.207071
  H      -1.033227      0.107755      5.871628
  H      -2.592894     -1.311331      4.940369
  H      -3.626712      1.713432      0.636426
  H      -5.832750     -2.241703     -0.063381
  H      -5.924381     -4.453172      1.111881
  H      -4.558738     -4.820859      3.165379
  H      -3.151274     -3.013945      4.067945
  H      -2.666505     -0.735561      7.825165
  H      -3.636636      0.157549      6.661432
  H      -3.914868      0.807006      9.660798
  H      -6.244119      0.650867      9.358264
  H      -5.808391     -2.338039      4.933432
  H     -10.023215     -0.547415      4.709888
  H     -11.196192      1.322133      5.887055
  H     -10.063575      2.521326      7.755462
  H      -7.797595      1.866614      8.469867
  N      -3.323887      2.722682      4.447557
  H      -4.306936      2.410518      4.538216
  H      -2.951241      2.141506      3.668300
  H      -3.338288      3.695264      4.128178
93
Coordinates from ORCA-job orca E -6201.291019930421
  N      -2.868117      4.402839      7.115886
  Mo     -2.124608      2.739157      6.331556
  N      -2.260841      1.355225      7.722223
  C      -1.267399      1.245370      8.784375
  C      -0.668761      2.618567      9.027625
  N      -0.467065      3.300470      7.719779
  C      -0.572249      4.777530      7.849245
  C      -2.030500      5.163674      8.037856
  C       0.801653      2.877365      7.066094
  C       0.711915      3.174812      5.569376
  N      -0.567356      2.722320      5.036631
  H      -2.133514      6.253748      7.868568
  H      -2.350811      4.993770      9.087619
  H      -0.194555      5.218056      6.917764
  H       0.053011      5.145208      8.682632
  H       1.556383      2.691149      5.048878
  H       0.823818      4.260445      5.399650
  H       0.885485      1.790327      7.211215
  H       1.666468      3.363272      7.554810
  H      -1.713325      0.880466      9.727846
  H      -0.490524      0.502142      8.506973
  H      -1.385309      3.218902      9.603191
  H       0.277529      2.573868      9.593517
  C      -4.283160      4.629498      7.393841
  C      -5.137283      3.631591      6.671632
  C      -6.000424      3.985813      5.690847
  C      -6.726232      3.086950      4.803701
  N      -6.132154      1.934983      4.456305
  C      -6.720249      1.184342      3.495575
  N      -7.841567      1.443194      2.844689
  C      -8.509662      2.572925      3.228197
  C      -9.754365      2.874706      2.624376
  C     -10.466235      3.991426      3.016488
  C      -9.962969      4.847907      4.021892
  C      -8.744640      4.582783      4.618945
  C      -7.990512      3.450236      4.232152
  C      -0.566483      1.467682      4.237923
  C      -1.378373      0.371764      4.858460
  C      -2.302716     -0.470541      4.289676
  C      -2.949379     -0.423228      3.009864
  N      -2.907589      0.717059      2.273957
  C      -3.618152      0.767829      1.135634
  N      -4.391413     -0.170264      0.605129
  C      -4.443625     -1.351779      1.302771
  C      -5.253204     -2.399746      0.805339
  C      -5.321542     -3.612387      1.467940
  C      -4.571228     -3.821747      2.642642
  C      -3.778172     -2.808115      3.155305
  C      -3.709576     -1.548917      2.516534
  C      -3.207691      0.236406      7.677162
  C      -4.274978      0.438101      8.707599
  C      -5.613191      0.325471      8.546424
  C      -6.295571     -0.204136      7.373365
  N      -5.671798     -1.129520      6.630669
  C      -6.361075     -1.666866      5.597788
  N      -7.615070     -1.433648      5.246597
  C      -8.260929     -0.458357      5.955422
  C      -9.572814     -0.085847      5.572394
  C     -10.213229      0.958176      6.208979
  C      -9.572470      1.660224      7.254747
  C      -8.302080      1.301380      7.663121
  C      -7.622547      0.229931      7.034344
  H      -4.580480      5.659961      7.110096
  H      -4.454618      4.539581      8.488931
  H      -5.031677      2.587362      6.973807
  H      -6.143415      5.056226      5.506087
  H      -6.193841      0.265956      3.220413
  H     -10.127347      2.194346      1.857562
  H     -11.428880      4.214168      2.552815
  H     -10.541680      5.720329      4.329349
  H      -8.369547      5.237566      5.406826
  H       0.481795      1.112285      4.176897
  H      -0.899569      1.655709      3.207296
  H      -1.057598      0.104602      5.869926
  H      -2.629604     -1.292465      4.928785
  H      -3.567398      1.719715      0.593486
  H      -5.815750     -2.212404     -0.110456
  H      -5.951179     -4.414133      1.078361
  H      -4.617493     -4.785544      3.152305
  H      -3.197418     -2.989805      4.060782
  H      -2.676425     -0.725473      7.836601
  H      -3.644426      0.168851      6.671274
  H      -3.922371      0.833769      9.666015
  H      -6.252048      0.667665      9.363839
  H      -5.809120     -2.392270      4.990510
  H     -10.030630     -0.620851      4.739560
  H     -11.211292      1.261802      5.888578
  H     -10.080509      2.499318      7.732637
  H      -7.808333      1.869151      8.452444
  N      -3.317198      2.725821      4.447291
  H      -4.300519      2.412418      4.538703
  H      -2.941052      2.151064      3.664675
  H      -3.335759      3.699029      4.130059
93
Coordinates from ORCA-job orca E -6201.291523730731
  N      -2.855853      4.418355      7.106705
  Mo     -2.118949      2.744785      6.331258
  N      -2.268906      1.363222      7.722411
  C      -1.280009      1.251445      8.789096
  C      -0.677416      2.622816      9.031096
  N      -0.466123      3.298977      7.721388
  C      -0.558605      4.777192      7.846753
  C      -2.014704      5.176004      8.029045
  C       0.803906      2.867262      7.074088
  C       0.720710      3.159552      5.575560
  N      -0.560246      2.711686      5.039856
  H      -2.109291      6.265958      7.854789
  H      -2.339907      5.012002      9.078102
  H      -0.173441      5.213045      6.916160
  H       0.066518      5.141552      8.681583
  H       1.564065      2.669880      5.059109
  H       0.839007      4.243760      5.401353
  H       0.885354      1.780801      7.224430
  H       1.668481      3.353247      7.562897
  H      -1.730216      0.889406      9.731423
  H      -0.503743      0.505668      8.516672
  H      -1.396254      3.226583      9.600279
  H       0.265564      2.577495      9.602362
  C      -4.267813      4.658240      7.380488
  C      -5.125598      3.653285      6.672963
  C      -5.994562      3.996441      5.693013
  C      -6.719618      3.081567      4.821629
  N      -6.126004      1.922555      4.495773
  C      -6.712959      1.154864      3.547574
  N      -7.831535      1.403957      2.887989
  C      -8.498883      2.541696      3.248635
  C      -9.739400      2.836236      2.633113
  C     -10.449642      3.962214      3.002066
  C      -9.949402      4.833943      3.995623
  C      -8.735056      4.575658      4.603957
  C      -7.981933      3.434626      4.239617
  C      -0.562671      1.457619      4.240310
  C      -1.395840      0.372513      4.852381
  C      -2.323556     -0.460082      4.273220
  C      -2.950095     -0.411276      2.984824
  N      -2.889926      0.726955      2.246649
  C      -3.579415      0.777607      1.095177
  N      -4.348117     -0.158281      0.553619
  C      -4.418727     -1.337354      1.253475
  C      -5.223885     -2.383409      0.744995
  C      -5.309819     -3.593431      1.410867
  C      -4.581881     -3.802752      2.599510
  C      -3.792802     -2.791217      3.122680
  C      -3.707669     -1.534508      2.481049
  C      -3.224605      0.252229      7.677624
  C      -4.284685      0.452676      8.716678
  C      -5.623082      0.336047      8.563325
  C      -6.310659     -0.200826      7.395909
  N      -5.687791     -1.127041      6.654390
  C      -6.384318     -1.674342      5.630569
  N      -7.640634     -1.445328      5.285205
  C      -8.284984     -0.466677      5.991329
  C      -9.599814     -0.099198      5.614814
  C     -10.238890      0.945267      6.252701
  C      -9.593026      1.653272      7.291183
  C      -8.318591      1.300018      7.692208
  C      -7.640945      0.227544      7.063014
  H      -4.561647      5.685781      7.082503
  H      -4.443312      4.585618      8.476411
  H      -5.024027      2.611606      6.983882
  H      -6.141603      5.063223      5.492489
  H      -6.185339      0.231433      3.291856
  H     -10.110391      2.143845      1.876163
  H     -11.409003      4.180160      2.529330
  H     -10.527349      5.713027      4.285214
  H      -8.361788      5.242240      5.382679
  H       0.481416      1.089163      4.191087
  H      -0.881244      1.649106      3.205293
  H      -1.082858      0.093542      5.862820
  H      -2.665966     -1.278263      4.909148
  H      -3.513617      1.728356      0.552445
  H      -5.768948     -2.197321     -0.181580
  H      -5.936329     -4.393401      1.012530
  H      -4.641598     -4.764859      3.111086
  H      -3.226169     -2.971704      4.037774
  H      -2.698660     -0.714453      7.824507
  H      -3.670420      0.197364      6.674652
  H      -3.926270      0.846901      9.673398
  H      -6.259253      0.673982      9.384843
  H      -5.837279     -2.404753      5.024975
  H     -10.061908     -0.638921      4.787413
  H     -11.240359      1.244415      5.938659
  H     -10.100369      2.492954      7.768878
  H      -7.819643      1.872276      8.475112
  N      -3.320716      2.722931      4.450578
  H      -4.298922      2.392713      4.547559
  H      -2.935237      2.162301      3.662880
  H      -3.360706      3.696450      4.136041
93
Coordinates from ORCA-job orca E -6201.291884604605
  N      -2.840355      4.433584      7.096160
  Mo     -2.110025      2.747814      6.333556
  N      -2.274486      1.372921      7.730462
  C      -1.287562      1.259945      8.799710
  C      -0.678366      2.629216      9.037272
  N      -0.459507      3.298085      7.724136
  C      -0.541436      4.778084      7.843161
  C      -1.995617      5.188659      8.018867
  C       0.811877      2.857320      7.083407
  C       0.734309      3.139434      5.582174
  N      -0.549768      2.696337      5.047045
  H      -2.081769      6.278520      7.839934
  H      -2.325321      5.030535      9.067358
  H      -0.149657      5.207493      6.912307
  H       0.083541      5.141305      8.678558
  H       1.574940      2.639773      5.071026
  H       0.861033      4.221288      5.399464
  H       0.891169      1.771971      7.242284
  H       1.676251      3.345252      7.570490
  H      -1.740381      0.902743      9.742509
  H      -0.513574      0.510309      8.531376
  H      -1.396679      3.238705      9.601027
  H       0.262617      2.582380      9.611635
  C      -4.250758      4.682841      7.364854
  C      -5.111350      3.670491      6.671196
  C      -5.988829      4.002562      5.694693
  C      -6.713247      3.072453      4.838716
  N      -6.114702      1.912288      4.524900
  C      -6.701198      1.129647      3.588592
  N      -7.822832      1.364868      2.929159
  C      -8.494278      2.504281      3.276815
  C      -9.736458      2.786595      2.659069
  C     -10.450133      3.914768      3.014965
  C      -9.952188      4.800003      3.997566
  C      -8.736233      4.553689      4.607731
  C      -7.978983      3.411246      4.255663
  C      -0.558424      1.442141      4.247496
  C      -1.420492      0.373810      4.849945
  C      -2.353798     -0.445742      4.259305
  C      -2.954968     -0.395102      2.960294
  N      -2.863333      0.737536      2.216229
  C      -3.524342      0.788052      1.048077
  N      -4.292109     -0.141904      0.494708
  C      -4.395386     -1.314448      1.201255
  C      -5.201586     -2.354145      0.681404
  C      -5.319147     -3.557759      1.354224
  C      -4.622528     -3.767777      2.561307
  C      -3.832485     -2.762622      3.095390
  C      -3.716567     -1.511889      2.446872
  C      -3.239525      0.269885      7.689828
  C      -4.297715      0.478827      8.729791
  C      -5.635623      0.357708      8.578676
  C      -6.322866     -0.197519      7.419048
  N      -5.699788     -1.136214      6.694196
  C      -6.398130     -1.702865      5.681563
  N      -7.653656     -1.478132      5.331329
  C      -8.297320     -0.485303      6.018426
  C      -9.610833     -0.122046      5.634206
  C     -10.248920      0.933422      6.255131
  C      -9.603001      1.657301      7.282509
  C      -8.329158      1.309279      7.690132
  C      -7.652784      0.225718      7.078673
  H      -4.542811      5.707083      7.053927
  H      -4.429665      4.625402      8.461378
  H      -5.010642      2.630933      6.989049
  H      -6.142367      5.065847      5.482135
  H      -6.168642      0.206014      3.344026
  H     -10.105771      2.083633      1.911096
  H     -11.410638      4.123783      2.540479
  H     -10.533232      5.680304      4.277216
  H      -8.364439      5.230702      5.378076
  H       0.479566      1.055610      4.213951
  H      -0.858202      1.638177      3.207464
  H      -1.123854      0.087498      5.863218
  H      -2.720104     -1.254636      4.893822
  H      -3.431717      1.733635      0.500210
  H      -5.721849     -2.168902     -0.259505
  H      -5.946565     -4.352449      0.946735
  H      -4.706673     -4.725330      3.078041
  H      -3.287789     -2.943036      4.024007
  H      -2.720837     -0.700793      7.835735
  H      -3.688511      0.219031      6.687984
  H      -3.938512      0.882836      9.682016
  H      -6.272792      0.702652      9.396605
  H      -5.853649     -2.446593      5.090106
  H     -10.073216     -0.674733      4.815581
  H     -11.250149      1.228268      5.936239
  H     -10.109945      2.505124      7.746099
  H      -7.829051      1.893378      8.463536
  N      -3.318768      2.724866      4.452753
  H      -4.297719      2.398866      4.557658
  H      -2.935155      2.165268      3.664151
  H      -3.360262      3.697659      4.135552
93
Coordinates from ORCA-job orca E -6201.292198539687
  N      -2.824779      4.449760      7.081075
  Mo     -2.100333      2.752807      6.329628
  N      -2.282724      1.381527      7.728158
  C      -1.299911      1.264562      8.801610
  C      -0.684978      2.631508      9.039648
  N      -0.455769      3.296109      7.725265
  C      -0.526256      4.777521      7.841075
  C      -1.978328      5.200509      8.007098
  C       0.818117      2.846954      7.093038
  C       0.749645      3.121304      5.589603
  N      -0.536064      2.683522      5.050968
  H      -2.054829      6.290430      7.824430
  H      -2.315221      5.047513      9.053970
  H      -0.125168      5.202203      6.911999
  H       0.096651      5.137214      8.679462
  H       1.588692      2.612607      5.085024
  H       0.884970      4.200991      5.400542
  H       0.894316      1.762430      7.258554
  H       1.681352      3.335500      7.581338
  H      -1.757213      0.909801      9.743055
  H      -0.527761      0.511776      8.536904
  H      -1.404240      3.245220      9.597622
  H       0.252618      2.582164      9.619194
  C      -4.233590      4.711449      7.341510
  C      -5.098218      3.692653      6.662154
  C      -5.981876      4.013565      5.687029
  C      -6.708541      3.068833      4.848664
  N      -6.112997      1.901073      4.557081
  C      -6.701150      1.101944      3.635718
  N      -7.821087      1.327759      2.970323
  C      -8.489521      2.475728      3.295136
  C      -9.729249      2.750616      2.669395
  C     -10.440083      3.887358      3.003521
  C      -9.941967      4.787966      3.971819
  C      -8.728168      4.548991      4.589211
  C      -7.973359      3.398371      4.258525
  C      -0.548087      1.427843      4.253990
  C      -1.433865      0.374508      4.848828
  C      -2.372870     -0.432585      4.249450
  C      -2.952676     -0.380194      2.941947
  N      -2.836557      0.748503      2.195021
  C      -3.472574      0.798274      1.012945
  N      -4.236501     -0.128145      0.448068
  C      -4.365833     -1.295538      1.158687
  C      -5.169941     -2.331359      0.627931
  C      -5.312196     -3.529894      1.305218
  C      -4.642804     -3.739531      2.527629
  C      -3.854783     -2.738413      3.072223
  C      -3.715374     -1.492301      2.419369
  C      -3.256488      0.286268      7.686199
  C      -4.308323      0.493238      8.733649
  C      -5.646273      0.365339      8.591266
  C      -6.338794     -0.195582      7.436987
  N      -5.714599     -1.130192      6.708368
  C      -6.418895     -1.704336      5.703497
  N      -7.678643     -1.488746      5.363617
  C      -8.323802     -0.499078      6.054245
  C      -9.642904     -0.145512      5.681214
  C     -10.283019      0.905303      6.308232
  C      -9.633392      1.634129      7.329640
  C      -8.353266      1.295915      7.725784
  C      -7.674747      0.217161      7.108060
  H      -4.521252      5.732157      7.015115
  H      -4.417901      4.671953      8.438141
  H      -5.000744      2.655740      6.989137
  H      -6.138608      5.073051      5.459420
  H      -6.170562      0.171859      3.411809
  H     -10.099077      2.035475      1.933351
  H     -11.398694      4.091100      2.522964
  H     -10.521183      5.674665      4.234585
  H      -8.355973      5.237978      5.348620
  H       0.484628      1.026808      4.236256
  H      -0.830373      1.624835      3.208983
  H      -1.151600      0.082449      5.864515
  H      -2.760118     -1.232579      4.882789
  H      -3.359652      1.740385      0.462789
  H      -5.668581     -2.147859     -0.324944
  H      -5.938088     -4.321251      0.888944
  H      -4.745890     -4.693576      3.047424
  H      -3.328567     -2.917883      4.011950
  H      -2.743840     -0.689204      7.820413
  H      -3.712438      0.247594      6.686785
  H      -3.944259      0.898105      9.683538
  H      -6.280470      0.704848      9.413849
  H      -5.875664     -2.445789      5.108213
  H     -10.108683     -0.701780      4.866993
  H     -11.289437      1.192434      5.998795
  H     -10.142737      2.478122      7.797563
  H      -7.849749      1.883417      8.494396
  N      -3.313488      2.727938      4.447517
  H      -4.288066      2.389148      4.556305
  H      -2.922166      2.180799      3.654754
  H      -3.370939      3.701457      4.134813
93
Coordinates from ORCA-job orca E -6201.292479041479
  N      -2.801413      4.472823      7.068134
  Mo     -2.089490      2.761585      6.328580
  N      -2.293707      1.396227      7.730021
  C      -1.314773      1.273266      8.806936
  C      -0.688806      2.635795      9.042641
  N      -0.448178      3.292977      7.725683
  C      -0.501329      4.775899      7.836256
  C      -1.949079      5.216659      7.995158
  C       0.825447      2.829876      7.100967
  C       0.765152      3.095959      5.595443
  N      -0.524371      2.667728      5.055762
  H      -2.012192      6.306667      7.808180
  H      -2.291469      5.070682      9.041172
  H      -0.091127      5.192754      6.907540
  H       0.122405      5.130695      8.675993
  H       1.599709      2.574616      5.096607
  H       0.912704      4.172729      5.399233
  H       0.894510      1.746061      7.273818
  H       1.689866      3.316269      7.589087
  H      -1.776794      0.923887      9.747966
  H      -0.547431      0.514311      8.545983
  H      -1.406007      3.257584      9.594376
  H       0.245769      2.581386      9.626428
  C      -4.207030      4.750871      7.321953
  C      -5.078934      3.725744      6.661646
  C      -5.972053      4.034714      5.690945
  C      -6.702677      3.074846      4.873025
  N      -6.106198      1.903839      4.595356
  C      -6.697794      1.089670      3.689314
  N      -7.820956      1.303601      3.025611
  C      -8.490117      2.455072      3.336569
  C      -9.732384      2.719343      2.711430
  C     -10.443680      3.859632      3.032658
  C      -9.943736      4.773820      3.987085
  C      -8.727237      4.545414      4.603191
  C      -7.971516      3.391745      4.284750
  C      -0.544883      1.411446      4.259938
  C      -1.454461      0.373479      4.846502
  C      -2.399337     -0.420694      4.238372
  C      -2.956943     -0.367887      2.922239
  N      -2.818267      0.756877      2.172972
  C      -3.427774      0.803511      0.976725
  N      -4.184768     -0.121520      0.400001
  C      -4.338521     -1.283493      1.114520
  C      -5.137211     -2.317698      0.572461
  C      -5.301939     -3.511079      1.253867
  C      -4.660795     -3.718023      2.491753
  C      -3.878090     -2.718758      3.047321
  C      -3.717638     -1.477222      2.390312
  C      -3.279775      0.312432      7.687801
  C      -4.330246      0.526090      8.735789
  C      -5.667159      0.388026      8.596119
  C      -6.356637     -0.196530      7.451178
  N      -5.728182     -1.142859      6.742053
  C      -6.431555     -1.741615      5.750436
  N      -7.691700     -1.537486      5.405975
  C      -8.340468     -0.534792      6.074442
  C      -9.660057     -0.192787      5.693308
  C     -10.303544      0.868353      6.299382
  C      -9.656875      1.619402      7.306387
  C      -8.375851      1.293353      7.709870
  C      -7.693977      0.204451      7.113776
  H      -4.488816      5.767242      6.977337
  H      -4.394859      4.733143      8.418753
  H      -4.984814      2.692071      6.999054
  H      -6.133208      5.089955      5.448092
  H      -6.165060      0.157920      3.477503
  H     -10.103744      1.993541      1.986701
  H     -11.404221      4.055534      2.552689
  H     -10.523724      5.662902      4.240003
  H      -8.353284      5.244888      5.352056
  H       0.481238      0.993739      4.255905
  H      -0.810640      1.611354      3.210960
  H      -1.184924      0.073934      5.863441
  H      -2.806938     -1.211782      4.870104
  H      -3.296648      1.742108      0.424517
  H      -5.613420     -2.137823     -0.392514
  H      -5.923697     -4.300859      0.828429
  H      -4.780973     -4.668562      3.014324
  H      -3.370922     -2.895758      3.998302
  H      -2.777608     -0.669099      7.817056
  H      -3.738134      0.282995      6.689064
  H      -3.967012      0.943735      9.680320
  H      -6.303867      0.732966      9.414563
  H      -5.886922     -2.494399      5.170967
  H     -10.123923     -0.766701      4.890342
  H     -11.310939      1.145846      5.984355
  H     -10.169540      2.470677      7.757205
  H      -7.873879      1.897078      8.466837
  N      -3.312398      2.738267      4.447623
  H      -4.283664      2.392425      4.565427
  H      -2.918700      2.198904      3.651466
  H      -3.381592      3.711747      4.137320
93
Coordinates from ORCA-job orca E -6201.292705610060
  N      -2.777584      4.493894      7.052042
  Mo     -2.077201      2.768054      6.326085
  N      -2.305049      1.409808      7.731457
  C      -1.330421      1.280422      8.812320
  C      -0.692953      2.638335      9.046612
  N      -0.440239      3.288693      7.727447
  C      -0.477687      4.773262      7.833093
  C      -1.921457      5.230800      7.982193
  C       0.834193      2.812217      7.111995
  C       0.783960      3.069191      5.604271
  N      -0.509001      2.650892      5.062221
  H      -1.971076      6.320895      7.791752
  H      -2.271106      5.091176      9.026651
  H      -0.057204      5.182228      6.905412
  H       0.145170      5.123578      8.675278
  H       1.614176      2.534429      5.112648
  H       0.944545      4.142681      5.400772
  H       0.895738      1.729241      7.292457
  H       1.699023      3.296620      7.601194
  H      -1.797959      0.936625      9.752623
  H      -0.568288      0.514963      8.555302
  H      -1.407505      3.268540      9.592209
  H       0.238386      2.578060      9.634825
  C      -4.181094      4.786611      7.296209
  C      -5.058856      3.755165      6.653610
  C      -5.959900      4.051093      5.686078
  C      -6.691890      3.075011      4.888566
  N      -6.093126      1.900575      4.629943
  C      -6.686760      1.067761      3.742315
  N      -7.812830      1.266300      3.079055
  C      -8.483861      2.421765      3.371028
  C      -9.728980      2.671410      2.745660
  C     -10.442377      3.815215      3.049436
  C      -9.941980      4.747142      3.986227
  C      -8.722631      4.533176      4.601876
  C      -7.964449      3.376472      4.300404
  C      -0.537989      1.394450      4.266913
  C      -1.474176      0.374688      4.843916
  C      -2.425548     -0.404281      4.225789
  C      -2.958792     -0.349799      2.900407
  N      -2.792595      0.769953      2.149009
  C      -3.375119      0.815191      0.939193
  N      -4.128323     -0.105727      0.350851
  C      -4.310662     -1.261502      1.068645
  C      -5.107221     -2.291368      0.515203
  C      -5.298919     -3.478690      1.200123
  C      -4.687637     -3.684511      2.453204
  C      -3.907191     -2.689712      3.019770
  C      -3.720623     -1.453854      2.358892
  C      -3.303608      0.337734      7.689079
  C      -4.351585      0.558074      8.738659
  C      -5.687745      0.410492      8.604404
  C      -6.377020     -0.192116      7.468279
  N      -5.744432     -1.143127      6.769453
  C      -6.448325     -1.760236      5.789148
  N      -7.710707     -1.568648      5.446583
  C      -8.363557     -0.560711      6.103387
  C      -9.686481     -0.231969      5.722717
  C     -10.334396      0.832469      6.318252
  C      -9.689101      1.600158      7.313463
  C      -8.404542      1.287550      7.716260
  C      -7.718062      0.195652      7.130835
  H      -4.456895      5.798131      6.932987
  H      -4.373627      4.790199      8.392500
  H      -4.966938      2.724868      7.001685
  H      -6.125299      5.101693      5.427088
  H      -6.151400      0.134067      3.546465
  H     -10.100815      1.931819      2.035290
  H     -11.405050      4.000073      2.569381
  H     -10.523955      5.638651      4.225699
  H      -8.348088      5.246391      5.337356
  H       0.480472      0.958675      4.278642
  H      -0.785072      1.597637      3.213924
  H      -1.221208      0.070013      5.863633
  H      -2.856416     -1.184787      4.855240
  H      -3.222076      1.749171      0.384743
  H      -5.559844     -2.113682     -0.461465
  H      -5.918977     -4.264823      0.765518
  H      -4.828640     -4.630757      2.978345
  H      -3.420875     -2.865780      3.981967
  H      -2.812439     -0.649932      7.813246
  H      -3.764534      0.317381      6.691061
  H      -3.987579      0.987029      9.677703
  H      -6.324842      0.758548      9.421275
  H      -5.902205     -2.519038      5.219123
  H     -10.149799     -0.818793      4.928857
  H     -11.344817      1.099425      6.003868
  H     -10.205968      2.453476      7.755501
  H      -7.903323      1.903167      8.464101
  N      -3.306333      2.748325      4.442681
  H      -4.275843      2.400223      4.568381
  H      -2.912001      2.212246      3.645308
  H      -3.381387      3.721638      4.133389
93
Coordinates from ORCA-job orca E -6201.292915806496
  N      -2.751670      4.516915      7.038323
  Mo     -2.066059      2.777590      6.321471
  N      -2.317927      1.424064      7.727577
  C      -1.348155      1.285767      8.812335
  C      -0.697495      2.637778      9.047057
  N      -0.432403      3.282899      7.726796
  C      -0.451687      4.768625      7.830252
  C      -1.890273      5.244476      7.971623
  C       0.841340      2.792471      7.118764
  C       0.800304      3.044029      5.609660
  N      -0.496337      2.637625      5.064931
  H      -1.925173      6.334790      7.779276
  H      -2.246235      5.110410      9.014653
  H      -0.021231      5.170610      6.904057
  H       0.171422      5.111935      8.675037
  H       1.625361      2.496615      5.123516
  H       0.974346      4.114447      5.401481
  H       0.893608      1.709874      7.304037
  H       1.707631      3.272253      7.609748
  H      -1.821806      0.947056      9.751379
  H      -0.592368      0.513122      8.558323
  H      -1.408278      3.276558      9.587583
  H       0.230610      2.569638      9.639346
  C      -4.152026      4.827230      7.274281
  C      -5.038774      3.792192      6.649984
  C      -5.947804      4.077634      5.686626
  C      -6.685786      3.088434      4.910870
  N      -6.089851      1.908309      4.671200
  C      -6.689580      1.059492      3.802997
  N      -7.818475      1.246980      3.141652
  C      -8.486371      2.408968      3.414801
  C      -9.733898      2.648975      2.790593
  C     -10.444299      3.799174      3.076936
  C      -9.938577      4.746942      3.994687
  C      -8.716660      4.542533      4.608504
  C      -7.961279      3.379631      4.324089
  C      -0.534042      1.380922      4.270808
  C      -1.490099      0.376290      4.842051
  C      -2.447103     -0.390745      4.217760
  C      -2.962784     -0.335642      2.885895
  N      -2.782423      0.782598      2.135507
  C      -3.345688      0.825692      0.916350
  N      -4.090507     -0.095544      0.317823
  C      -4.286993     -1.249164      1.035293
  C      -5.075306     -2.279791      0.471494
  C      -5.279297     -3.465127      1.156291
  C      -4.688698     -3.668745      2.419598
  C      -3.916308     -2.673474      2.996148
  C      -3.718737     -1.439259      2.335322
  C      -3.329316      0.364566      7.683045
  C      -4.376157      0.592250      8.732596
  C      -5.711079      0.432136      8.603155
  C      -6.397363     -0.196811      7.479224
  N      -5.760455     -1.160209      6.801835
  C      -6.463546     -1.804565      5.838325
  N      -7.726989     -1.626989      5.492916
  C      -8.383732     -0.606261      6.125884
  C      -9.708345     -0.292271      5.739155
  C     -10.360153      0.782704      6.311060
  C      -9.717418      1.575964      7.287666
  C      -8.431120      1.278449      7.696216
  C      -7.740620      0.176383      7.134877
  H      -4.419689      5.834249      6.892899
  H      -4.347797      4.852568      8.369838
  H      -4.950643      2.765221      7.008584
  H      -6.115033      5.123919      5.412250
  H      -6.156002      0.121582      3.623322
  H     -10.109976      1.897101      2.095555
  H     -11.408799      3.976802      2.597853
  H     -10.518487      5.643305      4.220666
  H      -8.337694      5.268158      5.329425
  H       0.477728      0.930408      4.294513
  H      -0.767182      1.585754      3.214929
  H      -1.248240      0.068034      5.863444
  H      -2.893413     -1.164048      4.845346
  H      -3.182249      1.758240      0.362461
  H      -5.511511     -2.104890     -0.513117
  H      -5.892969     -4.251649      0.713399
  H      -4.838926     -4.613791      2.944319
  H      -3.443753     -2.847813      3.965674
  H      -2.850133     -0.629484      7.802397
  H      -3.791167      0.353790      6.685070
  H      -4.013359      1.037411      9.664434
  H      -6.350166      0.787041      9.415544
  H      -5.915561     -2.575617      5.286972
  H     -10.170161     -0.899222      4.959718
  H     -11.372194      1.037763      5.992103
  H     -10.237914      2.436787      7.710430
  H      -7.931484      1.912669      8.429419
  N      -3.304015      2.763918      4.437636
  H      -4.269297      2.406781      4.571396
  H      -2.907395      2.235735      3.636892
  H      -3.390788      3.737592      4.133079
93
Coordinates from ORCA-job orca E -6201.293129640645
  N      -2.723624      4.540812      7.021861
  Mo     -2.054679      2.785576      6.319429
  N      -2.331594      1.441534      7.730409
  C      -1.367066      1.296874      8.819512
  C      -0.702025      2.642857      9.050853
  N      -0.423747      3.278310      7.727784
  C      -0.424086      4.765276      7.824385
  C      -1.856847      5.260656      7.956628
  C       0.848457      2.770624      7.128908
  C       0.817266      3.012901      5.617940
  N      -0.483348      2.619413      5.071182
  H      -1.876112      6.350569      7.759935
  H      -2.219259      5.134978      8.998492
  H       0.016414      5.156734      6.898361
  H       0.199459      5.103845      8.670666
  H       1.636218      2.450494      5.138817
  H       1.006483      4.079294      5.402830
  H       0.889563      1.688927      7.321766
  H       1.716777      3.245668      7.620750
  H      -1.847404      0.966607      9.758150
  H      -0.618436      0.515636      8.570875
  H      -1.407950      3.292755      9.584431
  H       0.222693      2.567427      9.647385
  C      -4.120757      4.869119      7.247954
  C      -5.016465      3.830288      6.643231
  C      -5.931774      4.103848      5.682420
  C      -6.674415      3.100377      4.929813
  N      -6.080152      1.914833      4.712862
  C      -6.685486      1.047025      3.867689
  N      -7.817514      1.220387      3.208189
  C      -8.482849      2.389233      3.457984
  C      -9.733039      2.616572      2.834481
  C     -10.441108      3.773488      3.098796
  C      -9.930486      4.740569      3.993308
  C      -8.705866      4.548626      4.605779
  C      -7.952639      3.379198      4.343109
  C      -0.532244      1.362905      4.277342
  C      -1.512652      0.376654      4.839720
  C      -2.475152     -0.375825      4.205955
  C      -2.968403     -0.319137      2.865935
  N      -2.765046      0.795319      2.115744
  C      -3.304885      0.837680      0.885852
  N      -4.045071     -0.080180      0.276494
  C      -4.264433     -1.229464      0.994304
  C      -5.048898     -2.256945      0.419416
  C      -5.273989     -3.438173      1.104657
  C      -4.708818     -3.641301      2.379632
  C      -3.940448     -2.649280      2.966903
  C      -3.722757     -1.418813      2.305433
  C      -3.354532      0.393636      7.685653
  C      -4.402129      0.630372      8.732753
  C      -5.735350      0.456307      8.606801
  C      -6.416163     -0.197653      7.493590
  N      -5.769589     -1.165329      6.831729
  C      -6.467974     -1.834580      5.881677
  N      -7.733610     -1.676627      5.535490
  C      -8.400090     -0.651581      6.151217
  C      -9.728588     -0.358466      5.761727
  C     -10.390462      0.719442      6.316179
  C      -9.754435      1.536659      7.277316
  C      -8.464447      1.259893      7.688647
  C      -7.763677      0.155269      7.145215
  H      -4.379513      5.870671      6.846574
  H      -4.319713      4.918014      8.342244
  H      -4.932536      2.807480      7.014673
  H      -6.099504      5.145153      5.390311
  H      -6.153122      0.104925      3.707219
  H     -10.112992      1.849879      2.158017
  H     -11.407589      3.941500      2.620270
  H     -10.508781      5.642107      4.202175
  H      -8.322881      5.289434      5.308911
  H       0.470986      0.894611      4.314546
  H      -0.748725      1.570764      3.218556
  H      -1.285995      0.064875      5.863578
  H      -2.941288     -1.140152      4.830145
  H      -3.123526      1.766674      0.331560
  H      -5.464877     -2.083498     -0.574171
  H      -5.884538     -4.222087      0.652910
  H      -4.875272     -4.583502      2.904546
  H      -3.485939     -2.823340      3.945168
  H      -2.886560     -0.605745      7.804315
  H      -3.815385      0.388323      6.687013
  H      -4.042250      1.092574      9.657322
  H      -6.377734      0.816351      9.414338
  H      -5.913197     -2.610343      5.343947
  H     -10.185696     -0.983795      4.994164
  H     -11.405818      0.958080      5.995119
  H     -10.283415      2.399224      7.685713
  H      -7.969940      1.911459      8.410014
  N      -3.300828      2.774982      4.434473
  H      -4.262979      2.412751      4.577286
  H      -2.904019      2.250001      3.632310
  H      -3.395532      3.748231      4.131598
93
Coordinates from ORCA-job orca E -6201.293467585066
  N      -2.692403      4.566771      7.003659
  Mo     -2.043016      2.794855      6.315114
  N      -2.347225      1.460287      7.730117
  C      -1.388932      1.308017      8.824367
  C      -0.707646      2.646833      9.053039
  N      -0.414581      3.272546      7.727558
  C      -0.393780      4.760570      7.818109
  C      -1.819707      5.277340      7.940647
  C       0.855574      2.746546      7.138150
  C       0.834750      2.980089      5.625414
  N      -0.469953      2.600786      5.076008
  H      -1.821638      6.366719      7.740163
  H      -2.189079      5.160257      8.981095
  H       0.057636      5.141066      6.892742
  H       0.230214      5.093051      8.666377
  H       1.646896      2.402104      5.153470
  H       1.040295      4.042061      5.403848
  H       0.884318      1.665799      7.338090
  H       1.726190      3.215741      7.631396
  H      -1.877122      0.986896      9.762133
  H      -0.648533      0.517215      8.581603
  H      -1.407800      3.308790      9.579314
  H       0.213131      2.562657      9.654329
  C      -4.085703      4.915515      7.219411
  C      -4.992645      3.874814      6.635089
  C      -5.914700      4.138296      5.677951
  C      -6.665882      3.122503      4.950828
  N      -6.076416      1.930542      4.755918
  C      -6.691652      1.044983      3.936807
  N      -7.828447      1.206148      3.282819
  C      -8.487936      2.383080      3.509855
  C      -9.742084      2.600069      2.890766
  C     -10.444408      3.765218      3.133512
  C      -9.924058      4.750904      4.001624
  C      -8.695437      4.569096      4.609204
  C      -7.947804      3.391511      4.367714
  C      -0.529940      1.344025      4.283389
  C      -1.532922      0.376656      4.839150
  C      -2.500697     -0.362548      4.197835
  C      -2.973690     -0.305275      2.850680
  N      -2.751928      0.806314      2.101502
  C      -3.269819      0.846608      0.861976
  N      -4.002949     -0.070029      0.242362
  C      -4.240258     -1.216077      0.959656
  C      -5.017501     -2.243014      0.373985
  C      -5.258033     -3.421547      1.058573
  C      -4.715789     -3.622974      2.343752
  C      -3.954936     -2.631539      2.941547
  C      -3.722986     -1.403409      2.280573
  C      -3.381955      0.424458      7.683536
  C      -4.431971      0.670690      8.726299
  C      -5.762957      0.480086      8.603064
  C      -6.435737     -0.202899      7.502173
  N      -5.777443     -1.175683      6.859616
  C      -6.468948     -1.873641      5.925179
  N      -7.736585     -1.738754      5.577257
  C      -8.414857     -0.708765      6.171547
  C      -9.747137     -0.440031      5.777626
  C     -10.420975      0.641682      6.309631
  C      -9.793745      1.487275      7.251870
  C      -8.500332      1.234628      7.667786
  C      -7.787412      0.126568      7.147538
  H      -4.333661      5.911361      6.797540
  H      -4.287320      4.989209      8.311923
  H      -4.914188      2.856204      7.019420
  H      -6.081544      5.174674      5.368600
  H      -6.162674      0.098086      3.794220
  H     -10.129596      1.819151      2.235215
  H     -11.413858      3.925399      2.658346
  H     -10.498021      5.658907      4.193764
  H      -8.304674      5.324649      5.292076
  H       0.464585      0.858741      4.333669
  H      -0.730909      1.553490      3.221931
  H      -1.319696      0.063004      5.865391
  H      -2.983904     -1.118567      4.819199
  H      -3.074388      1.772826      0.307838
  H      -5.415055     -2.071946     -0.627537
  H      -5.862764     -4.204940      0.598178
  H      -4.893928     -4.563417      2.867949
  H      -3.516504     -2.804322      3.927396
  H      -2.925974     -0.580368      7.802156
  H      -3.840171      0.424631      6.683455
  H      -4.077012      1.152904      9.642459
  H      -6.410175      0.846524      9.403846
  H      -5.905530     -2.654549      5.404209
  H     -10.197899     -1.087120      5.024508
  H     -11.439541      0.861143      5.985114
  H     -10.332639      2.352202      7.641865
  H      -8.012549      1.906841      8.374616
  N      -3.298146      2.789239      4.428868
  H      -4.256750      2.421281      4.581235
  H      -2.901419      2.267849      3.625058
  H      -3.401404      3.762146      4.128341
93
Coordinates from ORCA-job orca E -6201.294338157679
  N      -2.660418      4.590907      6.981364
  Mo     -2.032214      2.801609      6.310374
  N      -2.361321      1.479997      7.733872
  C      -1.410072      1.324297      8.835162
  C      -0.713050      2.656902      9.058137
  N      -0.403887      3.269466      7.729180
  C      -0.362837      4.759080      7.810071
  C      -1.782715      5.296572      7.919868
  C       0.864100      2.723651      7.150644
  C       0.853821      2.944215      5.634728
  N      -0.454031      2.576394      5.081018
  H      -1.767875      6.384520      7.712381
  H      -2.160002      5.191308      8.958805
  H       0.099743      5.126301      6.884857
  H       0.260638      5.088162      8.659968
  H       1.660038      2.350686      5.172069
  H       1.074880      4.001300      5.404969
  H       0.880205      1.644500      7.360183
  H       1.736838      3.188078      7.644595
  H      -1.907352      1.015248      9.772281
  H      -0.677655      0.523397      8.601547
  H      -1.407636      3.332383      9.574482
  H       0.203022      2.565576      9.665442
  C      -4.051151      4.961660      7.185125
  C      -4.969444      3.918249      6.622489
  C      -5.897483      4.169974      5.668243
  C      -6.658737      3.142499      4.968917
  N      -6.075560      1.943663      4.797430
  C      -6.702889      1.040586      4.007471
  N      -7.845755      1.189761      3.361416
  C      -8.497703      2.375351      3.564502
  C      -9.756822      2.582266      2.952218
  C     -10.451878      3.756408      3.171795
  C      -9.919081      4.761364      4.009671
  C      -8.685420      4.589404      4.610041
  C      -7.944953      3.402877      4.391303
  C      -0.521280      1.317365      4.290003
  C      -1.544611      0.368103      4.840828
  C      -2.518950     -0.356110      4.193722
  C      -2.976005     -0.292750      2.840437
  N      -2.731837      0.816556      2.095350
  C      -3.230984      0.862224      0.848206
  N      -3.964549     -0.046426      0.217739
  C      -4.224986     -1.189675      0.931429
  C      -5.004082     -2.208539      0.334142
  C      -5.266909     -3.384403      1.015047
  C      -4.745910     -3.591253      2.308215
  C      -3.983746     -2.607687      2.917078
  C      -3.729296     -1.382254      2.259792
  C      -3.406212      0.453374      7.689122
  C      -4.461390      0.713761      8.723194
  C      -5.789877      0.505696      8.599517
  C      -6.449800     -0.210432      7.511659
  N      -5.776514     -1.189135      6.893501
  C      -6.455863     -1.918760      5.974647
  N      -7.724229     -1.809820      5.620200
  C      -8.417699     -0.774827      6.187469
  C      -9.752370     -0.533676      5.783609
  C     -10.441838      0.551977      6.286450
  C      -9.828505      1.429339      7.208733
  C      -8.533350      1.203949      7.634708
  C      -7.804513      0.092517      7.144747
  H      -4.286867      5.950651      6.740738
  H      -4.254731      5.062646      8.275105
  H      -4.896183      2.904991      7.022392
  H      -6.061956      5.201125      5.340633
  H      -6.179322      0.088008      3.882935
  H     -10.153970      1.786682      2.320482
  H     -11.425085      3.908847      2.701770
  H     -10.487292      5.676554      4.184032
  H      -8.284951      5.360397      5.269673
  H       0.465114      0.817173      4.352898
  H      -0.707934      1.527414      3.226241
  H      -1.343439      0.054654      5.869639
  H      -3.019394     -1.103431      4.812048
  H      -3.017249      1.785907      0.296791
  H      -5.384701     -2.033685     -0.673318
  H      -5.872856     -4.161532      0.545695
  H      -4.941718     -4.529680      2.829700
  H      -3.561515     -2.784493      3.908808
  H      -2.960903     -0.555320      7.814201
  H      -3.859659      0.452375      6.686479
  H      -4.114243      1.220626      9.629064
  H      -6.444623      0.882178      9.389429
  H      -5.880285     -2.705000      5.475153
  H     -10.192582     -1.205183      5.045760
  H     -11.462280      0.749816      5.953951
  H     -10.379671      2.296878      7.575107
  H      -8.056391      1.899731      8.325909
  N      -3.293582      2.795835      4.421403
  H      -4.249632      2.424642      4.581115
  H      -2.897369      2.273590      3.618178
  H      -3.403169      3.767590      4.119017
93
Coordinates from ORCA-job orca E -6201.294916432941
  N      -2.638776      4.599469      6.957000
  Mo     -2.022728      2.799996      6.303753
  N      -2.366318      1.491344      7.734736
  C      -1.424402      1.340061      8.843209
  C      -0.721148      2.669599      9.060116
  N      -0.397709      3.269515      7.730375
  C      -0.346766      4.758669      7.801368
  C      -1.763108      5.307468      7.895268
  C       0.868873      2.712305      7.163804
  C       0.867362      2.919824      5.646383
  N      -0.437261      2.552132      5.088099
  H      -1.738462      6.393206      7.677744
  H      -2.149131      5.214895      8.932158
  H       0.126035      5.115682      6.877365
  H       0.272227      5.088957      8.653993
  H       1.673918      2.318957      5.193990
  H       1.094170      3.973894      5.408420
  H       0.877942      1.634994      7.382918
  H       1.741528      3.176366      7.658191
  H      -1.930940      1.042308      9.779060
  H      -0.695542      0.532581      8.621770
  H      -1.414968      3.354290      9.565202
  H       0.189542      2.577104      9.675260
  C      -4.027898      4.988565      7.143470
  C      -4.951127      3.939196      6.599726
  C      -5.880879      4.174298      5.643087
  C      -6.648419      3.135232      4.968543
  N      -6.071337      1.930126      4.820837
  C      -6.710028      1.011246      4.058868
  N      -7.858461      1.149470      3.420116
  C      -8.503180      2.342827      3.599429
  C      -9.767130      2.540145      2.994067
  C     -10.455156      3.722510      3.190693
  C      -9.910186      4.745464      3.998359
  C      -8.671702      4.582718      4.591460
  C      -7.938220      3.387905      4.395353
  C      -0.501092      1.290944      4.303751
  C      -1.533265      0.351833      4.854701
  C      -2.514338     -0.357994      4.201951
  C      -2.963352     -0.278374      2.844910
  N      -2.683963      0.827939      2.107971
  C      -3.167121      0.893938      0.855545
  N      -3.917155      0.008587      0.212197
  C      -4.217183     -1.130113      0.917437
  C      -5.019629     -2.122082      0.306003
  C      -5.326636     -3.292188      0.977945
  C      -4.828964     -3.519616      2.276634
  C      -4.044082     -2.562773      2.898939
  C      -3.741648     -1.343380      2.250616
  C      -3.416043      0.470192      7.695661
  C      -4.476832      0.750438      8.718876
  C      -5.803749      0.531079      8.596606
  C      -6.456002     -0.215881      7.525067
  N      -5.773630     -1.203058      6.930642
  C      -6.445590     -1.960672      6.029416
  N      -7.714857     -1.872460      5.672087
  C      -8.417875     -0.830403      6.213992
  C      -9.754522     -0.611179      5.804017
  C     -10.453427      0.481277      6.278262
  C      -9.847923      1.387446      7.177650
  C      -8.551383      1.183612      7.610201
  C      -7.812954      0.066016      7.149709
  H      -4.251281      5.969180      6.675020
  H      -4.236504      5.116790      8.229525
  H      -4.881034      2.932804      7.017956
  H      -6.043564      5.199385      5.295987
  H      -6.192709      0.053079      3.952627
  H     -10.173617      1.730909      2.386032
  H     -11.432059      3.867607      2.726029
  H     -10.472651      5.667363      4.155164
  H      -8.261827      5.368185      5.227857
  H       0.482990      0.787904      4.377936
  H      -0.680088      1.495137      3.237796
  H      -1.342586      0.042610      5.886777
  H      -3.031287     -1.097555      4.816072
  H      -2.922234      1.814399      0.311552
  H      -5.382878     -1.930771     -0.704872
  H      -5.950755     -4.048174      0.498009
  H      -5.061649     -4.452807      2.792313
  H      -3.643872     -2.755650      3.895587
  H      -2.977992     -0.539578      7.835581
  H      -3.863326      0.460191      6.690248
  H      -4.135739      1.282812      9.612407
  H      -6.463116      0.923201      9.374958
  H      -5.862254     -2.753518      5.549648
  H     -10.188611     -1.304981      5.083350
  H     -11.475234      0.662052      5.940235
  H     -10.406135      2.259982      7.520797
  H      -8.080476      1.901155      8.283063
  N      -3.276520      2.785282      4.413231
  H      -4.232154      2.414826      4.574184
  H      -2.879087      2.255140      3.615332
  H      -3.387549      3.754307      4.101815
93
Coordinates from ORCA-job orca E -6201.295529573244
  N      -2.608332      4.613168      6.931679
  Mo     -2.012278      2.800191      6.301522
  N      -2.372287      1.509372      7.742600
  C      -1.442716      1.366314      8.861048
  C      -0.729647      2.691529      9.066951
  N      -0.387958      3.271617      7.734942
  C      -0.321782      4.759941      7.789836
  C      -1.732053      5.325299      7.865250
  C       0.873848      2.694969      7.182239
  C       0.881769      2.885514      5.663310
  N      -0.420624      2.521498      5.101086
  H      -1.693857      6.407341      7.632035
  H      -2.126813      5.252606      8.900414
  H       0.162545      5.101324      6.865928
  H       0.293775      5.092779      8.643921
  H       1.687020      2.274202      5.222632
  H       1.118103      3.935286      5.415402
  H       0.869978      1.620146      7.413501
  H       1.749255      3.154967      7.675665
  H      -1.961739      1.086428      9.795688
  H      -0.719575      0.548837      8.658154
  H      -1.421042      3.389765      9.556591
  H       0.174210      2.597813      9.692067
  C      -3.993437      5.028189      7.097111
  C      -4.925600      3.974539      6.578440
  C      -5.854708      4.191449      5.617243
  C      -6.631368      3.141335      4.971957
  N      -6.062073      1.929574      4.850341
  C      -6.715549      0.994262      4.121964
  N      -7.871310      1.121324      3.493986
  C      -8.506464      2.323568      3.646431
  C      -9.776811      2.511245      3.051645
  C     -10.455388      3.703106      3.222339
  C      -9.893967      4.745540      3.992877
  C      -8.649133      4.591988      4.575159
  C      -7.925315      3.387324      4.405063
  C      -0.487023      1.260139      4.320991
  C      -1.532881      0.333674      4.867929
  C      -2.519784     -0.360622      4.206295
  C      -2.962085     -0.263585      2.846052
  N      -2.652217      0.839886      2.116983
  C      -3.123116      0.926279      0.861325
  N      -3.888928      0.063629      0.206570
  C      -4.225735     -1.069423      0.904189
  C      -5.052380     -2.033795      0.281100
  C      -5.402903     -3.195881      0.945402
  C      -4.927137     -3.441866      2.248652
  C      -4.118302     -2.512588      2.881687
  C      -3.767601     -1.302215      2.240791
  C      -3.425710      0.492694      7.709440
  C      -4.500148      0.799405      8.710809
  C      -5.823807      0.563142      8.583291
  C      -6.457544     -0.226094      7.531387
  N      -5.755547     -1.219242      6.970387
  C      -6.409040     -2.014655      6.088829
  N      -7.677924     -1.960207      5.723044
  C      -8.401612     -0.914926      6.230267
  C      -9.740102     -0.732170      5.808447
  C     -10.459494      0.363351      6.243165
  C      -9.873186      1.309141      7.114049
  C      -8.575839      1.140919      7.559246
  C      -7.816815      0.021018      7.140004
  H      -4.198804      5.997319      6.597935
  H      -4.206284      5.191834      8.177341
  H      -4.862263      2.977671      7.021079
  H      -6.010875      5.208989      5.245482
  H      -6.207163      0.029190      4.036981
  H     -10.195817      1.687338      2.472507
  H     -11.437259      3.840779      2.765995
  H     -10.448618      5.675293      4.129817
  H      -8.226777      5.393140      5.183184
  H       0.492589      0.750224      4.406615
  H      -0.656774      1.460903      3.253399
  H      -1.355196      0.026648      5.902807
  H      -3.051441     -1.095198      4.813866
  H      -2.850951      1.843726      0.325087
  H      -5.399860     -1.826836     -0.732209
  H      -6.045983     -3.930110      0.456854
  H      -5.196799     -4.367369      2.760070
  H      -3.739304     -2.720077      3.882843
  H      -2.995317     -0.516190      7.875171
  H      -3.859447      0.465274      6.698409
  H      -4.172984      1.366552      9.588082
  H      -6.494515      0.975162      9.341363
  H      -5.808816     -2.810783      5.636142
  H     -10.159043     -1.456335      5.108991
  H     -11.482430      0.515882      5.894823
  H     -10.446661      2.183942      7.424688
  H      -8.119873      1.888636      8.209128
  N      -3.258423      2.769687      4.413830
  H      -4.213072      2.397988      4.576842
  H      -2.858754      2.229828      3.622801
  H      -3.373299      3.734248      4.089922
93
Coordinates from ORCA-job orca E -6201.296087793879
  N      -2.575349      4.628461      6.908803
  Mo     -2.001563      2.802788      6.300326
  N      -2.378162      1.528014      7.749326
  C      -1.463010      1.394154      8.879689
  C      -0.738240      2.714180      9.074280
  N      -0.376778      3.273601      7.740250
  C      -0.293319      4.760846      7.778345
  C      -1.696474      5.344592      7.835658
  C       0.878658      2.675110      7.200934
  C       0.896150      2.850754      5.680933
  N      -0.404863      2.492672      5.115157
  H      -1.643461      6.422210      7.585465
  H      -2.098910      5.293989      8.869205
  H       0.202375      5.085584      6.854461
  H       0.319727      5.095985      8.633354
  H       1.699250      2.228879      5.250991
  H       1.143498      3.896136      5.424682
  H       0.858801      1.602727      7.442637
  H       1.758294      3.127645      7.693942
  H      -1.996828      1.134733      9.812075
  H      -0.746822      0.565361      8.698758
  H      -1.426258      3.426736      9.547818
  H       0.158026      2.618500      9.710188
  C      -3.955290      5.069968      7.051988
  C      -4.896821      4.013404      6.557900
  C      -5.824078      4.212283      5.591363
  C      -6.610029      3.151593      4.976088
  N      -6.048040      1.933913      4.880848
  C      -6.716848      0.982240      4.188790
  N      -7.880747      1.097797      3.573546
  C      -8.506990      2.307929      3.699082
  C      -9.784772      2.485330      3.117376
  C     -10.454246      3.685878      3.261723
  C      -9.875471      4.747735      3.991793
  C      -8.623282      4.604017      4.560813
  C      -7.908921      3.390248      4.417361
  C      -0.476021      1.231606      4.338230
  C      -1.533890      0.316340      4.881335
  C      -2.526940     -0.362258      4.212047
  C      -2.964907     -0.247884      2.850361
  N      -2.622316      0.849471      2.126663
  C      -3.082816      0.954751      0.868821
  N      -3.867245      0.115848      0.205686
  C      -4.242412     -1.008159      0.898444
  C      -5.095459     -1.943666      0.267124
  C      -5.490695     -3.093988      0.926664
  C      -5.035452     -3.356104      2.233943
  C      -4.200151     -2.455809      2.874177
  C      -3.800498     -1.258301      2.237844
  C      -3.434907      0.515228      7.719931
  C      -4.527101      0.849679      8.693119
  C      -5.846941      0.596438      8.556384
  C      -6.458266     -0.238171      7.526783
  N      -5.734545     -1.237328      7.004993
  C      -6.366427     -2.074376      6.147048
  N      -7.634053     -2.058095      5.772710
  C      -8.380815     -1.010429      6.239945
  C      -9.720711     -0.869754      5.806544
  C     -10.462912      0.227644      6.195524
  C      -9.898313      1.217778      7.030676
  C      -8.600740      1.090652      7.488629
  C      -7.819071     -0.030613      7.117730
  H      -4.141608      6.026567      6.522476
  H      -4.171864      5.268721      8.125361
  H      -4.840700      3.027075      7.025180
  H      -5.972754      5.221557      5.194415
  H      -6.215898      0.011577      4.123544
  H     -10.216834      1.646938      2.569441
  H     -11.442001      3.815576      2.815858
  H     -10.422448      5.684789      4.108344
  H      -8.187720      5.420868      5.137854
  H       0.499182      0.714719      4.432237
  H      -0.638763      1.430001      3.269350
  H      -1.367212      0.010223      5.918182
  H      -3.072234     -1.091643      4.813720
  H      -2.782602      1.866869      0.338307
  H      -5.427959     -1.722882     -0.748284
  H      -6.154450     -3.805430      0.432114
  H      -5.343034     -4.270713      2.743490
  H      -3.840451     -2.676218      3.879258
  H      -3.012496     -0.491112      7.916842
  H      -3.850507      0.466049      6.702101
  H      -4.217226      1.453131      9.552419
  H      -6.531506      1.030292      9.289377
  H      -5.747449     -2.873340      5.725813
  H     -10.122357     -1.627930      5.133430
  H     -11.486701      0.347409      5.837036
  H     -10.488508      2.094240      7.302953
  H      -8.161866      1.872181      8.109904
  N      -3.238969      2.760077      4.416282
  H      -4.193800      2.389129      4.580262
  H      -2.837790      2.211821      3.631469
  H      -3.355482      3.720674      4.081152
93
Coordinates from ORCA-job orca E -6201.296555249768
  N      -2.544414      4.643171      6.888589
  Mo     -1.991237      2.806109      6.300935
  N      -2.382742      1.545338      7.756374
  C      -1.482765      1.422473      8.899380
  C      -0.747156      2.737757      9.082851
  N      -0.366482      3.276752      7.747171
  C      -0.266429      4.762678      7.768418
  C      -1.662493      5.364048      7.807636
  C       0.882410      2.656386      7.221383
  C       0.909962      2.817940      5.700529
  N      -0.390055      2.466778      5.131038
  H      -1.595067      6.436617      7.539786
  H      -2.071821      5.336418      8.839367
  H       0.240137      5.070792      6.844741
  H       0.344136      5.100634      8.624112
  H       1.710558      2.185676      5.280981
  H       1.168815      3.858828      5.436879
  H       0.845573      1.586597      7.472521
  H       1.766362      3.100274      7.714755
  H      -2.031968      1.184224      9.828648
  H      -0.773348      0.582981      8.742178
  H      -1.431991      3.463730      9.540392
  H       0.141397      2.640965      9.729557
  C      -3.918990      5.108942      7.009189
  C      -4.869044      4.049479      6.539243
  C      -5.793877      4.229649      5.566888
  C      -6.587229      3.158488      4.980195
  N      -6.030516      1.936417      4.910640
  C      -6.710130      0.970452      4.249872
  N      -7.879471      1.075078      3.642991
  C      -8.499124      2.291148      3.742074
  C      -9.781289      2.459091      3.167446
  C     -10.443447      3.666760      3.284298
  C      -9.852172      4.745600      3.978564
  C      -8.595575      4.610987      4.540190
  C      -7.888952      3.389656      4.424938
  C      -0.467009      1.207345      4.354500
  C      -1.537120      0.302868      4.892050
  C      -2.537367     -0.358456      4.215688
  C      -2.971454     -0.228840      2.853077
  N      -2.592232      0.856910      2.129975
  C      -3.043574      0.977446      0.870374
  N      -3.850459      0.163464      0.203347
  C      -4.268085     -0.945281      0.896519
  C      -5.152169     -1.849565      0.262526
  C      -5.596897     -2.980912      0.923275
  C      -5.162586     -3.254098      2.235315
  C      -4.296138     -2.385200      2.877274
  C      -3.842413     -1.208174      2.239094
  C      -3.440823      0.534261      7.729988
  C      -4.551027      0.891979      8.674262
  C      -5.866524      0.620904      8.527940
  C      -6.454703     -0.255410      7.520189
  N      -5.708774     -1.256388      7.033731
  C      -6.317997     -2.130809      6.197441
  N      -7.583662     -2.151897      5.815989
  C      -8.353886     -1.105867      6.247597
  C      -9.694576     -1.006681      5.805206
  C     -10.460198      0.088084      6.153868
  C      -9.918333      1.117704      6.955496
  C      -8.620815      1.031503      7.422909
  C      -7.816262     -0.087097      7.095762
  H      -4.087374      6.051789      6.450211
  H      -4.138884      5.341823      8.074819
  H      -4.819160      3.074493      7.030991
  H      -5.935382      5.229884      5.144882
  H      -6.214394     -0.004161      4.203437
  H     -10.222641      1.608111      2.646996
  H     -11.434771      3.789112      2.844319
  H     -10.392825      5.688751      4.073443
  H      -8.150397      5.441767      5.089343
  H       0.503353      0.682581      4.455088
  H      -0.622948      1.405695      3.284808
  H      -1.381130     -0.003772      5.930292
  H      -3.097389     -1.080453      4.812627
  H      -2.712479      1.879766      0.341303
  H      -5.469464     -1.618772     -0.755514
  H      -6.285004     -3.667578      0.427016
  H      -5.512443     -4.151518      2.748062
  H      -3.956368     -2.614174      3.887046
  H      -3.024364     -0.467705      7.957911
  H      -3.838000      0.461920      6.706235
  H      -4.259106      1.529054      9.515556
  H      -6.565161      1.073486      9.235788
  H      -5.680200     -2.929556      5.804915
  H     -10.078230     -1.795169      5.156813
  H     -11.484644      0.175192      5.787918
  H     -10.525698      1.992475      7.193264
  H      -8.200153      1.843100      8.017794
  N      -3.219822      2.751082      4.420727
  H      -4.174278      2.379047      4.585730
  H      -2.815974      2.196844      3.641427
  H      -3.339549      3.707891      4.075800
93
Coordinates from ORCA-job orca E -6201.296969414656
  N      -2.516983      4.654971      6.867414
  Mo     -1.980349      2.807517      6.300901
  N      -2.386273      1.559371      7.761831
  C      -1.501789      1.448962      8.917813
  C      -0.757127      2.760242      9.091279
  N      -0.357864      3.280189      7.754693
  C      -0.243890      4.764649      7.759770
  C      -1.633631      5.381137      7.779701
  C       0.886010      2.640380      7.243610
  C       0.924903      2.787861      5.722120
  N      -0.373784      2.442385      5.148594
  H      -1.552825      6.448456      7.494990
  H      -2.050466      5.375516      8.808809
  H       0.273697      5.057059      6.837069
  H       0.362918      5.106289      8.616684
  H       1.723437      2.145721      5.313636
  H       1.194739      3.824262      5.451300
  H       0.833434      1.573356      7.503634
  H       1.772938      3.076712      7.738577
  H      -2.066376      1.231387      9.843086
  H      -0.798371      0.600167      8.785043
  H      -1.439599      3.497991      9.533326
  H       0.123597      2.663380      9.748834
  C      -3.886883      5.140885      6.964695
  C      -4.843704      4.077624      6.518975
  C      -5.766379      4.238560      5.541141
  C      -6.564365      3.157371      4.979122
  N      -6.010347      1.932704      4.931038
  C      -6.695245      0.956078      4.291707
  N      -7.866359      1.051811      3.686796
  C      -8.482232      2.271451      3.763359
  C      -9.764805      2.432100      3.187717
  C     -10.421907      3.644779      3.279309
  C      -9.824575      4.736162      3.948351
  C      -8.567586      4.608521      4.510827
  C      -7.866343      3.381831      4.421728
  C      -0.455352      1.186158      4.369564
  C      -1.536580      0.291259      4.901086
  C      -2.544912     -0.351456      4.218279
  C      -2.975608     -0.206905      2.855483
  N      -2.553903      0.861002      2.128903
  C      -2.996382      0.994247      0.867564
  N      -3.830207      0.208196      0.200210
  C      -4.297031     -0.877510      0.898703
  C      -5.218261     -1.745404      0.266852
  C      -5.720616     -2.848105      0.934656
  C      -5.309461     -3.127637      2.252744
  C      -4.405184     -2.295793      2.891347
  C      -3.888964     -1.149396      2.245138
  C      -3.444897      0.549195      7.739313
  C      -4.570770      0.926761      8.657059
  C      -5.881786      0.637105      8.504637
  C      -6.448900     -0.275459      7.517913
  N      -5.680409     -1.271475      7.056056
  C      -6.267125     -2.176239      6.236696
  N      -7.530851     -2.233396      5.851877
  C      -8.325151     -1.195806      6.259645
  C      -9.667379     -1.137398      5.814567
  C     -10.458221     -0.052736      6.137154
  C      -9.940273      1.008029      6.913398
  C      -8.641804      0.962103      7.383605
  C      -7.812315     -0.146359      7.085617
  H      -4.039594      6.068274      6.376513
  H      -4.110320      5.407376      8.021502
  H      -4.797463      3.114429      7.034083
  H      -5.902087      5.229577      5.095851
  H      -6.202111     -0.020602      4.259917
  H     -10.210463      1.571872      2.686482
  H     -11.413651      3.761498      2.838754
  H     -10.360698      5.683708      4.022988
  H      -8.117700      5.449815      5.039783
  H       0.510527      0.654047      4.474844
  H      -0.605338      1.386494      3.299523
  H      -1.388720     -0.018590      5.939469
  H      -3.119906     -1.064913      4.811091
  H      -2.630627      1.881909      0.336258
  H      -5.518829     -1.507987     -0.754740
  H      -6.438062     -3.505602      0.440462
  H      -5.708774     -3.999179      2.773843
  H      -4.087830     -2.528966      3.907182
  H      -3.033366     -0.447617      7.995769
  H      -3.826060      0.454174      6.711376
  H      -4.294973      1.594464      9.479981
  H      -6.592656      1.104715      9.190048
  H      -5.610549     -2.969754      5.865058
  H     -10.032640     -1.949885      5.185369
  H     -11.484365      0.001982      5.769669
  H     -10.566792      1.875081      7.128700
  H      -8.240745      1.797427      7.958934
  N      -3.199512      2.740687      4.423349
  H      -4.152992      2.366430      4.590339
  H      -2.791790      2.182223      3.649457
  H      -3.323590      3.693805      4.069788
93
Coordinates from ORCA-job orca E -6201.297334511414
  N      -2.493618      4.664048      6.848453
  Mo     -1.968661      2.808280      6.300071
  N      -2.387813      1.569326      7.763950
  C      -1.518241      1.470552      8.932232
  C      -0.766684      2.778578      9.098719
  N      -0.350716      3.283502      7.762448
  C      -0.226016      4.766469      7.754742
  C      -1.610518      5.394880      7.756073
  C       0.889923      2.628129      7.265671
  C       0.940713      2.763506      5.743911
  N      -0.356468      2.422774      5.166178
  H      -1.517916      6.457394      7.457156
  H      -2.035017      5.408153      8.781985
  H       0.302218      5.046185      6.834100
  H       0.375940      5.111358      8.613775
  H       1.737528      2.112682      5.345939
  H       1.220511      3.795852      5.467262
  H       0.823736      1.563559      7.532607
  H       1.778343      3.058020      7.763710
  H      -2.097129      1.270757      9.852796
  H      -0.819838      0.614448      8.821763
  H      -1.447653      3.525359      9.527824
  H       0.106721      2.681803      9.766188
  C      -3.859494      5.165888      6.923085
  C      -4.821356      4.098152      6.500660
  C      -5.742158      4.240616      5.517902
  C      -6.542168      3.150883      4.974491
  N      -5.990027      1.924432      4.944318
  C      -6.676154      0.940731      4.316941
  N      -7.845877      1.030283      3.708438
  C      -8.459655      2.251978      3.767136
  C      -9.740205      2.407549      3.185743
  C     -10.394180      3.623324      3.257176
  C      -9.795395      4.722942      3.911244
  C      -8.540577      4.600042      4.479616
  C      -7.842623      3.370070      4.411458
  C      -0.441128      1.171432      4.381481
  C      -1.529352      0.281566      4.907626
  C      -2.545469     -0.344909      4.220636
  C      -2.978373     -0.185813      2.859994
  N      -2.517690      0.861511      2.126560
  C      -2.959921      1.007190      0.866659
  N      -3.825927      0.251497      0.205244
  C      -4.339033     -0.807006      0.913313
  C      -5.304403     -1.633344      0.291917
  C      -5.863101     -2.700630      0.972402
  C      -5.465794     -2.985482      2.293531
  C      -4.515836     -2.196768      2.920108
  C      -3.939386     -1.087387      2.260570
  C      -3.446618      0.560051      7.745064
  C      -4.586601      0.954769      8.638080
  C      -5.893021      0.646839      8.481287
  C      -6.439418     -0.300384      7.516848
  N      -5.650652     -1.293492      7.082702
  C      -6.215467     -2.226936      6.281104
  N      -7.475237     -2.315745      5.889147
  C      -8.291057     -1.284826      6.270290
  C      -9.632535     -1.263481      5.819639
  C     -10.446255     -0.188068      6.114748
  C      -9.952297      0.900696      6.867382
  C      -8.655351      0.891152      7.343617
  C      -7.802886     -0.207415      7.075173
  H      -3.999198      6.076933      6.307133
  H      -4.086563      5.464405      7.970363
  H      -4.775852      3.146526      7.036922
  H      -5.873601      5.223051      5.052605
  H      -6.184670     -0.037170      4.296654
  H     -10.186711      1.541198      2.695937
  H     -11.384368      3.736150      2.812173
  H     -10.328628      5.673242      3.969668
  H      -8.089756      5.448256      4.996594
  H       0.521888      0.634319      4.487719
  H      -0.588087      1.375884      3.311892
  H      -1.385322     -0.033336      5.944916
  H      -3.131431     -1.051411      4.810755
  H      -2.563144      1.878399      0.330247
  H      -5.595250     -1.390033     -0.731109
  H      -6.615688     -3.324408      0.486877
  H      -5.913324     -3.825090      2.827624
  H      -4.213237     -2.433294      3.939398
  H      -3.039655     -0.431441      8.027082
  H      -3.813457      0.444064      6.714061
  H      -4.326053      1.651577      9.441673
  H      -6.615483      1.129128      9.143849
  H      -5.542338     -3.017799      5.934210
  H      -9.979485     -2.097927      5.209026
  H     -11.472320     -0.163009      5.743822
  H     -10.596263      1.760331      7.059682
  H      -8.273835      1.747782      7.900518
  N      -3.178683      2.732928      4.423884
  H      -4.130384      2.354997      4.593544
  H      -2.765871      2.173019      3.654576
  H      -3.308294      3.682921      4.064009
93
Coordinates from ORCA-job orca E -6201.297623054105
  N      -2.475948      4.671531      6.833035
  Mo     -1.960285      2.808394      6.300861
  N      -2.389052      1.577782      7.768265
  C      -1.530208      1.489811      8.945516
  C      -0.773384      2.795567      9.105033
  N      -0.345560      3.287332      7.768327
  C      -0.212247      4.768867      7.748695
  C      -1.592276      5.406685      7.735602
  C       0.892048      2.618591      7.283499
  C       0.952127      2.741834      5.761588
  N      -0.344695      2.405727      5.181942
  H      -1.490030      6.464833      7.424407
  H      -2.021892      5.436025      8.759041
  H       0.323709      5.037310      6.829118
  H       0.386480      5.117382      8.608521
  H       1.746204      2.082272      5.372718
  H       1.241187      3.770005      5.478584
  H       0.814351      1.556516      7.557207
  H       1.781803      3.043508      7.783452
  H      -2.119333      1.304647      9.862730
  H      -0.835876      0.628414      8.852619
  H      -1.452655      3.549553      9.524211
  H       0.094881      2.699580      9.779432
  C      -3.838080      5.185377      6.889413
  C      -4.804503      4.114102      6.487805
  C      -5.722781      4.240947      5.500326
  C      -6.523582      3.144848      4.970474
  N      -5.975542      1.916056      4.960997
  C      -6.661342      0.926764      4.341806
  N      -7.825996      1.012209      3.723240
  C      -8.435812      2.236737      3.761153
  C      -9.711056      2.389395      3.167558
  C     -10.360642      3.608618      3.216938
  C      -9.762489      4.714676      3.860574
  C      -8.512957      4.594465      4.440992
  C      -7.819456      3.360879      4.395642
  C      -0.433918      1.159379      4.391143
  C      -1.528615      0.274417      4.912565
  C      -2.551688     -0.337458      4.222235
  C      -2.985946     -0.166556      2.863733
  N      -2.485138      0.855370      2.120188
  C      -2.927250      1.010424      0.861544
  N      -3.825937      0.286033      0.208714
  C      -4.384415     -0.740918      0.929273
  C      -5.393001     -1.524287      0.321211
  C      -6.005689     -2.551068      1.017463
  C      -5.620192     -2.838138      2.341577
  C      -4.625535     -2.094373      2.953322
  C      -3.992304     -1.026694      2.277502
  C      -3.446420      0.567706      7.754062
  C      -4.597855      0.973430      8.627434
  C      -5.899410      0.646770      8.468172
  C      -6.424798     -0.330758      7.523577
  N      -5.616536     -1.319881      7.116025
  C      -6.158646     -2.277791      6.328630
  N      -7.412431     -2.393691      5.924767
  C      -8.248578     -1.369949      6.280204
  C      -9.586374     -1.380120      5.818352
  C     -10.421564     -0.314669      6.088306
  C      -9.953255      0.795675      6.825611
  C      -8.660498      0.817442      7.312413
  C      -7.786312     -0.270092      7.070187
  H      -3.968002      6.081485      6.250096
  H      -4.067107      5.511238      7.927975
  H      -4.759035      3.172993      7.042392
  H      -5.849100      5.215644      5.017561
  H      -6.174013     -0.053206      4.337574
  H     -10.157024      1.518176      2.685984
  H     -11.346729      3.719231      2.762441
  H     -10.292020      5.667938      3.901390
  H      -8.062964      5.448061      4.949750
  H       0.526315      0.617069      4.496247
  H      -0.579161      1.368607      3.322278
  H      -1.388339     -0.044818      5.948975
  H      -3.148057     -1.036466      4.810564
  H      -2.497608      1.860680      0.316721
  H      -5.675190     -1.277890     -0.703502
  H      -6.792901     -3.139530      0.542949
  H      -6.113924     -3.640968      2.891210
  H      -4.336543     -2.330392      3.976626
  H      -3.041082     -0.418138      8.056702
  H      -3.802498      0.433207      6.721375
  H      -4.351261      1.694602      9.413748
  H      -6.632967      1.139471      9.110397
  H      -5.469424     -3.064728      6.005004
  H      -9.913830     -2.231662      5.220693
  H     -11.445163     -0.314969      5.709813
  H     -10.613675      1.647070      6.997543
  H      -8.299119      1.690777      7.856468
  N      -3.165584      2.725354      4.426421
  H      -4.114473      2.341598      4.599751
  H      -2.747871      2.167034      3.659701
  H      -3.302859      3.672805      4.062819
93
Coordinates from ORCA-job orca E -6201.297752460068
  N      -2.462687      4.677484      6.819270
  Mo     -1.953520      2.807530      6.302180
  N      -2.390454      1.584246      7.773135
  C      -1.540145      1.507317      8.957956
  C      -0.779205      2.811655      9.110280
  N      -0.342332      3.291143      7.772345
  C      -0.201506      4.771253      7.740579
  C      -1.577592      5.417009      7.715930
  C       0.892922      2.610161      7.298932
  C       0.961535      2.720817      5.776879
  N      -0.336138      2.389784      5.197211
  H      -1.466939      6.470922      7.393186
  H      -2.010235      5.461029      8.737561
  H       0.340215      5.028855      6.821198
  H       0.395235      5.124017      8.600071
  H       1.751579      2.051552      5.396667
  H       1.260288      3.744355      5.486712
  H       0.804764      1.550677      7.579414
  H       1.783574      3.031062      7.800646
  H      -2.137283      1.335271      9.872597
  H      -0.849114      0.641914      8.880451
  H      -1.456880      3.571638      9.521265
  H       0.085233      2.717192      9.789915
  C      -3.821391      5.200114      6.860510
  C      -4.791367      4.125227      6.477897
  C      -5.706009      4.238077      5.485047
  C      -6.505692      3.136718      4.964387
  N      -5.961826      1.905916      4.976262
  C      -6.644500      0.911722      4.361046
  N      -7.801124      0.993680      3.727411
  C      -8.407366      2.220579      3.743918
  C      -9.674235      2.370884      3.132125
  C     -10.319462      3.593127      3.157962
  C      -9.725048      4.704685      3.795500
  C      -8.483779      4.586671      4.393725
  C      -7.794560      3.349962      4.372627
  C      -0.431759      1.149070      4.399300
  C      -1.531623      0.267601      4.916492
  C      -2.560990     -0.331107      4.223401
  C      -2.996562     -0.148772      2.867464
  N      -2.451950      0.842309      2.112224
  C      -2.893473      1.006989      0.854833
  N      -3.826085      0.318180      0.211200
  C      -4.431987     -0.672069      0.945185
  C      -5.481823     -1.409268      0.349603
  C      -6.148079     -2.391090      1.061415
  C      -5.776733     -2.678495      2.389468
  C      -4.740478     -1.982139      2.987745
  C      -4.049637     -0.962084      2.295157
  C      -3.445927      0.572900      7.765201
  C      -4.606059      0.987300      8.623284
  C      -5.902984      0.642214      8.465075
  C      -6.408807     -0.363149      7.540182
  N      -5.581630     -1.346689      7.156841
  C      -6.101084     -2.326477      6.382109
  N      -7.348127     -2.467638      5.965799
  C      -8.203813     -1.452135      6.297288
  C      -9.536242     -1.490718      5.821743
  C     -10.392524     -0.437027      6.070711
  C      -9.951372      0.689796      6.799758
  C      -8.664003      0.740400      7.298255
  C      -7.768025     -0.333670      7.076571
  H      -3.944658      6.082186      6.200757
  H      -4.051607      5.550049      7.890898
  H      -4.744597      3.194332      7.048840
  H      -5.827351      5.205720      4.987028
  H      -6.159438     -0.069211      4.371112
  H     -10.117154      1.495571      2.655171
  H     -11.299009      3.701981      2.689173
  H     -10.251040      5.660500      3.817574
  H      -8.037231      5.444786      4.897871
  H       0.526006      0.601499      4.499851
  H      -0.577407      1.364390      3.331647
  H      -1.394010     -0.056517      5.951702
  H      -3.166456     -1.022912      4.810694
  H      -2.428668      1.832345      0.300653
  H      -5.753190     -1.161554     -0.677735
  H      -6.967563     -2.942236      0.596871
  H      -6.315409     -3.440758      2.954373
  H      -4.464878     -2.217618      4.014897
  H      -3.040609     -0.407117      8.085725
  H      -3.794565      0.420851      6.732103
  H      -4.371042      1.729385      9.393450
  H      -6.646077      1.142775      9.089833
  H      -5.396265     -3.108931      6.080618
  H      -9.843474     -2.355695      5.232694
  H     -11.412432     -0.460376      5.683115
  H     -10.628507      1.530983      6.955975
  H      -8.323291      1.626869      7.834108
  N      -3.155967      2.719330      4.427822
  H      -4.101314      2.329239      4.605896
  H      -2.733208      2.164574      3.663050
  H      -3.301167      3.664796      4.062320
93
Coordinates from ORCA-job orca E -6201.297832116755
  N      -2.458437      4.689132      6.824548
  Mo     -1.953080      2.816544      6.301558
  N      -2.395975      1.588073      7.766600
  C      -1.544607      1.505888      8.951262
  C      -0.779721      2.807983      9.107522
  N      -0.343159      3.290587      7.770053
  C      -0.195885      4.770041      7.742273
  C      -1.568714      5.421590      7.722179
  C       0.891183      2.606923      7.295722
  C       0.961193      2.722060      5.774315
  N      -0.339801      2.398379      5.196929
  H      -1.453412      6.476089      7.402881
  H      -1.999003      5.463700      8.744864
  H       0.345659      5.027556      6.822721
  H       0.403697      5.117743      8.601826
  H       1.746401      2.048668      5.391749
  H       1.265108      3.744589      5.486154
  H       0.799134      1.546806      7.572268
  H       1.782243      3.023543      7.800075
  H      -2.140858      1.332362      9.866117
  H      -0.855764      0.639271      8.870034
  H      -1.454705      3.568217      9.522432
  H       0.085518      2.708937      9.785368
  C      -3.814634      5.214530      6.871789
  C      -4.789562      4.144960      6.488149
  C      -5.702566      4.268113      5.495114
  C      -6.505869      3.173163      4.968154
  N      -5.966570      1.940540      4.979498
  C      -6.650248      0.950215      4.359566
  N      -7.804236      1.037011      3.722595
  C      -8.406466      2.265975      3.739546
  C      -9.670471      2.421872      3.123321
  C     -10.311643      3.646190      3.149442
  C      -9.716266      4.754179      3.792187
  C      -8.477847      4.630695      4.395034
  C      -7.792263      3.391978      4.372995
  C      -0.441352      1.163204      4.392235
  C      -1.529907      0.271711      4.916279
  C      -2.556274     -0.340512      4.229944
  C      -3.007622     -0.160370      2.879653
  N      -2.482612      0.839810      2.122392
  C      -2.942895      1.004537      0.872046
  N      -3.873332      0.306700      0.235380
  C      -4.456275     -0.696299      0.970495
  C      -5.499318     -1.448142      0.381330
  C      -6.141230     -2.445268      1.094027
  C      -5.751125     -2.734310      2.416246
  C      -4.720669     -2.023632      3.007651
  C      -4.055303     -0.987025      2.314541
  C      -3.449389      0.575296      7.752143
  C      -4.612386      0.983498      8.609772
  C      -5.907214      0.630688      8.451180
  C      -6.406275     -0.379659      7.527953
  N      -5.573176     -1.360274      7.149640
  C      -6.085757     -2.344231      6.375603
  N      -7.329847     -2.490077      5.952503
  C      -8.191262     -1.477699      6.278588
  C      -9.520584     -1.521299      5.795095
  C     -10.383505     -0.472864      6.043073
  C      -9.952751      0.653225      6.779445
  C      -8.667967      0.709613      7.283789
  C      -7.764544     -0.357985      7.061070
  H      -3.938834      6.098805      6.215017
  H      -4.041458      5.562094      7.903816
  H      -4.744665      3.212183      7.056015
  H      -5.820080      5.238637      5.002003
  H      -6.167275     -0.031120      4.369072
  H     -10.114219      1.549161      2.642433
  H     -11.288835      3.759420      2.676861
  H     -10.239557      5.711428      3.814849
  H      -8.031031      5.485735      4.904073
  H       0.519573      0.618520      4.477503
  H      -0.599548      1.385055      3.327571
  H      -1.378131     -0.056180      5.948355
  H      -3.143196     -1.045522      4.820310
  H      -2.496513      1.838747      0.316986
  H      -5.785113     -1.200072     -0.642004
  H      -6.955643     -3.007924      0.634428
  H      -6.270873     -3.508164      2.983068
  H      -4.429591     -2.261903      4.029777
  H      -3.042699     -0.405635      8.068054
  H      -3.796388      0.426958      6.717968
  H      -4.381878      1.725532      9.381146
  H      -6.653569      1.126957      9.075388
  H      -5.376534     -3.125166      6.079411
  H      -9.820718     -2.386308      5.202524
  H     -11.401260     -0.500491      5.650262
  H     -10.636177      1.488953      6.937177
  H      -8.334704      1.595651      7.824864
  N      -3.166063      2.736865      4.428377
  H      -4.108847      2.343963      4.614808
  H      -2.744885      2.185894      3.661551
  H      -3.315491      3.682904      4.066615
93
Coordinates from ORCA-job orca E -6201.297879029282
  N      -2.461749      4.688995      6.826764
  Mo     -1.949939      2.816788      6.303731
  N      -2.393427      1.585903      7.767357
  C      -1.542975      1.505178      8.953063
  C      -0.781237      2.809495      9.110129
  N      -0.344970      3.292846      7.772270
  C      -0.198753      4.772647      7.743761
  C      -1.572499      5.422818      7.723856
  C       0.891574      2.609383      7.301106
  C       0.965162      2.722630      5.779375
  N      -0.336649      2.401757      5.201217
  H      -1.458031      6.477273      7.403943
  H      -2.002140      5.465012      8.746836
  H       0.342531      5.030164      6.824057
  H       0.400543      5.121489      8.603108
  H       1.748391      2.046093      5.398536
  H       1.272324      3.743895      5.490177
  H       0.799156      1.549487      7.578291
  H       1.780783      3.027070      7.807758
  H      -2.139464      1.330399      9.867525
  H      -0.852265      0.640077      8.872088
  H      -1.458050      3.568137      9.525015
  H       0.084039      2.712299      9.788103
  C      -3.818766      5.211198      6.874762
  C      -4.791481      4.139000      6.489670
  C      -5.702170      4.261361      5.494103
  C      -6.505232      3.167430      4.964267
  N      -5.967208      1.933906      4.975197
  C      -6.649806      0.945162      4.351274
  N      -7.803630      1.033288      3.714307
  C      -8.404769      2.262941      3.731681
  C      -9.667709      2.420563      3.113630
  C     -10.307021      3.645876      3.138313
  C      -9.710961      4.753141      3.781660
  C      -8.473742      4.627863      4.386577
  C      -7.789929      3.388142      4.365907
  C      -0.441113      1.170412      4.389959
  C      -1.530097      0.276714      4.909426
  C      -2.556000     -0.336208      4.223339
  C      -3.009409     -0.157905      2.874055
  N      -2.483018      0.838518      2.112792
  C      -2.949449      1.004149      0.864846
  N      -3.886786      0.310538      0.233699
  C      -4.468313     -0.691050      0.972013
  C      -5.515288     -1.441602      0.388112
  C      -6.154039     -2.438672      1.103733
  C      -5.757043     -2.728943      2.423710
  C      -4.723172     -2.018964      3.010047
  C      -4.061205     -0.982410      2.313998
  C      -3.445040      0.571391      7.752415
  C      -4.606923      0.976498      8.613295
  C      -5.902097      0.624272      8.456524
  C      -6.403224     -0.384887      7.532928
  N      -5.572521     -1.368411      7.157351
  C      -6.087356     -2.352801      6.385370
  N      -7.330619     -2.494322      5.958818
  C      -8.189101     -1.478153      6.280669
  C      -9.516640     -1.516438      5.791865
  C     -10.377231     -0.465868      6.039166
  C      -9.946143      0.656777      6.780595
  C      -8.662629      0.708792      7.288611
  C      -7.760987     -0.360062      7.064761
  H      -3.946223      6.096025      6.219145
  H      -4.046615      5.557249      7.907234
  H      -4.744524      3.206910      7.058121
  H      -5.820258      5.232430      5.002334
  H      -6.166646     -0.036155      4.359769
  H     -10.111683      1.548498      2.631721
  H     -11.283114      3.760558      2.663779
  H     -10.232938      5.711138      3.803334
  H      -8.026735      5.482194      4.896700
  H       0.519169      0.623447      4.469360
  H      -0.600425      1.398587      3.326801
  H      -1.381822     -0.049871      5.942493
  H      -3.141299     -1.041331      4.815307
  H      -2.500865      1.834949      0.306471
  H      -5.806073     -1.193309     -0.633759
  H      -6.971056     -3.000759      0.648003
  H      -6.273688     -3.502776      2.993345
  H      -4.425512     -2.259243      4.030095
  H      -3.035984     -0.409189      8.066497
  H      -3.793358      0.423799      6.718399
  H      -4.375257      1.716868      9.385936
  H      -6.647074      1.119925      9.082820
  H      -5.380367     -3.136795      6.091948
  H      -9.817550     -2.379433      5.196753
  H     -11.393532     -0.489471      5.642312
  H     -10.628524      1.493089      6.939732
  H      -8.328583      1.592364      7.833137
  N      -3.163208      2.736442      4.426750
  H      -4.105592      2.345481      4.616646
  H      -2.742257      2.183039      3.661174
  H      -3.311292      3.681979      4.063324
93
Coordinates from ORCA-job orca E -6201.297903604693
  N      -2.463715      4.689801      6.828263
  Mo     -1.948210      2.817829      6.305347
  N      -2.392407      1.585624      7.768444
  C      -1.542946      1.506650      8.955226
  C      -0.782817      2.811985      9.111484
  N      -0.346628      3.294130      7.772814
  C      -0.199616      4.773929      7.742761
  C      -1.573606      5.424487      7.723844
  C       0.890890      2.609458      7.304443
  C       0.967465      2.720271      5.782465
  N      -0.335412      2.403893      5.203740
  H      -1.459024      6.478565      7.402592
  H      -2.001898      5.468083      8.747349
  H       0.340779      5.030307      6.822221
  H       0.400676      5.123560      8.601126
  H       1.747641      2.039243      5.403519
  H       1.279499      3.739650      5.491758
  H       0.797069      1.550011      7.582684
  H       1.778852      3.027469      7.812885
  H      -2.140015      1.332567      9.869439
  H      -0.851496      0.641997      8.875751
  H      -1.460580      3.570214      9.525532
  H       0.082533      2.716380      9.789550
  C      -3.820872      5.210302      6.877273
  C      -4.792225      4.135870      6.492299
  C      -5.699119      4.255094      5.493130
  C      -6.501585      3.160901      4.963225
  N      -5.966534      1.926037      4.980943
  C      -6.649621      0.936316      4.358743
  N      -7.802010      1.024475      3.719168
  C      -8.399785      2.255874      3.729095
  C      -9.660878      2.413652      3.107288
  C     -10.296558      3.640965      3.123303
  C      -9.698729      4.750107      3.761771
  C      -8.463514      4.624473      4.370645
  C      -7.783411      3.382546      4.358956
  C      -0.443563      1.176623      4.386561
  C      -1.529790      0.279459      4.904723
  C      -2.556380     -0.332934      4.219877
  C      -3.010814     -0.154635      2.871608
  N      -2.477179      0.835184      2.106695
  C      -2.946462      1.003440      0.860177
  N      -3.893747      0.318770      0.233944
  C      -4.479581     -0.678586      0.974936
  C      -5.534230     -1.421918      0.395597
  C      -6.175691     -2.415696      1.113454
  C      -5.773925     -2.710040      2.431115
  C      -4.733276     -2.006452      3.013363
  C      -4.068945     -0.972974      2.315212
  C      -3.442288      0.569099      7.753659
  C      -4.604411      0.972397      8.615041
  C      -5.899456      0.619957      8.458465
  C      -6.400402     -0.389970      7.535281
  N      -5.569517     -1.374107      7.162235
  C      -6.084149     -2.360596      6.392722
  N      -7.327155     -2.502964      5.965939
  C      -8.185429     -1.485395      6.283676
  C      -9.512230     -1.523859      5.792881
  C     -10.372890     -0.472737      6.037789
  C      -9.942616      0.650601      6.778611
  C      -8.659582      0.703271      7.287753
  C      -7.757742     -0.365820      7.065935
  H      -3.950809      6.095250      6.222161
  H      -4.048635      5.555743      7.909996
  H      -4.744217      3.205658      7.063474
  H      -5.815406      5.225137      4.998938
  H      -6.168554     -0.046070      4.372608
  H     -10.106052      1.540221      2.628960
  H     -11.270995      3.755916      2.645433
  H     -10.217776      5.709822      3.776531
  H      -8.015383      5.480320      4.877189
  H       0.517355      0.629242      4.455959
  H      -0.608457      1.410938      3.325377
  H      -1.381700     -0.047758      5.937686
  H      -3.141108     -1.037192      4.813290
  H      -2.490326      1.828289      0.298679
  H      -5.828176     -1.171273     -0.624774
  H      -6.998219     -2.972433      0.661060
  H      -6.291897     -3.481361      3.002900
  H      -4.431824     -2.249869      4.031814
  H      -3.031184     -0.410489      8.068497
  H      -3.790333      0.420440      6.719752
  H      -4.373063      1.712356      9.388235
  H      -6.644143      1.114757      9.085823
  H      -5.378051     -3.147081      6.104163
  H      -9.812579     -2.387433      5.198342
  H     -11.388396     -0.496321      5.638893
  H     -10.625552      1.486633      6.936912
  H      -8.326070      1.587252      7.831907
  N      -3.164174      2.738176      4.426949
  H      -4.104819      2.344645      4.618805
  H      -2.743528      2.187313      3.659486
  H      -3.315073      3.684053      4.065826
93
Coordinates from ORCA-job orca E -6201.297916316354
  N      -2.466264      4.688567      6.828735
  Mo     -1.947223      2.817061      6.306052
  N      -2.392025      1.584551      7.769444
  C      -1.543204      1.507022      8.956884
  C      -0.784710      2.813238      9.112491
  N      -0.348539      3.294141      7.773215
  C      -0.201619      4.774012      7.741920
  C      -1.576040      5.424098      7.723663
  C       0.890396      2.609683      7.307318
  C       0.969387      2.718341      5.785236
  N      -0.333816      2.405049      5.205158
  H      -1.462002      6.478089      7.401921
  H      -2.003589      5.468079      8.747452
  H       0.337841      5.029600      6.820585
  H       0.399357      5.124503      8.599439
  H       1.747544      2.033895      5.408389
  H       1.285232      3.736259      5.493344
  H       0.796825      1.550577      7.586815
  H       1.776805      3.029327      7.817005
  H      -2.140628      1.333107      9.870889
  H      -0.850865      0.642972      8.878487
  H      -1.463626      3.571105      9.525218
  H       0.080595      2.719431      9.790844
  C      -3.824122      5.207261      6.879965
  C      -4.794615      4.131869      6.494449
  C      -5.698688      4.249887      5.492834
  C      -6.500196      3.155765      4.961698
  N      -5.965212      1.921000      4.980804
  C      -6.647030      0.931196      4.357277
  N      -7.797447      1.019537      3.714255
  C      -8.394923      2.251036      3.722157
  C      -9.654067      2.408781      3.096377
  C     -10.289226      3.636375      3.109267
  C      -9.692674      4.745906      3.748324
  C      -8.459455      4.620242      4.361190
  C      -7.780003      3.377850      4.353154
  C      -0.443701      1.181867      4.382594
  C      -1.527354      0.282092      4.900788
  C      -2.554431     -0.330613      4.216861
  C      -3.009019     -0.153584      2.868487
  N      -2.473527      0.833887      2.101723
  C      -2.945225      1.003417      0.856223
  N      -3.897719      0.323025      0.233199
  C      -4.484170     -0.673028      0.975487
  C      -5.543401     -1.412318      0.399376
  C      -6.184870     -2.405342      1.118288
  C      -5.778550     -2.703088      2.433731
  C      -4.733893     -2.002981      3.013165
  C      -4.069808     -0.969860      2.314138
  C      -3.441098      0.566840      7.755214
  C      -4.601981      0.968997      8.618693
  C      -5.897209      0.616545      8.464209
  C      -6.399950     -0.391622      7.539790
  N      -5.568835     -1.373305      7.161085
  C      -6.084213     -2.357594      6.389010
  N      -7.327860     -2.499011      5.963720
  C      -8.186224     -1.483118      6.286543
  C      -9.513654     -1.520190      5.797356
  C     -10.374371     -0.470337      6.047497
  C      -9.943359      0.650488      6.791688
  C      -8.659617      0.701749      7.299184
  C      -7.757951     -0.366460      7.072638
  H      -3.956266      6.093191      6.226547
  H      -4.051349      5.550691      7.913430
  H      -4.746365      3.202303      7.066744
  H      -5.813242      5.219718      4.997755
  H      -6.165218     -0.050795      4.370902
  H     -10.098098      1.535104      2.617432
  H     -11.262150      3.751344      2.628318
  H     -10.211087      5.706008      3.760241
  H      -8.012431      5.476541      4.867889
  H       0.518175      0.635051      4.443424
  H      -0.613827      1.421406      3.323333
  H      -1.378056     -0.046155      5.933350
  H      -3.138743     -1.034123      4.811507
  H      -2.486842      1.826118      0.293256
  H      -5.840642     -1.159445     -0.619501
  H      -7.010870     -2.958922      0.668352
  H      -6.295835     -3.474205      3.006427
  H      -4.429367     -2.248619      4.030116
  H      -3.028769     -0.412554      8.069190
  H      -3.790253      0.418813      6.721745
  H      -4.369409      1.707658      9.392804
  H      -6.640556      1.109652      9.094561
  H      -5.378057     -3.142105      6.095452
  H      -9.814465     -2.381521      5.199785
  H     -11.390335     -0.492713      5.649679
  H     -10.626385      1.485702      6.953957
  H      -8.325423      1.583933      7.845905
  N      -3.165009      2.737195      4.426762
  H      -4.104320      2.341076      4.619296
  H      -2.745010      2.188106      3.657983
  H      -3.318381      3.683390      4.067603
93
Coordinates from ORCA-job orca E -6201.297929916311
  N      -2.466438      4.688409      6.829249
  Mo     -1.945623      2.817328      6.306787
  N      -2.391893      1.584650      7.770137
  C      -1.544782      1.508374      8.958841
  C      -0.787003      2.814968      9.113953
  N      -0.349581      3.293893      7.774306
  C      -0.201428      4.773707      7.741366
  C      -1.575525      5.424654      7.723048
  C       0.890100      2.608529      7.311332
  C       0.972186      2.714879      5.789283
  N      -0.331096      2.406017      5.206891
  H      -1.461065      6.478219      7.400074
  H      -2.002526      5.470259      8.746958
  H       0.337436      5.027635      6.819178
  H       0.400452      5.124751      8.597994
  H       1.747853      2.026067      5.415330
  H       1.293468      3.730901      5.496341
  H       0.795771      1.549882      7.592246
  H       1.775215      3.029107      7.822386
  H      -2.143546      1.335264      9.872127
  H      -0.852177      0.644359      8.882481
  H      -1.466781      3.573128      9.524606
  H       0.077733      2.722575      9.793202
  C      -3.824514      5.207198      6.882140
  C      -4.795250      4.131853      6.496722
  C      -5.695595      4.248226      5.491802
  C      -6.497023      3.153934      4.961079
  N      -5.963735      1.918722      4.986068
  C      -6.645839      0.927375      4.365390
  N      -7.794867      1.014738      3.719825
  C      -8.390253      2.247256      3.720907
  C      -9.647568      2.404167      3.091226
  C     -10.280679      3.632859      3.096742
  C      -9.683767      4.744345      3.732139
  C      -8.452451      4.619434      4.348954
  C      -7.774963      3.375880      4.348442
  C      -0.442927      1.188081      4.377671
  C      -1.523074      0.284849      4.897169
  C      -2.551829     -0.328091      4.215339
  C      -3.010079     -0.150992      2.867867
  N      -2.475980      0.835819      2.099291
  C      -2.953644      1.008102      0.856406
  N      -3.912099      0.331971      0.238037
  C      -4.496782     -0.663859      0.981829
  C      -5.561926     -1.398472      0.410738
  C      -6.201153     -2.392047      1.130842
  C      -5.786283     -2.695360      2.442231
  C      -4.736097     -1.999534      3.016933
  C      -4.074634     -0.965126      2.317135
  C      -3.439596      0.565289      7.754655
  C      -4.601428      0.966274      8.617237
  C      -5.896240      0.612473      8.462613
  C      -6.398096     -0.396404      7.538383
  N      -5.566885     -1.378464      7.160948
  C      -6.082016     -2.363459      6.389434
  N      -7.325705     -2.505402      5.964281
  C      -8.184291     -1.489460      6.286405
  C      -9.511857     -1.527307      5.797673
  C     -10.372340     -0.476801      6.045912
  C      -9.940879      0.645451      6.787699
  C      -8.657213      0.697144      7.295356
  C      -7.755961     -0.371882      7.071088
  H      -3.957209      6.093965      6.229951
  H      -4.050751      5.549302      7.916177
  H      -4.748429      3.203497      7.071428
  H      -5.806666      5.217222      4.994179
  H      -6.165744     -0.055321      4.383998
  H     -10.091838      1.528993      2.615244
  H     -11.252269      3.747227      2.612955
  H     -10.200352      5.705491      3.738022
  H      -8.005323      5.477552      4.852458
  H       0.520448      0.642719      4.427572
  H      -0.620344      1.433759      3.321043
  H      -1.371175     -0.044273      5.929161
  H      -3.134865     -1.031129      4.811779
  H      -2.495121      1.829499      0.291805
  H      -5.865390     -1.141656     -0.605332
  H      -7.031909     -2.941757      0.684950
  H      -6.301085     -3.467407      3.015933
  H      -4.425607     -2.249033      4.030919
  H      -3.026330     -0.413470      8.069283
  H      -3.787376      0.417394      6.720842
  H      -4.370082      1.705527      9.391167
  H      -6.640065      1.105304      9.092664
  H      -5.375742     -3.147915      6.096088
  H      -9.812803     -2.389581      5.201519
  H     -11.388404     -0.499818      5.648378
  H     -10.623475      1.481434      6.947852
  H      -8.322646      1.580339      7.840275
  N      -3.164443      2.738197      4.427282
  H      -4.102341      2.338455      4.619177
  H      -2.745267      2.191839      3.656542
  H      -3.321030      3.685025      4.071156
93
Coordinates from ORCA-job orca E -6201.297940413023
  N      -2.466388      4.687251      6.828743
  Mo     -1.944378      2.816493      6.306461
  N      -2.392407      1.584106      7.769784
  C      -1.546656      1.508192      8.959334
  C      -0.788943      2.814844      9.114570
  N      -0.350091      3.292631      7.774944
  C      -0.201401      4.772480      7.740793
  C      -1.575132      5.423898      7.722037
  C       0.890303      2.607138      7.314128
  C       0.974858      2.712011      5.792235
  N      -0.328112      2.406102      5.207694
  H      -1.460390      6.477251      7.398494
  H      -2.002122      5.470351      8.745899
  H       0.337125      5.025040      6.817980
  H       0.401038      5.123925      8.596826
  H       1.748953      2.019970      5.420953
  H       1.300420      3.726612      5.498697
  H       0.796016      1.548790      7.596167
  H       1.774389      3.028847      7.825971
  H      -2.146561      1.335397      9.871947
  H      -0.854036      0.644085      8.884259
  H      -1.469228      3.573356      9.523666
  H       0.075166      2.723138      9.794673
  C      -3.824778      5.206061      6.883565
  C      -4.796163      4.131624      6.498061
  C      -5.694057      4.247912      5.490988
  C      -6.495407      3.153522      4.959850
  N      -5.961690      1.918591      4.985398
  C      -6.643214      0.926795      4.364908
  N      -7.791893      1.013520      3.718702
  C      -8.387357      2.246007      3.718450
  C      -9.643869      2.402457      3.087056
  C     -10.276975      3.631170      3.090830
  C      -9.680775      4.743102      3.726144
  C      -8.450315      4.618670      4.344756
  C      -7.772796      3.375146      4.346086
  C      -0.440585      1.193303      4.372056
  C      -1.516519      0.286356      4.894377
  C      -2.546519     -0.327681      4.215008
  C      -3.009109     -0.149509      2.868913
  N      -2.478567      0.838729      2.099813
  C      -2.961844      1.013212      0.859348
  N      -3.923394      0.338547      0.244318
  C      -4.504408     -0.658961      0.988643
  C      -5.572794     -1.391739      0.421294
  C      -6.207881     -2.387697      1.141749
  C      -5.785019     -2.695568      2.449459
  C      -4.731708     -2.001428      3.020446
  C      -4.074972     -0.963893      2.320772
  C      -3.440103      0.564671      7.752959
  C      -4.602521      0.966211      8.614562
  C      -5.897122      0.611542      8.460335
  C      -6.398690     -0.397919      7.536709
  N      -5.567521     -1.380089      7.159410
  C      -6.082560     -2.364701      6.387307
  N      -7.326483     -2.507002      5.962852
  C      -8.185206     -1.491364      6.285610
  C      -9.513153     -1.529819      5.797970
  C     -10.373508     -0.479109      6.045710
  C      -9.941537      0.643916      6.786082
  C      -8.657706      0.695852      7.293294
  C      -7.756639     -0.373507      7.069679
  H      -3.957654      6.093928      6.232967
  H      -4.049574      5.546321      7.918452
  H      -4.751289      3.203769      7.073842
  H      -5.802556      5.216769      4.992413
  H      -6.163299     -0.055919      4.384338
  H     -10.087489      1.526940      2.611101
  H     -11.247990      3.745229      2.605819
  H     -10.197217      5.704335      3.730560
  H      -8.003877      5.477353      4.847961
  H       0.524703      0.650495      4.411636
  H      -0.625702      1.444292      3.317988
  H      -1.360468     -0.043240      5.925625
  H      -3.127476     -1.031474      4.812659
  H      -2.505807      1.835397      0.293980
  H      -5.881972     -1.131661     -0.592227
  H      -7.041403     -2.935746      0.698992
  H      -6.296062     -3.469968      3.023346
  H      -4.415066     -2.254511      4.031604
  H      -3.027449     -0.414203      8.067804
  H      -3.786906      0.417654      6.718642
  H      -4.371774      1.706448      9.387711
  H      -6.641177      1.104848      9.089716
  H      -5.376337     -3.149208      6.093950
  H      -9.814428     -2.392708      5.202863
  H     -11.390006     -0.502775      5.649330
  H     -10.623772      1.480385      6.945232
  H      -8.322819      1.579524      7.837245
  N      -3.163231      2.738866      4.427212
  H      -4.100730      2.337693      4.618415
  H      -2.745471      2.193717      3.654852
  H      -3.321171      3.686326      4.073438
93
Coordinates from ORCA-job orca E -6201.297951536480
  N      -2.465107      4.686568      6.828435
  Mo     -1.942583      2.815984      6.306295
  N      -2.393043      1.583861      7.768931
  C      -1.549220      1.507800      8.959570
  C      -0.791138      2.814311      9.115619
  N      -0.349900      3.291249      7.776490
  C      -0.200345      4.771063      7.741258
  C      -1.573443      5.423362      7.721346
  C       0.890729      2.604912      7.317905
  C       0.978242      2.708542      5.796192
  N      -0.324209      2.406041      5.209069
  H      -1.457955      6.476408      7.397095
  H      -2.000855      5.470883      8.744986
  H       0.338520      5.022060      6.818172
  H       0.402298      5.122640      8.597065
  H       1.750869      2.013256      5.427808
  H       1.308506      3.721670      5.502463
  H       0.795732      1.546896      7.600913
  H       1.774231      3.026925      7.830518
  H      -2.150655      1.335205      9.871227
  H      -0.856768      0.643456      8.885773
  H      -1.471774      3.573342      9.523157
  H       0.071906      2.722674      9.797040
  C      -3.823417      5.206385      6.884142
  C      -4.795887      4.133064      6.499194
  C      -5.691601      4.248948      5.490064
  C      -6.492848      3.154072      4.958896
  N      -5.958106      1.919512      4.984001
  C      -6.639049      0.927254      4.363679
  N      -7.787959      1.013223      3.717729
  C      -8.384274      2.245333      3.717680
  C      -9.640792      2.401178      3.086207
  C     -10.274664      3.629549      3.090175
  C      -9.679243      4.741629      3.725912
  C      -8.448800      4.617834      4.344735
  C      -7.770479      3.374811      4.345740
  C      -0.437564      1.199555      4.365437
  C      -1.509009      0.288232      4.890360
  C      -2.540152     -0.327274      4.214047
  C      -3.008815     -0.147993      2.869966
  N      -2.484136      0.842630      2.100100
  C      -2.975032      1.019112      0.862852
  N      -3.939397      0.344659      0.252155
  C      -4.514345     -0.655689      0.997392
  C      -5.585456     -1.388216      0.434905
  C      -6.214083     -2.387570      1.156320
  C      -5.781350     -2.699392      2.459849
  C      -4.725434     -2.005322      3.026000
  C      -4.075651     -0.963811      2.325715
  C      -3.441366      0.565268      7.749679
  C      -4.605140      0.967902      8.609221
  C      -5.899441      0.612423      8.454426
  C      -6.399996     -0.398208      7.531757
  N      -5.568759     -1.381170      7.156570
  C      -6.083480     -2.366663      6.385452
  N      -7.327185     -2.509445      5.960498
  C      -8.186051     -1.493386      6.281610
  C      -9.514008     -1.532938      5.794046
  C     -10.374501     -0.481867      6.039736
  C      -9.942724      0.642537      6.778182
  C      -8.659031      0.695378      7.285649
  C      -7.757767     -0.374291      7.064003
  H      -3.955567      6.094816      6.234222
  H      -4.046692      5.545933      7.919562
  H      -4.753916      3.206046      7.076617
  H      -5.797945      5.217389      4.990159
  H      -6.158568     -0.055181      4.382540
  H     -10.083752      1.525519      2.609895
  H     -11.245653      3.743203      2.605025
  H     -10.196242      5.702567      3.730566
  H      -8.003013      5.476723      4.848238
  H       0.529610      0.659419      4.393783
  H      -0.630917      1.456804      3.314392
  H      -1.348744     -0.040670      5.921194
  H      -3.118287     -1.032248      4.813043
  H      -2.523609      1.843023      0.296382
  H      -5.901776     -1.125313     -0.575681
  H      -7.049957     -2.935265      0.717596
  H      -6.287078     -3.476821      3.034332
  H      -4.400856     -2.261752      4.033846
  H      -3.030338     -0.414176      8.064583
  H      -3.786453      0.419598      6.714459
  H      -4.375602      1.709718      9.381193
  H      -6.644312      1.106751      9.081999
  H      -5.376859     -3.151117      6.092772
  H      -9.815159     -2.397059      5.200662
  H     -11.391116     -0.506533      5.643718
  H     -10.624885      1.479431      6.935393
  H      -8.324408      1.579958      7.828262
  N      -3.160801      2.739811      4.427966
  H      -4.098134      2.337665      4.618887
  H      -2.744379      2.195412      3.654227
  H      -3.320040      3.687700      4.075953
93
Coordinates from ORCA-job orca E -6201.297960910083
  N      -2.463953      4.686072      6.828667
  Mo     -1.940852      2.815774      6.306131
  N      -2.393496      1.583120      7.767127
  C      -1.551546      1.506366      8.958781
  C      -0.793302      2.812785      9.116463
  N      -0.349515      3.289957      7.778322
  C      -0.199533      4.769693      7.742778
  C      -1.572179      5.422599      7.721711
  C       0.891078      2.602844      7.321306
  C       0.981344      2.706189      5.799767
  N      -0.320506      2.406635      5.210368
  H      -1.455995      6.475499      7.397235
  H      -2.000246      5.470580      8.745078
  H       0.340112      5.019820      6.819875
  H       0.402847      5.121147      8.598820
  H       1.753029      2.008635      5.433563
  H       1.315407      3.718311      5.506525
  H       0.795116      1.544990      7.604532
  H       1.774413      3.024363      7.834677
  H      -2.154395      1.333441      9.869448
  H      -0.859071      0.641977      8.885706
  H      -1.474345      3.571945      9.523095
  H       0.068542      2.720674      9.799339
  C      -3.821990      5.206924      6.883977
  C      -4.795165      4.134186      6.499780
  C      -5.689313      4.249136      5.489046
  C      -6.490019      3.153459      4.957972
  N      -5.953677      1.919408      4.981829
  C      -6.633343      0.926947      4.360453
  N      -7.782629      1.012104      3.714927
  C      -8.380666      2.243408      3.716524
  C      -9.637516      2.398539      3.085632
  C     -10.272927      3.626185      3.091334
  C      -9.678785      4.738136      3.728391
  C      -8.447962      4.615092      4.346708
  C      -7.768111      3.372956      4.345790
  C      -0.434481      1.206476      4.358719
  C      -1.500778      0.289717      4.885402
  C      -2.532559     -0.327471      4.212182
  C      -3.007381     -0.147066      2.870343
  N      -2.488544      0.845969      2.099824
  C      -2.987273      1.024633      0.865966
  N      -3.954508      0.350383      0.259674
  C      -4.523109     -0.653064      1.005735
  C      -5.596590     -1.385804      0.448094
  C      -6.218613     -2.388488      1.170622
  C      -5.776365     -2.703678      2.470186
  C      -4.718082     -2.009353      3.031465
  C      -4.075251     -0.964159      2.330248
  C      -3.443105      0.566166      7.745201
  C      -4.607709      0.969947      8.603436
  C      -5.901946      0.614322      8.448546
  C      -6.402459     -0.397392      7.527197
  N      -5.571570     -1.381398      7.153847
  C      -6.086525     -2.367652      6.383980
  N      -7.330186     -2.510601      5.959033
  C      -8.188590     -1.493511      6.278096
  C      -9.516379     -1.533233      5.790038
  C     -10.376562     -0.481467      6.033835
  C      -9.944657      0.643807      6.770896
  C      -8.661109      0.696925      7.278699
  C      -7.760095     -0.373354      7.058845
  H      -3.953276      6.095271      6.233793
  H      -4.044334      5.546816      7.919488
  H      -4.756008      3.208157      7.078975
  H      -5.794579      5.216927      4.987620
  H      -6.152050     -0.055122      4.378640
  H     -10.079515      1.522944      2.608299
  H     -11.244145      3.739293      2.606513
  H     -10.197053      5.698390      3.734593
  H      -8.003098      5.473773      4.851422
  H       0.534593      0.669248      4.376097
  H      -0.635819      1.469989      3.310715
  H      -1.336391     -0.038152      5.915937
  H      -3.107447     -1.034114      4.812306
  H      -2.540533      1.850371      0.298446
  H      -5.919965     -1.120429     -0.559604
  H      -7.056499     -2.936279      0.735896
  H      -6.276953     -3.483893      3.045361
  H      -4.385607     -2.268796      4.036074
  H      -3.034214     -0.414371      8.059249
  H      -3.787065      0.422429      6.709172
  H      -4.378648      1.713068      9.374287
  H      -6.647115      1.109972      9.074694
  H      -5.380258     -3.153181      6.093293
  H      -9.817683     -2.398224      5.197993
  H     -11.393097     -0.506329      5.637617
  H     -10.626530      1.481202      6.926665
  H      -8.326444      1.582160      7.820194
  N      -3.158190      2.741041      4.429047
  H      -4.095649      2.338782      4.620366
  H      -2.742962      2.197064      3.654245
  H      -3.318294      3.689153      4.078011
93
Coordinates from ORCA-job orca E -6201.297970270082
  N      -2.462904      4.686216      6.830039
  Mo     -1.939367      2.816256      6.306493
  N      -2.393451      1.581984      7.764808
  C      -1.553051      1.504019      8.957258
  C      -0.795071      2.810527      9.117304
  N      -0.348889      3.289030      7.780556
  C      -0.198837      4.768642      7.745586
  C      -1.571206      5.421940      7.723721
  C       0.891318      2.601185      7.324196
  C       0.983784      2.705032      5.802786
  N      -0.317586      2.408201      5.211597
  H      -1.454362      6.474892      7.399632
  H      -1.999923      5.469701      8.746857
  H       0.341829      5.018713      6.823243
  H       0.402968      5.119689      8.602224
  H       1.754868      2.006081      5.437863
  H       1.320777      3.716582      5.510586
  H       0.794159      1.543331      7.606933
  H       1.774950      3.021428      7.838193
  H      -2.156971      1.330082      9.867010
  H      -0.860231      0.639919      8.884151
  H      -1.476657      3.569317      9.523736
  H       0.065551      2.717533      9.801642
  C      -3.820426      5.208252      6.883714
  C      -4.794065      4.135590      6.500707
  C      -5.687301      4.249067      5.488903
  C      -6.487032      3.152314      4.958213
  N      -5.948879      1.918808      4.981171
  C      -6.626853      0.926044      4.358454
  N      -7.775980      1.010303      3.712375
  C      -8.376233      2.240551      3.715756
  C      -9.633397      2.394648      3.085362
  C     -10.270957      3.621255      3.093286
  C      -9.678763      4.733098      3.732205
  C      -8.447538      4.611106      4.350074
  C      -7.765568      3.370151      4.346725
  C      -0.432272      1.214382      4.352030
  C      -1.493026      0.291531      4.879731
  C      -2.525481     -0.327211      4.209969
  C      -3.006627     -0.146239      2.870405
  N      -2.493255      0.848504      2.098628
  C      -2.999536      1.028502      0.867981
  N      -3.969584      0.354067      0.266436
  C      -4.531731     -0.652162      1.013763
  C      -5.606991     -1.386030      0.461094
  C      -6.222149     -2.391797      1.185189
  C      -5.770848     -2.709212      2.481159
  C      -4.710809     -2.013730      3.037544
  C      -4.075165     -0.965117      2.334823
  C      -3.444633      0.567033      7.739811
  C      -4.609676      0.971196      8.597591
  C      -5.903975      0.616053      8.442491
  C      -6.405027     -0.395767      7.521635
  N      -5.574856     -1.380889      7.149514
  C      -6.090678     -2.367800      6.381174
  N      -7.334291     -2.510008      5.955939
  C      -8.191692     -1.491491      6.273089
  C      -9.519176     -1.530284      5.784086
  C     -10.378585     -0.477565      6.026594
  C      -9.946192      0.647760      6.763257
  C      -8.662841      0.700194      7.271645
  C      -7.762555     -0.370923      7.052924
  H      -3.950773      6.095720      6.232145
  H      -4.042485      5.549826      7.918750
  H      -4.757664      3.210778      7.081987
  H      -5.792329      5.215869      4.985472
  H      -6.144070     -0.055326      4.375547
  H     -10.074039      1.519104      2.606675
  H     -11.242399      3.733503      2.608712
  H     -10.198835      5.692365      3.740328
  H      -8.003967      5.469441      4.856526
  H       0.538564      0.679986      4.358498
  H      -0.641321      1.484231      3.307100
  H      -1.324690     -0.035072      5.910081
  H      -3.096567     -1.035806      4.811351
  H      -2.557209      1.855616      0.298965
  H      -5.937189     -1.119114     -0.543973
  H      -7.061494     -2.940511      0.754491
  H      -6.266297     -3.491958      3.057307
  H      -4.370900     -2.275112      4.039282
  H      -3.037975     -0.415048      8.051823
  H      -3.787928      0.426025      6.703022
  H      -4.380638      1.714814      9.367979
  H      -6.649109      1.112532      9.068032
  H      -5.384944     -3.154161      6.091456
  H      -9.820891     -2.395456      5.192521
  H     -11.394829     -0.501628      5.629572
  H     -10.627499      1.485749      6.918303
  H      -8.327799      1.585577      7.812655
  N      -3.156386      2.742257      4.431156
  H      -4.094017      2.340335      4.623855
  H      -2.742372      2.198427      3.655536
  H      -3.317402      3.690263      4.080180
93
Coordinates from ORCA-job orca E -6201.297979979550
  N      -2.462750      4.686433      6.832829
  Mo     -1.938380      2.817220      6.307199
  N      -2.392547      1.579472      7.761417
  C      -1.553260      1.499699      8.954356
  C      -0.796562      2.806699      9.117825
  N      -0.348457      3.288228      7.783008
  C      -0.199217      4.767720      7.750103
  C      -1.571727      5.420739      7.728085
  C       0.891331      2.600495      7.326070
  C       0.985191      2.706288      5.804816
  N      -0.315725      2.411425      5.212314
  H      -1.454576      6.474135      7.405504
  H      -2.001123      5.467052      8.751035
  H       0.342551      5.019195      6.828772
  H       0.401586      5.118017      8.607805
  H       1.756346      2.007391      5.439876
  H       1.323594      3.718028      5.514556
  H       0.793312      1.542302      7.607169
  H       1.775457      3.018963      7.840757
  H      -2.157830      1.323645      9.863238
  H      -0.859484      0.636478      8.880243
  H      -1.479211      3.564172      9.524944
  H       0.062884      2.712638      9.803583
  C      -3.819719      5.209391      6.883445
  C      -4.793194      4.136018      6.501804
  C      -5.686156      4.247438      5.489400
  C      -6.484234      3.149361      4.959077
  N      -5.944275      1.916390      4.982480
  C      -6.619435      0.923172      4.357504
  N      -7.767399      1.006183      3.709090
  C      -8.370184      2.235228      3.713236
  C      -9.626837      2.387852      3.081600
  C     -10.266909      3.613235      3.090713
  C      -9.677844      4.725253      3.732065
  C      -8.446973      4.604738      4.351102
  C      -7.762516      3.365134      4.346428
  C      -0.430490      1.223737      4.345223
  C      -1.484637      0.293319      4.873028
  C      -2.517491     -0.327207      4.206750
  C      -3.004830     -0.145860      2.869395
  N      -2.496603      0.850476      2.096505
  C      -3.010499      1.032323      0.869227
  N      -3.983878      0.358359      0.272557
  C      -4.539882     -0.650470      1.021005
  C      -5.617403     -1.384811      0.473410
  C      -6.226186     -2.393258      1.199087
  C      -5.766127     -2.713062      2.491449
  C      -4.703916     -2.017085      3.042920
  C      -4.074698     -0.965654      2.338526
  C      -3.445681      0.566937      7.733394
  C      -4.609916      0.970874      8.592614
  C      -5.904588      0.616941      8.438555
  C      -6.407785     -0.394244      7.518156
  N      -5.579212     -1.380750      7.146045
  C      -6.097115     -2.367536      6.379006
  N      -7.341130     -2.507949      5.954421
  C      -8.196470     -1.487384      6.270423
  C      -9.523713     -1.523486      5.780557
  C     -10.381138     -0.468959      6.022383
  C      -9.946900      0.655574      6.759100
  C      -8.663605      0.705662      7.267911
  C      -7.765342     -0.367226      7.049781
  H      -3.949229      6.095135      6.229332
  H      -4.042601      5.553948      7.917339
  H      -4.759079      3.212569      7.085342
  H      -5.791736      5.212978      4.983593
  H      -6.135248     -0.057522      4.375106
  H     -10.065333      1.512159      2.601211
  H     -11.238006      3.724192      2.605142
  H     -10.200042      5.683355      3.741244
  H      -8.005499      5.462863      4.859739
  H       0.542322      0.692761      4.340805
  H      -0.647058      1.499769      3.303352
  H      -1.312382     -0.032325      5.903090
  H      -3.084233     -1.038145      4.809395
  H      -2.572116      1.860660      0.298910
  H      -5.954456     -1.116134     -0.528897
  H      -7.067301     -2.942439      0.772480
  H      -6.256995     -3.497932      3.068590
  H      -4.357016     -2.280315      4.041851
  H      -3.041221     -0.417165      8.041902
  H      -3.789454      0.429708      6.696132
  H      -4.379569      1.713983      9.363125
  H      -6.648636      1.113938      9.065019
  H      -5.393013     -3.155672      6.090249
  H      -9.826831     -2.388122      5.188927
  H     -11.397077     -0.490790      5.624446
  H     -10.626709      1.494810      6.913974
  H      -8.327069      1.590653      7.808648
  N      -3.155585      2.743294      4.433852
  H      -4.093245      2.341739      4.628588
  H      -2.742707      2.199729      3.657509
  H      -3.317768      3.690942      4.082317
93
Coordinates from ORCA-job orca E -6201.297990591306
  N      -2.463389      4.687001      6.836625
  Mo     -1.938277      2.818610      6.308483
  N      -2.390785      1.576144      7.758161
  C      -1.551604      1.494357      8.950966
  C      -0.797056      2.802236      9.118076
  N      -0.348282      3.287810      7.785157
  C      -0.200491      4.767246      7.755485
  C      -1.573491      5.419416      7.734228
  C       0.891241      2.601218      7.326327
  C       0.984990      2.709767      5.805199
  N      -0.315792      2.415720      5.212337
  H      -1.456409      6.473632      7.414238
  H      -2.003377      5.463162      8.757105
  H       0.341963      5.021319      6.835260
  H       0.399295      5.116538      8.614368
  H       1.756649      2.012163      5.438895
  H       1.323035      3.722322      5.517099
  H       0.793244      1.542441      7.605192
  H       1.775851      3.018197      7.841438
  H      -2.156012      1.315307      9.859336
  H      -0.856367      0.632528      8.874828
  H      -1.481137      3.557652      9.526612
  H       0.061685      2.707370      9.804705
  C      -3.819890      5.210466      6.883629
  C      -4.792851      4.135933      6.503450
  C      -5.686332      4.245511      5.491157
  C      -6.482553      3.146259      4.961100
  N      -5.941461      1.913586      4.986652
  C      -6.613720      0.919665      4.359803
  N      -7.759500      1.001386      3.707377
  C      -8.364090      2.229599      3.710199
  C      -9.619257      2.380672      3.075356
  C     -10.261303      3.605098      3.083485
  C      -9.675763      4.717661      3.726974
  C      -8.446225      4.598673      4.349081
  C      -7.759776      3.360127      4.345367
  C      -0.430191      1.232688      4.339652
  C      -1.478246      0.295343      4.867225
  C      -2.511658     -0.326671      4.204138
  C      -3.004204     -0.145312      2.868519
  N      -2.499256      0.851365      2.094128
  C      -3.018656      1.034046      0.869231
  N      -3.994917      0.360571      0.276735
  C      -4.546729     -0.649446      1.026588
  C      -5.626199     -1.384085      0.483218
  C      -6.230425     -2.393979      1.210566
  C      -5.763904     -2.715104      2.500318
  C      -4.699911     -2.018786      3.047806
  C      -4.075259     -0.965739      2.341641
  C      -3.445508      0.565526      7.727729
  C      -4.608168      0.968163      8.589770
  C      -5.903281      0.615600      8.437228
  C      -6.409109     -0.393636      7.516038
  N      -5.582512     -1.381309      7.142615
  C      -6.103037     -2.367053      6.375985
  N      -7.347588     -2.504685      5.952051
  C      -8.200513     -1.482258      6.268431
  C      -9.527684     -1.514645      5.778148
  C     -10.382570     -0.458156      6.020553
  C      -9.945754      0.664697      6.758243
  C      -8.662414      0.711273      7.267322
  C      -7.766768     -0.363612      7.048513
  H      -3.948810      6.093955      6.226310
  H      -4.044434      5.558747      7.915927
  H      -4.760043      3.213666      7.088849
  H      -5.792880      5.209918      4.983329
  H      -6.128342     -0.060400      4.379001
  H     -10.055320      1.504570      2.593505
  H     -11.231324      3.714675      2.595452
  H     -10.199627      5.674859      3.735404
  H      -8.007180      5.456958      4.859543
  H       0.544363      0.704896      4.326366
  H      -0.652751      1.513444      3.300213
  H      -1.302612     -0.030090      5.896827
  H      -3.074091     -1.039893      4.808065
  H      -2.582602      1.862644      0.297473
  H      -5.968405     -1.114516     -0.517084
  H      -7.073023     -2.943489      0.787340
  H      -6.251538     -3.501171      3.078548
  H      -4.348218     -2.282696      4.044906
  H      -3.042460     -0.420494      8.032020
  H      -3.790507      0.432458      6.690269
  H      -4.375937      1.709681      9.361263
  H      -6.645777      1.112020      9.066057
  H      -5.400755     -3.156434      6.086330
  H      -9.832731     -2.377953      5.185577
  H     -11.398298     -0.476937      5.621935
  H     -10.623590      1.505403      6.913788
  H      -8.323812      1.595149      7.808616
  N      -3.156718      2.743709      4.436872
  H      -4.094146      2.342419      4.634080
  H      -2.744974      2.200231      3.659999
  H      -3.320162      3.690793      4.084268
93
Coordinates from ORCA-job orca E -6201.298003554788
  N      -2.465323      4.687382      6.842329
  Mo     -1.938991      2.820452      6.310232
  N      -2.387720      1.570291      7.753425
  C      -1.547946      1.485534      8.945537
  C      -0.797267      2.794954      9.117919
  N      -0.348836      3.287017      7.787515
  C      -0.203640      4.766516      7.763650
  C      -1.577681      5.416834      7.744150
  C       0.890937      2.603546      7.325123
  C       0.983334      2.717010      5.804245
  N      -0.317352      2.422747      5.211322
  H      -1.461212      6.472585      7.428926
  H      -2.008310      5.455823      8.766916
  H       0.339235      5.025394      6.845002
  H       0.394758      5.113976      8.624309
  H       1.756200      2.022395      5.434928
  H       1.319181      3.731312      5.519477
  H       0.794367      1.543677      7.600306
  H       1.775713      3.019377      7.840873
  H      -2.151552      1.301454      9.853389
  H      -0.850258      0.626063      8.865803
  H      -1.483878      3.546774      9.528845
  H       0.060999      2.699571      9.805185
  C      -3.821451      5.211039      6.884235
  C      -4.793228      4.134589      6.505586
  C      -5.687823      4.242095      5.493766
  C      -6.481350      3.141489      4.963592
  N      -5.939637      1.908908      4.994104
  C      -6.607813      0.913763      4.365117
  N      -7.749784      0.993557      3.705872
  C      -8.355707      2.221216      3.704164
  C      -9.607549      2.370223      3.062427
  C     -10.251199      3.593901      3.065965
  C      -9.670589      4.707717      3.711582
  C      -8.444183      4.590728      4.340349
  C      -7.756037      3.353083      4.341313
  C      -0.430134      1.244559      4.332813
  C      -1.470081      0.298101      4.859888
  C      -2.503872     -0.326190      4.200330
  C      -3.002366     -0.144646      2.866641
  N      -2.500818      0.852375      2.090784
  C      -3.026420      1.036667      0.868690
  N      -4.006452      0.364541      0.280947
  C      -4.554413     -0.646228      1.032359
  C      -5.637275     -1.379677      0.494073
  C      -6.237537     -2.390392      1.223387
  C      -5.763867     -2.713636      2.510019
  C      -4.696761     -2.018427      3.052722
  C      -4.075860     -0.964486      2.344455
  C      -3.444417      0.561908      7.720744
  C      -4.603859      0.962658      8.588033
  C      -5.899719      0.611860      8.439114
  C      -6.409996     -0.394569      7.517112
  N      -5.586698     -1.384008      7.141209
  C      -6.111451     -2.367551      6.374525
  N      -7.357065     -2.500877      5.952270
  C      -8.206240     -1.475890      6.270301
  C      -9.533671     -1.502630      5.780451
  C     -10.384343     -0.443000      6.024108
  C      -9.942890      0.677444      6.762671
  C      -8.659224      0.718480      7.271447
  C      -7.767939     -0.359726      7.051340
  H      -3.949636      6.091351      6.222466
  H      -4.049048      5.564385      7.914138
  H      -4.760960      3.213524      7.092784
  H      -5.795770      5.205402      4.984093
  H      -6.121646     -0.065812      4.388493
  H     -10.040121      1.493190      2.579130
  H     -11.218762      3.701665      2.572669
  H     -10.195762      5.664219      3.716373
  H      -8.008731      5.449849      4.852481
  H       0.546912      0.721567      4.309641
  H      -0.659500      1.530078      3.296042
  H      -1.290352     -0.027974      5.888603
  H      -3.060797     -1.042392      4.805782
  H      -2.592419      1.865387      0.295556
  H      -5.985311     -1.108514     -0.503773
  H      -7.082775     -2.938993      0.804281
  H      -6.248689     -3.500387      3.089663
  H      -4.340095     -2.283365      4.047743
  H      -3.042671     -0.426477      8.019129
  H      -3.791980      0.434692      6.683378
  H      -4.368137      1.701574      9.360970
  H      -6.639349      1.107108      9.072319
  H      -5.412269     -3.159004      6.083214
  H      -9.842191     -2.363996      5.186852
  H     -11.400118     -0.457270      5.625435
  H     -10.617359      1.520682      6.919157
  H      -8.316941      1.600618      7.813301
  N      -3.159346      2.743833      4.440149
  H      -4.096033      2.342071      4.640163
  H      -2.748770      2.200832      3.662566
  H      -3.324810      3.690215      4.086483
93
Coordinates from ORCA-job orca E -6201.298017211057
  N      -2.467292      4.688007      6.848183
  Mo     -1.940312      2.822389      6.312329
  N      -2.384490      1.563911      7.749109
  C      -1.543497      1.475950      8.940073
  C      -0.797116      2.787048      9.117791
  N      -0.349969      3.285902      7.789628
  C      -0.207214      4.765586      7.772517
  C      -1.582305      5.413963      7.755149
  C       0.890553      2.606508      7.323180
  C       0.980792      2.725327      5.802613
  N      -0.320003      2.430451      5.209831
  H      -1.466525      6.471524      7.445706
  H      -2.013905      5.447295      8.777699
  H       0.335634      5.029800      6.855354
  H       0.390048      5.110571      8.634981
  H       1.754728      2.033874      5.429761
  H       1.313929      3.741478      5.521138
  H       0.796530      1.545461      7.594671
  H       1.775001      3.022226      7.839515
  H      -2.145817      1.286104      9.847555
  H      -0.843134      0.619101      8.856059
  H      -1.486614      3.534893      9.531140
  H       0.061115      2.691760      9.805176
  C      -3.823118      5.211970      6.885017
  C      -4.793776      4.133718      6.507804
  C      -5.689686      4.239732      5.496609
  C      -6.480650      3.138026      4.966173
  N      -5.939122      1.905240      5.002976
  C      -6.603738      0.908602      4.372969
  N      -7.741704      0.986314      3.706652
  C      -8.347676      2.214045      3.698136
  C      -9.595409      2.361104      3.048112
  C     -10.239429      3.584646      3.044272
  C      -9.663218      4.700175      3.690708
  C      -8.440789      4.585016      4.327594
  C      -7.752108      3.347699      4.336062
  C      -0.430782      1.256632      4.325972
  C      -1.462870      0.301729      4.853046
  C      -2.497227     -0.324935      4.196930
  C      -3.001671     -0.143200      2.865133
  N      -2.502632      0.853220      2.087177
  C      -3.033407      1.038085      0.867302
  N      -4.016901      0.367039      0.284217
  C      -4.562343     -0.643168      1.037936
  C      -5.648811     -1.375115      0.504796
  C      -6.246417     -2.385469      1.236634
  C      -5.766554     -2.709995      2.520644
  C      -4.696118     -2.016188      3.058462
  C      -4.077760     -0.962389      2.347655
  C      -3.442854      0.557290      7.714644
  C      -4.599035      0.955966      8.587301
  C      -5.895456      0.606169      8.442355
  C      -6.409618     -0.397264      7.519001
  N      -5.589384     -1.388080      7.140350
  C      -6.117921     -2.368953      6.372665
  N      -7.364476     -2.498049      5.951800
  C      -8.210377     -1.471188      6.272439
  C      -9.538260     -1.492779      5.783614
  C     -10.385062     -0.430502      6.029228
  C      -9.939193      0.687485      6.768914
  C      -8.655151      0.723256      7.277122
  C      -7.767837     -0.357817      7.054968
  H      -3.950176      6.089030      6.218708
  H      -4.053987      5.570443      7.912388
  H      -4.761256      3.213561      7.096268
  H      -5.798766      5.202441      4.986049
  H      -6.117602     -0.070808      4.401765
  H     -10.024748      1.482781      2.564278
  H     -11.203872      3.690774      2.544552
  H     -10.188598      5.656574      3.689706
  H      -8.008822      5.445585      4.840258
  H       0.548811      0.738812      4.293740
  H      -0.666651      1.546192      3.291712
  H      -1.278938     -0.025679      5.880583
  H      -3.048546     -1.044062      4.804022
  H      -2.600752      1.866223      0.292322
  H      -6.001768     -1.103060     -0.491068
  H      -7.094549     -2.932778      0.821726
  H      -6.249347     -3.496523      3.102274
  H      -4.335406     -2.281424      4.051894
  H      -3.042009     -0.433132      8.007362
  H      -3.792983      0.436059      6.677412
  H      -4.360054      1.692421      9.361574
  H      -6.632398      1.099557      9.080204
  H      -5.421450     -3.161804      6.078774
  H      -9.850113     -2.352142      5.188859
  H     -11.401098     -0.440727      5.631115
  H     -10.610524      1.532994      6.926633
  H      -8.309396      1.603430      7.819998
  N      -3.162794      2.743824      4.442890
  H      -4.098457      2.341089      4.645347
  H      -2.753357      2.201245      3.664651
  H      -3.330390      3.689623      4.088644
93
Coordinates from ORCA-job orca E -6201.298035117647
  N      -2.469360      4.688693      6.854801
  Mo     -1.942387      2.824586      6.314631
  N      -2.381026      1.555559      7.743610
  C      -1.538449      1.463272      8.932994
  C      -0.797401      2.776314      9.117486
  N      -0.352225      3.283624      7.791903
  C      -0.211871      4.763648      7.784008
  C      -1.588068      5.409837      7.769038
  C       0.889764      2.609981      7.320509
  C       0.977299      2.736105      5.800491
  N      -0.323543      2.440427      5.207455
  H      -1.473066      6.469764      7.467447
  H      -2.021500      5.435572      8.791013
  H       0.330846      5.034643      6.868720
  H       0.384151      5.104593      8.648901
  H       1.752425      2.048472      5.423182
  H       1.307161      3.754523      5.523313
  H       0.799769      1.547441      7.587432
  H       1.773207      3.026497      7.837798
  H      -2.139150      1.265836      9.839898
  H      -0.834833      0.609661      8.843428
  H      -1.490733      3.519117      9.533543
  H       0.061028      2.681680      9.804727
  C      -3.824773      5.213621      6.885244
  C      -4.794080      4.133361      6.509493
  C      -5.691379      4.237695      5.498743
  C      -6.479366      3.134734      4.968017
  N      -5.938933      1.901367      5.013906
  C      -6.599853      0.902590      4.383998
  N      -7.732921      0.977574      3.709043
  C      -8.337671      2.205961      3.690077
  C      -9.579761      2.350750      3.028961
  C     -10.222859      3.574761      3.013401
  C      -9.651195      4.692861      3.659228
  C      -8.434309      4.579780      4.307117
  C      -7.746307      3.342265      4.327471
  C      -0.431080      1.271921      4.316857
  C      -1.453153      0.306535      4.844248
  C      -2.487873     -0.323354      4.191952
  C      -2.999608     -0.140864      2.862614
  N      -2.503483      0.854867      2.082310
  C      -3.040807      1.041025      0.865356
  N      -4.028805      0.371839      0.287955
  C      -4.572092     -0.637086      1.044661
  C      -5.664089     -1.365725      0.518241
  C      -6.259849     -2.374586      1.253496
  C      -5.772591     -2.701023      2.534228
  C      -4.696871     -2.010451      3.065482
  C      -4.080099     -0.957969      2.351279
  C      -3.441606      0.551195      7.707371
  C      -4.593756      0.948282      8.586294
  C      -5.890717      0.598699      8.447320
  C      -6.409301     -0.402574      7.523760
  N      -5.592593     -1.395220      7.142858
  C      -6.125307     -2.373494      6.374502
  N      -7.372896     -2.498239      5.955402
  C      -8.215290     -1.469326      6.278703
  C      -9.543912     -1.485979      5.791722
  C     -10.386525     -0.420823      6.039127
  C      -9.935672      0.695125      6.779009
  C      -8.651051      0.725733      7.285995
  C      -7.767977     -0.358484      7.061946
  H      -3.949499      6.086761      6.213412
  H      -4.059659      5.578275      7.909461
  H      -4.760517      3.214127      7.099154
  H      -5.801508      5.200139      4.987982
  H      -6.114486     -0.076920      4.420318
  H     -10.005605      1.470442      2.545641
  H     -11.182929      3.679098      2.504957
  H     -10.175571      5.649761      3.649098
  H      -8.006315      5.442771      4.819065
  H       0.552002      0.761530      4.274012
  H      -0.675183      1.566000      3.285730
  H      -1.263940     -0.022765      5.870167
  H      -3.032683     -1.045907      4.800846
  H      -2.609603      1.868356      0.288170
  H      -6.022820     -1.092171     -0.475140
  H      -7.112524     -2.918984      0.844132
  H      -6.253913     -3.486263      3.118800
  H      -4.331234     -2.276497      4.056835
  H      -3.042085     -0.441489      7.993835
  H      -3.794832      0.437207      6.670338
  H      -4.350912      1.683020      9.360974
  H      -6.624464      1.090308      9.090249
  H      -5.431847     -3.168066      6.078224
  H      -9.859587     -2.343722      5.196646
  H     -11.403139     -0.427269      5.642425
  H     -10.603599      1.543164      6.937579
  H      -8.301367      1.604117      7.829276
  N      -3.166509      2.744137      4.444941
  H      -4.100653      2.339230      4.649365
  H      -2.757944      2.202596      3.665839
  H      -3.337097      3.689534      4.091147
93
Coordinates from ORCA-job orca E -6201.298052975852
  N      -2.469514      4.690355      6.859564
  Mo     -1.944589      2.826671      6.316988
  N      -2.379298      1.549147      7.739847
  C      -1.535197      1.452733      8.927643
  C      -0.798058      2.767069      9.117697
  N      -0.354639      3.280969      7.793915
  C      -0.214804      4.761333      7.794177
  C      -1.591322      5.406657      7.780728
  C       0.888684      2.611898      7.318647
  C       0.974116      2.744203      5.799176
  N      -0.326923      2.448871      5.205595
  H      -1.476359      6.468552      7.486179
  H      -2.027037      5.425749      8.801856
  H       0.327978      5.037499      6.880454
  H       0.380528      5.097651      8.661255
  H       1.749495      2.058802      5.418379
  H       1.302370      3.764083      5.525507
  H       0.802295      1.548256      7.582222
  H       1.771027      3.029675      7.836685
  H      -2.134427      1.248714      9.834044
  H      -0.829147      0.601646      8.833101
  H      -1.494499      3.505970      9.535562
  H       0.060755      2.673304      9.804513
  C      -3.824211      5.217452      6.884247
  C      -4.792945      4.136035      6.510054
  C      -5.691232      4.238982      5.499391
  C      -6.477306      3.135142      4.969047
  N      -5.938616      1.900911      5.023174
  C      -6.597509      0.900299      4.394695
  N      -7.727179      0.972987      3.713651
  C      -8.329596      2.202476      3.684629
  C      -9.566956      2.345690      3.014479
  C     -10.207845      3.570729      2.987319
  C      -9.638501      4.691257      3.630774
  C      -8.426325      4.579556      4.287783
  C      -7.740304      3.341263      4.319815
  C      -0.431929      1.285613      4.308167
  C      -1.445413      0.311537      4.836344
  C      -2.480724     -0.320942      4.187590
  C      -2.999341     -0.137849      2.860643
  N      -2.505495      0.856352      2.077302
  C      -3.048385      1.042277      0.862625
  N      -4.040050      0.374000      0.290682
  C      -4.581832     -0.632844      1.051116
  C      -5.678451     -1.359160      0.531105
  C      -6.272923     -2.365820      1.270330
  C      -5.779496     -2.692510      2.548645
  C      -4.699255     -2.004232      3.073532
  C      -4.083686     -0.953647      2.355434
  C      -3.441792      0.546777      7.701857
  C      -4.591431      0.942903      8.584837
  C      -5.888329      0.591755      8.450785
  C      -6.408854     -0.408947      7.527380
  N      -5.593574     -1.401992      7.145127
  C      -6.127873     -2.378723      6.375690
  N      -7.375815     -2.501510      5.957216
  C      -8.217045     -1.472281      6.282669
  C      -9.546154     -1.487078      5.796931
  C     -10.387283     -0.421244      6.046228
  C      -9.934521      0.693461      6.786987
  C      -8.649575      0.721986      7.293108
  C      -7.767895     -0.363017      7.066951
  H      -3.945563      6.087117      6.207424
  H      -4.062012      5.587789      7.905674
  H      -4.758125      3.217647      7.100793
  H      -5.801810      5.201546      4.989079
  H      -6.114011     -0.079787      4.438333
  H      -9.990851      1.463428      2.532995
  H     -11.164154      3.673924      2.471614
  H     -10.160761      5.649184      3.611760
  H      -8.000902      5.445016      4.797717
  H       0.554190      0.782114      4.255845
  H      -0.683877      1.583995      3.280159
  H      -1.251232     -0.019252      5.860798
  H      -3.020063     -1.046265      4.798077
  H      -2.618542      1.868300      0.282565
  H      -6.041741     -1.085443     -0.460571
  H      -7.129477     -2.908023      0.866219
  H      -6.259732     -3.475807      3.136703
  H      -4.329388     -2.270092      4.063356
  H      -3.043757     -0.447695      7.983597
  H      -3.796976      0.438902      6.664756
  H      -4.346553      1.677824      9.358672
  H      -6.620413      1.081737      9.096835
  H      -5.435563     -3.173791      6.077999
  H      -9.863380     -2.343879      5.201332
  H     -11.404377     -0.426330      5.650744
  H     -10.601314      1.542174      6.946698
  H      -8.298358      1.599149      7.837366
  N      -3.169336      2.744831      4.446287
  H      -4.102107      2.337663      4.652054
  H      -2.761290      2.204199      3.666573
  H      -3.342713      3.690083      4.093661
93
Coordinates from ORCA-job orca E -6201.298071992018
  N      -2.467643      4.692875      6.862157
  Mo     -1.946959      2.828630      6.318980
  N      -2.379596      1.544500      7.737081
  C      -1.534438      1.444097      8.923565
  C      -0.799609      2.758983      9.118122
  N      -0.357277      3.277795      7.795588
  C      -0.216004      4.758459      7.802960
  C      -1.591995      5.404409      7.789795
  C       0.887020      2.611817      7.317594
  C       0.971372      2.749679      5.798710
  N      -0.329824      2.455962      5.204063
  H      -1.476252      6.467783      7.501102
  H      -2.030625      5.418126      8.809738
  H       0.327520      5.038175      6.890743
  H       0.378894      5.089487      8.672226
  H       1.746333      2.065191      5.415368
  H       1.299733      3.770377      5.528241
  H       0.803288      1.547384      7.578613
  H       1.768403      3.030613      7.836379
  H      -2.132731      1.234842      9.829396
  H      -0.826912      0.594637      8.824992
  H      -1.498317      3.495195      9.537039
  H       0.059574      2.665936      9.804472
  C      -3.821202      5.223537      6.881002
  C      -4.789809      4.141438      6.508565
  C      -5.688416      4.242283      5.497272
  C      -6.473502      3.137712      4.968324
  N      -5.937720      1.902139      5.031349
  C      -6.596139      0.899760      4.405869
  N      -7.722991      0.970668      3.719665
  C      -8.321904      2.201707      3.680094
  C      -9.555095      2.343932      3.002195
  C     -10.192427      3.570575      2.962888
  C      -9.623475      4.693548      3.602203
  C      -8.415472      4.582659      4.267162
  C      -7.732847      3.342939      4.311389
  C      -0.432535      1.297884      4.299713
  C      -1.437974      0.315589      4.828456
  C      -2.473717     -0.318719      4.182644
  C      -2.998494     -0.134428      2.858020
  N      -2.506116      0.858148      2.072085
  C      -3.054687      1.044903      0.859935
  N      -4.050536      0.378585      0.293208
  C      -4.591732     -0.625992      1.057096
  C      -5.693532     -1.348817      0.543241
  C      -6.287996     -2.352580      1.286350
  C      -5.789158     -2.679870      2.562450
  C      -4.703714     -1.995153      3.081047
  C      -4.087859     -0.947384      2.359042
  C      -3.444073      0.544367      7.697319
  C      -4.592363      0.940762      8.582400
  C      -5.888755      0.586338      8.453234
  C      -6.409438     -0.416879      7.532384
  N      -5.593799     -1.409779      7.151175
  C      -6.127629     -2.387591      6.382626
  N      -7.375312     -2.511150      5.963944
  C      -8.217336     -1.482471      6.289228
  C      -9.546667     -1.498918      5.804088
  C     -10.388862     -0.434110      6.053875
  C      -9.937072      0.681113      6.794596
  C      -8.651951      0.711250      7.299977
  C      -7.768985     -0.372622      7.073060
  H      -3.937961      6.089903      6.199334
  H      -4.061039      5.599502      7.899817
  H      -4.753361      3.224260      7.100896
  H      -5.798987      5.204929      4.987269
  H      -6.114943     -0.081108      4.456180
  H      -9.978420      1.459627      2.523934
  H     -11.145335      3.673157      2.440810
  H     -10.142459      5.653037      3.573925
  H      -7.991298      5.450715      4.773726
  H       0.556474      0.801286      4.238748
  H      -0.692216      1.600492      3.274874
  H      -1.239355     -0.015961      5.851765
  H      -3.009114     -1.046125      4.794129
  H      -2.625705      1.869441      0.277150
  H      -6.060745     -1.074493     -0.446823
  H      -7.148843     -2.891681      0.887275
  H      -6.269499     -3.460384      3.154100
  H      -4.329850     -2.261535      4.069241
  H      -3.048082     -0.451637      7.975805
  H      -3.800393      0.441304      6.659982
  H      -4.346802      1.678513      9.353315
  H      -6.620279      1.075994      9.100106
  H      -5.434830     -3.182558      6.085722
  H      -9.863321     -2.356285      5.209004
  H     -11.406317     -0.440578      5.659340
  H     -10.604921      1.528910      6.954711
  H      -8.301401      1.588652      7.844230
  N      -3.170604      2.745959      4.446748
  H      -4.101978      2.335831      4.653087
  H      -2.762204      2.206932      3.666457
  H      -3.347277      3.691290      4.096238
93
Coordinates from ORCA-job orca E -6201.298089892875
  N      -2.463307      4.696856      6.861975
  Mo     -1.948875      2.830505      6.320909
  N      -2.382373      1.544066      7.737206
  C      -1.536660      1.440774      8.922852
  C      -0.801342      2.755155      9.119270
  N      -0.358951      3.275407      7.796947
  C      -0.214066      4.756180      7.807922
  C      -1.588505      5.404703      7.793733
  C       0.885207      2.609273      7.318153
  C       0.969819      2.749854      5.799579
  N      -0.331798      2.459627      5.203890
  H      -1.470881      6.468583      7.507931
  H      -2.029752      5.416049      8.812559
  H       0.330902      5.036261      6.896679
  H       0.380898      5.082765      8.678682
  H       1.743212      2.063942      5.415533
  H       1.300872      3.770143      5.530807
  H       0.801741      1.544694      7.578430
  H       1.766455      3.028055      7.837189
  H      -2.134627      1.229409      9.828420
  H      -0.829262      0.591419      8.822152
  H      -1.500330      3.491083      9.538303
  H       0.058110      2.661989      9.805164
  C      -3.815480      5.231735      6.876684
  C      -4.784880      4.149835      6.506201
  C      -5.683325      4.248625      5.494033
  C      -6.468908      3.143908      4.967310
  N      -5.936018      1.906941      5.036236
  C      -6.595355      0.903811      4.413449
  N      -7.721438      0.974045      3.725599
  C      -8.317094      2.206513      3.679237
  C      -9.548387      2.348771      2.997959
  C     -10.182216      3.577001      2.950647
  C      -9.611518      4.701473      3.585562
  C      -8.405421      4.590464      4.254138
  C      -7.726242      3.349215      4.306327
  C      -0.434179      1.306076      4.293560
  C      -1.434361      0.318377      4.822784
  C      -2.471016     -0.316294      4.179574
  C      -3.000420     -0.131502      2.856629
  N      -2.508831      0.859023      2.067936
  C      -3.061608      1.045254      0.857479
  N      -4.060482      0.379856      0.295155
  C      -4.600858     -0.622841      1.062236
  C      -5.705614     -1.344412      0.553026
  C      -6.299317     -2.346117      1.299476
  C      -5.796557     -2.672631      2.574300
  C      -4.708117     -1.989211      3.088161
  C      -4.092923     -0.943330      2.362762
  C      -3.448024      0.545559      7.695267
  C      -4.597106      0.941907      8.579747
  C      -5.892372      0.582841      8.452935
  C      -6.410312     -0.424097      7.534446
  N      -5.591558     -1.414829      7.154684
  C      -6.121792     -2.394936      6.386498
  N      -7.368426     -2.522030      5.966118
  C      -8.213924     -1.495862      6.290436
  C      -9.542767     -1.516867      5.804066
  C     -10.389236     -0.455662      6.054520
  C      -9.942379      0.660383      6.797065
  C      -8.657628      0.695250      7.302934
  C      -7.770100     -0.384697      7.075012
  H      -3.927862      6.095805      6.191549
  H      -4.055621      5.611978      7.893791
  H      -4.747129      3.234094      7.100474
  H      -5.793516      5.211219      4.983951
  H      -6.116816     -0.078058      4.468506
  H      -9.972808      1.463125      2.523128
  H     -11.133502      3.679720      2.425647
  H     -10.127413      5.662439      3.551324
  H      -7.980715      5.460177      4.757386
  H       0.556461      0.813869      4.225633
  H      -0.700069      1.612750      3.271550
  H      -1.232410     -0.012799      5.845583
  H      -3.004227     -1.044739      4.791740
  H      -2.633468      1.868215      0.271833
  H      -6.075516     -1.070679     -0.436200
  H      -7.162542     -2.884110      0.904083
  H      -6.276498     -3.451126      3.168919
  H      -4.331168     -2.255314      4.075304
  H      -3.053926     -0.451562      7.971873
  H      -3.804033      0.445340      6.657376
  H      -4.353230      1.683791      9.347222
  H      -6.625232      1.072269      9.098387
  H      -5.426418     -3.188566      6.091933
  H      -9.855820     -2.375040      5.208245
  H     -11.406503     -0.465689      5.659567
  H     -10.613994      1.504972      6.958343
  H      -8.310841      1.573315      7.848458
  N      -3.170728      2.747164      4.447323
  H      -4.101200      2.335020      4.654456
  H      -2.761848      2.209256      3.666830
  H      -3.350111      3.692539      4.098506
93
Coordinates from ORCA-job orca E -6201.298107357281
  N      -2.457288      4.701624      6.859168
  Mo     -1.950464      2.832237      6.322173
  N      -2.387089      1.546973      7.738966
  C      -1.541673      1.442011      8.924526
  C      -0.803434      2.754941      9.120521
  N      -0.359778      3.273872      7.797762
  C      -0.209836      4.754539      7.809245
  C      -1.582000      5.407121      7.792716
  C       0.883110      2.604820      7.319677
  C       0.969153      2.746182      5.801207
  N      -0.332872      2.460451      5.204380
  H      -1.461646      6.470595      7.506826
  H      -2.025496      5.419097      8.810538
  H       0.337443      5.032480      6.898750
  H       0.385239      5.077828      8.681060
  H       1.740574      2.057660      5.417784
  H       1.304366      3.765380      5.533286
  H       0.797518      1.540495      7.580134
  H       1.765105      3.022027      7.838794
  H      -2.140244      1.231810      9.829989
  H      -0.835922      0.591256      8.823946
  H      -1.500842      3.492635      9.539152
  H       0.056049      2.660536      9.806151
  C      -3.808003      5.240820      6.870831
  C      -4.778379      4.159227      6.502439
  C      -5.676235      4.255060      5.489088
  C      -6.463063      3.150276      4.965411
  N      -5.933354      1.911840      5.039657
  C      -6.594431      0.908205      4.419893
  N      -7.720145      0.978381      3.731178
  C      -8.312901      2.212108      3.679770
  C      -9.543611      2.354677      2.997517
  C     -10.174238      3.584366      2.944486
  C      -9.600852      4.710004      3.574725
  C      -8.395326      4.598651      4.244473
  C      -7.719398      3.355905      4.302355
  C      -0.435755      1.309888      4.290067
  C      -1.432809      0.318547      4.819014
  C      -2.470490     -0.314897      4.177463
  C      -3.002188     -0.129195      2.855332
  N      -2.509593      0.859429      2.065215
  C      -3.065505      1.047073      0.856307
  N      -4.067969      0.384512      0.297121
  C      -4.608974     -0.616658      1.065880
  C      -5.716916     -1.335440      0.559673
  C      -6.311350     -2.335218      1.308064
  C      -5.806255     -2.662497      2.581844
  C      -4.714634     -1.981936      3.092593
  C      -4.098385     -0.938072      2.365091
  C      -3.453230      0.549585      7.694842
  C      -4.604377      0.945948      8.576946
  C      -5.898231      0.581473      8.451327
  C      -6.411980     -0.431281      7.536879
  N      -5.588807     -1.419746      7.160867
  C      -6.114068     -2.404665      6.395457
  N      -7.359133     -2.537268      5.972465
  C      -8.209272     -1.513748      6.292991
  C      -9.537092     -1.541511      5.804134
  C     -10.389427     -0.484692      6.053115
  C      -9.949607      0.633600      6.796462
  C      -8.665615      0.675621      7.303645
  C      -7.771906     -0.399406      7.076837
  H      -3.916588      6.103307      6.183241
  H      -4.047516      5.624301      7.886854
  H      -4.739119      3.245510      7.099466
  H      -5.786078      5.217050      4.977822
  H      -6.117537     -0.074313      4.477337
  H      -9.969928      1.467974      2.526337
  H     -11.124970      3.687370      2.418526
  H     -10.114033      5.672265      3.536214
  H      -7.969037      5.469553      4.744279
  H       0.555647      0.820086      4.217503
  H      -0.705774      1.619682      3.270092
  H      -1.229339     -0.011174      5.842052
  H      -3.004009     -1.043053      4.789685
  H      -2.636688      1.868368      0.268832
  H      -6.088440     -1.061004     -0.428747
  H      -7.176941     -2.871118      0.915004
  H      -6.287141     -3.439053      3.178218
  H      -4.335737     -2.249147      4.078720
  H      -3.060789     -0.448258      7.970889
  H      -3.808031      0.450084      6.656298
  H      -4.363525      1.693212      9.340162
  H      -6.633340      1.071721      9.093506
  H      -5.414990     -3.196646      6.105195
  H      -9.844904     -2.401670      5.208447
  H     -11.406052     -0.499936      5.656669
  H     -10.626278      1.474170      6.957582
  H      -8.324233      1.555677      7.849292
  N      -3.169377      2.748126      4.447464
  H      -4.099103      2.333968      4.655182
  H      -2.759353      2.211712      3.666868
  H      -3.351667      3.693409      4.099995
93
Coordinates from ORCA-job orca E -6201.298123301055
  N      -2.450639      4.707145      6.855527
  Mo     -1.951261      2.834239      6.323255
  N      -2.392645      1.552771      7.742028
  C      -1.548019      1.447141      8.928039
  C      -0.805120      2.757980      9.121987
  N      -0.359313      3.273642      7.798491
  C      -0.203946      4.753945      7.807816
  C      -1.573565      5.411299      7.788713
  C       0.881323      2.599599      7.322052
  C       0.969406      2.739740      5.803410
  N      -0.333221      2.459245      5.205661
  H      -1.449914      6.473767      7.500726
  H      -2.018222      5.426052      8.805979
  H       0.345882      5.028030      6.897714
  H       0.391346      5.075714      8.680017
  H       1.738471      2.047727      5.421545
  H       1.309625      3.757311      5.535412
  H       0.791614      1.535817      7.583289
  H       1.764816      3.013807      7.841122
  H      -2.147696      1.240612      9.833637
  H      -0.845002      0.593968      8.829108
  H      -1.499341      3.498958      9.540136
  H       0.054126      2.661024      9.807561
  C      -3.800225      5.249484      6.866447
  C      -4.771829      4.168399      6.499930
  C      -5.669391      4.261931      5.485968
  C      -6.457660      3.157310      4.964977
  N      -5.929732      1.917959      5.041426
  C      -6.591831      0.914430      4.422737
  N      -7.718092      0.984775      3.734879
  C      -8.309794      2.219022      3.682400
  C      -9.541358      2.361842      3.001739
  C     -10.170673      3.592178      2.947451
  C      -9.595149      4.718274      3.574773
  C      -8.388726      4.606686      4.243019
  C      -7.714213      3.363236      4.302130
  C      -0.438170      1.310957      4.288657
  C      -1.434128      0.318055      4.817288
  C      -2.473313     -0.313641      4.177602
  C      -3.006290     -0.128121      2.855632
  N      -2.512963      0.858786      2.064124
  C      -3.071135      1.046822      0.856230
  N      -4.076374      0.386177      0.299808
  C      -4.616878     -0.614394      1.069695
  C      -5.726379     -1.332334      0.565643
  C      -6.319601     -2.331961      1.315115
  C      -5.811929     -2.659940      2.587760
  C      -4.718956     -1.980107      3.096475
  C      -4.103909     -0.936242      2.367826
  C      -3.458315      0.555555      7.695188
  C      -4.612346      0.950311      8.574352
  C      -5.904648      0.580717      8.447794
  C      -6.413398     -0.436466      7.535542
  N      -5.585160     -1.421726      7.162013
  C      -6.104779     -2.410515      6.397819
  N      -7.348193     -2.548717      5.971909
  C      -8.203323     -1.528430      6.289343
  C      -9.529713     -1.562322      5.797007
  C     -10.388070     -0.510141      6.044950
  C      -9.955821      0.609530      6.790582
  C      -8.673006      0.658041      7.300169
  C      -7.773045     -0.411817      7.074058
  H      -3.906990      6.111526      6.178087
  H      -4.038363      5.634355      7.882294
  H      -4.731512      3.256696      7.099690
  H      -5.779207      5.223097      4.973100
  H      -6.115838     -0.068441      4.481143
  H      -9.969290      1.474721      2.532793
  H     -11.122077      3.695285      2.422710
  H     -10.107368      5.681015      3.535404
  H      -7.960830      5.477868      4.740929
  H       0.552869      0.821087      4.212220
  H      -0.710725      1.623647      3.270255
  H      -1.229978     -0.009666      5.840967
  H      -3.007599     -1.040859      4.790248
  H      -2.641885      1.866658      0.267062
  H      -6.099761     -1.057513     -0.421961
  H      -7.186148     -2.867499      0.923661
  H      -6.292093     -3.436377      3.184864
  H      -4.338095     -2.248116      4.081639
  H      -3.066722     -0.442836      7.970510
  H      -3.811233      0.456114      6.655859
  H      -4.375381      1.701475      9.334977
  H      -6.642508      1.070710      9.086968
  H      -5.401859     -3.200597      6.111655
  H      -9.831780     -2.423684      5.200118
  H     -11.403630     -0.530041      5.645990
  H     -10.637547      1.445959      6.951923
  H      -8.337524      1.539495      7.847175
  N      -3.168055      2.749114      4.447994
  H      -4.097384      2.334128      4.657226
  H      -2.757543      2.213270      3.667505
  H      -3.352533      3.693987      4.100500
93
Coordinates from ORCA-job orca E -6201.298140403299
  N      -2.443983      4.712806      6.851031
  Mo     -1.951946      2.836404      6.323617
  N      -2.398663      1.560245      7.745268
  C      -1.555332      1.454808      8.932249
  C      -0.806534      2.762989      9.123002
  N      -0.358129      3.274385      7.798752
  C      -0.197520      4.754119      7.804435
  C      -1.564614      5.416473      7.782465
  C       0.879491      2.594329      7.324082
  C       0.969549      2.732672      5.805176
  N      -0.333572      2.456768      5.206604
  H      -1.437352      6.477547      7.491069
  H      -2.009706      5.435511      8.799453
  H       0.355115      5.023712      6.894735
  H       0.397720      5.075813      8.676739
  H       1.736770      2.037779      5.424910
  H       1.313940      3.748827      5.536920
  H       0.784384      1.531109      7.585797
  H       1.765032      3.004195      7.843206
  H      -2.156669      1.254126      9.838091
  H      -0.856024      0.598310      8.836412
  H      -1.496322      3.508210      9.540939
  H       0.052293      2.662291      9.808642
  C      -3.792908      5.256778      6.862501
  C      -4.765068      4.175518      6.497605
  C      -5.662936      4.266380      5.483626
  C      -6.452071      3.161487      4.965226
  N      -5.925424      1.921548      5.044345
  C      -6.587752      0.917663      4.426525
  N      -7.713740      0.987682      3.738266
  C      -8.305308      2.222025      3.684815
  C      -9.537612      2.364290      3.005371
  C     -10.166714      3.594731      2.950285
  C      -9.590301      4.721564      3.575344
  C      -8.383072      4.610532      4.242345
  C      -7.708905      3.366940      4.302341
  C      -0.440406      1.308589      4.289669
  C      -1.437029      0.315604      4.817276
  C      -2.477764     -0.313421      4.178559
  C      -3.009887     -0.127491      2.855888
  N      -2.513914      0.857867      2.064440
  C      -3.073083      1.048529      0.857348
  N      -4.082056      0.392280      0.302523
  C      -4.624014     -0.607717      1.071967
  C      -5.736232     -1.322176      0.568828
  C      -6.329970     -2.321794      1.317796
  C      -5.820551     -2.653225      2.588900
  C      -4.725283     -1.976645      3.096911
  C      -4.109631     -0.932716      2.368777
  C      -3.463245      0.562466      7.696204
  C      -4.619897      0.954975      8.572840
  C      -5.910728      0.580611      8.445209
  C      -6.414804     -0.440904      7.535377
  N      -5.581966     -1.423616      7.164948
  C      -6.096633     -2.416805      6.403235
  N      -7.338580     -2.560451      5.974796
  C      -8.198067     -1.542638      6.288182
  C      -9.523055     -1.582204      5.792535
  C     -10.386533     -0.533606      6.037932
  C      -9.960898      0.588066      6.784274
  C      -8.679307      0.642518      7.296404
  C      -7.774074     -0.423249      7.072542
  H      -3.899581      6.118980      6.174337
  H      -4.029904      5.641845      7.878597
  H      -4.723059      3.266105      7.100391
  H      -5.773544      5.226324      4.968549
  H      -6.111385     -0.064992      4.485413
  H      -9.966325      1.476649      2.538115
  H     -11.118783      3.697216      2.426607
  H     -10.102552      5.684258      3.535288
  H      -7.954118      5.482019      4.738795
  H       0.549715      0.817045      4.212096
  H      -0.712784      1.622413      3.271568
  H      -1.234126     -0.009914      5.842048
  H      -3.014594     -1.038557      4.791421
  H      -2.641314      1.866633      0.267695
  H      -6.110957     -1.044896     -0.417569
  H      -7.198297     -2.854980      0.927046
  H      -6.301226     -3.429857      3.185320
  H      -4.343279     -2.247391      4.080853
  H      -3.071640     -0.436131      7.971077
  H      -3.814365      0.462191      6.656261
  H      -4.386647      1.709175      9.331631
  H      -6.650977      1.070246      9.081877
  H      -5.390185     -3.205081      6.120810
  H      -9.820059     -2.445253      5.195521
  H     -11.400975     -0.557838      5.636376
  H     -10.646739      1.421364      6.944357
  H      -8.349035      1.525879      7.843499
  N      -3.166419      2.749538      4.447909
  H      -4.095138      2.333288      4.658648
  H      -2.755122      2.214373      3.667531
  H      -3.353492      3.693646      4.099574
93
Coordinates from ORCA-job orca E -6201.298157460204
  N      -2.438302      4.718672      6.848473
  Mo     -1.952402      2.839502      6.323855
  N      -2.404025      1.567107      7.746894
  C      -1.561945      1.461095      8.934795
  C      -0.807706      2.766655      9.123667
  N      -0.356807      3.275299      7.799396
  C      -0.191984      4.754394      7.802732
  C      -1.557013      5.421094      7.778855
  C       0.877882      2.590132      7.325528
  C       0.969447      2.727721      5.806448
  N      -0.334169      2.455979      5.206907
  H      -1.426199      6.481210      7.485559
  H      -2.002100      5.443214      8.795775
  H       0.363099      5.020862      6.893639
  H       0.402974      5.076264      8.675240
  H       1.735216      2.030872      5.426989
  H       1.316914      3.742963      5.538551
  H       0.777644      1.527174      7.586589
  H       1.765318      2.995298      7.845154
  H      -2.164824      1.265477      9.840745
  H      -0.866202      0.601530      8.841325
  H      -1.493192      3.515486      9.542189
  H       0.050553      2.661463      9.809455
  C      -3.787155      5.262425      6.861728
  C      -4.759078      4.180336      6.497823
  C      -5.658181      4.269358      5.484703
  C      -6.446795      3.163770      4.967647
  N      -5.919987      1.923855      5.049116
  C      -6.580545      0.919187      4.430761
  N      -7.705396      0.987853      3.740656
  C      -8.298125      2.221708      3.686144
  C      -9.530164      2.362360      3.005925
  C     -10.160569      3.592145      2.949921
  C      -9.585790      4.719963      3.574580
  C      -8.378740      4.610505      4.242241
  C      -7.703336      3.367655      4.303276
  C      -0.442819      1.308665      4.289369
  C      -1.439165      0.314896      4.816213
  C      -2.481503     -0.312658      4.179398
  C      -3.014145     -0.126988      2.856377
  N      -2.517566      0.857447      2.064549
  C      -3.079289      1.050232      0.858871
  N      -4.092272      0.397715      0.307047
  C      -4.633408     -0.602625      1.076319
  C      -5.748531     -1.314433      0.575706
  C      -6.339842     -2.315732      1.324238
  C      -5.825333     -2.651683      2.592139
  C      -4.727798     -1.977280      3.098054
  C      -4.114909     -0.931175      2.370633
  C      -3.467498      0.568534      7.695125
  C      -4.625572      0.957269      8.571370
  C      -5.915193      0.579073      8.443100
  C      -6.416080     -0.443919      7.533265
  N      -5.580059     -1.424237      7.163278
  C      -6.091472     -2.419162      6.401704
  N      -7.332657     -2.566158      5.971997
  C      -8.194992     -1.550415      6.284061
  C      -9.519070     -1.592840      5.786257
  C     -10.385548     -0.546499      6.030785
  C      -9.963902      0.575705      6.778558
  C      -8.683212      0.633021      7.292688
  C      -7.774945     -0.430232      7.069491
  H      -3.895468      6.125235      6.174540
  H      -4.023639      5.646631      7.878339
  H      -4.715357      3.272849      7.103129
  H      -5.770467      5.228293      4.968043
  H      -6.103146     -0.062855      4.491266
  H      -9.957828      1.474087      2.538909
  H     -11.112577      3.693114      2.425819
  H     -10.099327      5.681935      3.533684
  H      -7.950513      5.482393      4.738633
  H       0.546501      0.815862      4.209050
  H      -0.715661      1.624093      3.271882
  H      -1.236891     -0.008895      5.841806
  H      -3.019215     -1.036186      4.793364
  H      -2.646291      1.866992      0.268361
  H      -6.127078     -1.034208     -0.408386
  H      -7.210186     -2.847151      0.935565
  H      -6.303847     -3.430261      3.187747
  H      -4.342138     -2.251266      4.079633
  H      -3.075278     -0.430550      7.967706
  H      -3.817599      0.469380      6.654683
  H      -4.394936      1.712023      9.330422
  H      -6.656810      1.066640      9.079795
  H      -5.382902     -3.206060      6.120763
  H      -9.812989     -2.456313      5.188309
  H     -11.399207     -0.572927      5.627404
  H     -10.651993      1.407220      6.938242
  H      -8.356164      1.516987      7.840769
  N      -3.165630      2.750770      4.447729
  H      -4.093401      2.333132      4.660797
  H      -2.754371      2.215783      3.667306
  H      -3.355527      3.693861      4.098011
93
Coordinates from ORCA-job orca E -6201.298178425152
  N      -2.433146      4.725053      6.846653
  Mo     -1.953637      2.843689      6.323244
  N      -2.409709      1.574299      7.747070
  C      -1.568638      1.466972      8.935745
  C      -0.808548      2.769458      9.123419
  N      -0.355571      3.276532      7.799620
  C      -0.187162      4.754919      7.801910
  C      -1.550459      5.425626      7.776653
  C       0.875943      2.586944      7.325090
  C       0.967901      2.725254      5.806003
  N      -0.336063      2.456042      5.205551
  H      -1.415964      6.485136      7.482731
  H      -1.995411      5.449944      8.793579
  H       0.370206      5.019608      6.893740
  H       0.407178      5.077029      8.674854
  H       1.733271      2.028322      5.426071
  H       1.316075      3.740529      5.539157
  H       0.770741      1.523915      7.584223
  H       1.765410      2.986777      7.845387
  H      -2.172966      1.276426      9.841845
  H      -0.877002      0.603989      8.844210
  H      -1.489270      3.521698      9.543549
  H       0.049250      2.658686      9.809054
  C      -3.782757      5.266125      6.863001
  C      -4.752601      4.181692      6.499259
  C      -5.654440      4.268796      5.488144
  C      -6.440769      3.161646      4.971711
  N      -5.912971      1.922180      5.057062
  C      -6.570023      0.915750      4.438058
  N      -7.692371      0.981620      3.743732
  C      -8.286921      2.214608      3.686046
  C      -9.517207      2.352218      3.002131
  C     -10.149906      3.580755      2.943097
  C      -9.579220      4.710347      3.568161
  C      -8.373818      4.603829      4.239305
  C      -7.696092      3.362445      4.303538
  C      -0.445257      1.307555      4.289732
  C      -1.441959      0.313619      4.815524
  C      -2.485705     -0.312372      4.179945
  C      -3.017990     -0.125984      2.856292
  N      -2.520225      0.858246      2.065421
  C      -3.084237      1.055206      0.861333
  N      -4.102086      0.408322      0.312004
  C      -4.643229     -0.592873      1.079754
  C      -5.762459     -1.299804      0.581272
  C      -6.351753     -2.303676      1.327833
  C      -5.831284     -2.647391      2.591241
  C      -4.730482     -1.977197      3.095549
  C      -4.120123     -0.927847      2.370651
  C      -3.472177      0.574687      7.693392
  C      -4.629954      0.958981      8.571655
  C      -5.918631      0.577443      8.444314
  C      -6.417789     -0.445649      7.533709
  N      -5.579956     -1.424246      7.163020
  C      -6.089768     -2.419655      6.401056
  N      -7.330788     -2.568526      5.971222
  C      -8.194635     -1.554163      6.283348
  C      -9.518404     -1.597744      5.784848
  C     -10.385996     -0.552192      6.028795
  C      -9.965857      0.570347      6.776957
  C      -8.685649      0.628564      7.292217
  C      -7.776344     -0.433889      7.069573
  H      -3.894605      6.129967      6.177615
  H      -4.019653      5.648145      7.880413
  H      -4.705811      3.276003      7.106715
  H      -5.770187      5.226941      4.970781
  H      -6.090901     -0.065248      4.502060
  H      -9.942060      1.462767      2.534798
  H     -11.100744      3.679043      2.416351
  H     -10.094822      5.671101      3.524726
  H      -7.948131      5.476725      4.736142
  H       0.543442      0.813428      4.209340
  H      -0.716552      1.622458      3.271650
  H      -1.241571     -0.008952      5.841988
  H      -3.024982     -1.033902      4.794874
  H      -2.648979      1.870832      0.271033
  H      -6.145383     -1.014350     -0.399608
  H      -7.225138     -2.831509      0.941101
  H      -6.307634     -3.428942      3.184662
  H      -4.340315     -2.256881      4.073694
  H      -3.078502     -0.424780      7.962780
  H      -3.822694      0.477669      6.652893
  H      -4.400564      1.712830      9.331981
  H      -6.660468      1.062050      9.083065
  H      -5.379987     -3.205142      6.119226
  H      -9.811124     -2.461403      5.186561
  H     -11.399326     -0.579598      5.624657
  H     -10.654490      1.401555      6.935878
  H      -8.359907      1.512829      7.840636
  N      -3.164895      2.752186      4.446138
  H      -4.090976      2.331709      4.661393
  H      -2.753256      2.217646      3.665584
  H      -3.358780      3.693914      4.094805
93
Coordinates from ORCA-job orca E -6201.298202555954
  N      -2.429387      4.731792      6.848287
  Mo     -1.955354      2.849613      6.322342
  N      -2.414494      1.579185      7.743871
  C      -1.573775      1.468172      8.932658
  C      -0.809678      2.768089      9.122509
  N      -0.355364      3.277150      7.800295
  C      -0.184375      4.754963      7.805466
  C      -1.546534      5.428615      7.780404
  C       0.873846      2.585518      7.323308
  C       0.965448      2.727181      5.804588
  N      -0.338752      2.459749      5.202898
  H      -1.408835      6.488550      7.489352
  H      -1.991776      5.451828      8.797226
  H       0.374558      5.020785      6.898606
  H       0.409268      5.075581      8.679497
  H       1.730946      2.031521      5.422756
  H       1.312914      3.743287      5.540089
  H       0.765428      1.521936      7.579073
  H       1.764662      2.980830      7.844720
  H      -2.178871      1.279047      9.838558
  H      -0.885172      0.602925      8.840305
  H      -1.487222      3.521673      9.545331
  H       0.047767      2.651907      9.807797
  C      -3.780396      5.268419      6.868134
  C      -4.746399      4.180342      6.503605
  C      -5.651667      4.265952      5.494826
  C      -6.433718      3.156723      4.977491
  N      -5.903916      1.918065      5.067496
  C      -6.555715      0.909245      4.447335
  N      -7.674296      0.971148      3.746563
  C      -8.271151      2.202968      3.683797
  C      -9.497842      2.336541      2.992814
  C     -10.133604      3.563341      2.928657
  C      -9.569572      4.695125      3.555606
  C      -8.367631      4.592493      4.233590
  C      -7.686654      3.353228      4.303011
  C      -0.447632      1.311945      4.286461
  C      -1.441987      0.315568      4.811831
  C      -2.486827     -0.310791      4.178664
  C      -3.021954     -0.124020      2.855631
  N      -2.527050      0.861425      2.065005
  C      -3.096983      1.062143      0.864115
  N      -4.119835      0.419273      0.319669
  C      -4.656855     -0.584499      1.086589
  C      -5.780248     -1.288267      0.592999
  C      -6.363284     -2.296697      1.338239
  C      -5.832098     -2.648647      2.594928
  C      -4.727929     -1.980864      3.094931
  C      -4.124689     -0.925938      2.372139
  C      -3.476762      0.579083      7.687818
  C      -4.632275      0.958128      8.571129
  C      -5.920406      0.574184      8.446605
  C      -6.420162     -0.446317      7.533260
  N      -5.582890     -1.424253      7.159702
  C      -6.093571     -2.417198      6.395052
  N      -7.335174     -2.564830      5.966264
  C      -8.198313     -1.550826      6.281285
  C      -9.522477     -1.592214      5.783643
  C     -10.388479     -0.545711      6.029050
  C      -9.966445      0.575585      6.778147
  C      -8.686149      0.631174      7.293422
  C      -7.778578     -0.432517      7.069401
  H      -3.896692      6.133206      6.184628
  H      -4.018525      5.647733      7.886325
  H      -4.696427      3.275866      7.112507
  H      -5.771966      5.224051      4.978509
  H      -6.074398     -0.070381      4.516185
  H      -9.917949      1.445532      2.524156
  H     -11.081793      3.658220      2.396526
  H     -10.087692      5.654338      3.508133
  H      -7.946774      5.466904      4.731923
  H       0.541465      0.819029      4.203206
  H      -0.720010      1.627391      3.268819
  H      -1.241775     -0.006538      5.838552
  H      -3.024899     -1.031769      4.795286
  H      -2.662677      1.877889      0.273399
  H      -6.171037     -0.997397     -0.383170
  H      -7.239992     -2.822091      0.955751
  H      -6.302750     -3.434891      3.186669
  H      -4.329181     -2.266652      4.067831
  H      -3.081537     -0.421269      7.951583
  H      -3.829471      0.487541      6.647583
  H      -4.402304      1.709347      9.333857
  H      -6.661083      1.054562      9.089940
  H      -5.384514     -3.202250      6.110223
  H      -9.816625     -2.454712      5.184370
  H     -11.402044     -0.571532      5.625396
  H     -10.653491      1.408018      6.937516
  H      -8.358961      1.514280      7.842875
  N      -3.164512      2.755677      4.443801
  H      -4.088151      2.331156      4.661563
  H      -2.752791      2.221972      3.662696
  H      -3.363479      3.696072      4.091714
93
Coordinates from ORCA-job orca E -6201.298234899112
  N      -2.427177      4.738956      6.851237
  Mo     -1.959238      2.857037      6.320129
  N      -2.419550      1.584440      7.739346
  C      -1.577367      1.468390      8.926979
  C      -0.809893      2.765716      9.120033
  N      -0.356126      3.278502      7.799386
  C      -0.183234      4.755850      7.809651
  C      -1.544794      5.431465      7.786344
  C       0.871158      2.586544      7.317921
  C       0.960018      2.732854      5.799853
  N      -0.344356      2.463572      5.198159
  H      -1.404748      6.492453      7.500089
  H      -1.990295      5.451553      8.803108
  H       0.375989      5.024737      6.903880
  H       0.410199      5.073895      8.684779
  H       1.727109      2.041005      5.414375
  H       1.303009      3.750964      5.537675
  H       0.761389      1.522198      7.570096
  H       1.763235      2.978590      7.839599
  H      -2.181881      1.278493      9.833112
  H      -0.891535      0.601308      8.831436
  H      -1.484856      3.519519      9.546585
  H       0.048058      2.644567      9.803876
  C      -3.780803      5.267700      6.876742
  C      -4.739912      4.173995      6.509581
  C      -5.650152      4.258868      5.504169
  C      -6.426570      3.147498      4.984645
  N      -5.894260      1.909762      5.078565
  C      -6.540586      0.898552      4.457317
  N      -7.655569      0.956158      3.750251
  C      -8.254548      2.186816      3.681960
  C      -9.477068      2.316260      2.983008
  C     -10.116147      3.541121      2.913451
  C      -9.559541      4.674961      3.543141
  C      -8.361601      4.576292      4.228793
  C      -7.676967      3.339439      4.303516
  C      -0.451203      1.312090      4.285735
  C      -1.446011      0.316479      4.811073
  C      -2.491135     -0.309742      4.178079
  C      -3.026572     -0.121773      2.854991
  N      -2.534426      0.866660      2.066788
  C      -3.107279      1.071129      0.867702
  N      -4.131949      0.430421      0.324484
  C      -4.665332     -0.577455      1.088353
  C      -5.789740     -1.280099      0.595585
  C      -6.367208     -2.294473      1.337036
  C      -5.828935     -2.653977      2.588585
  C      -4.724290     -1.986730      3.088148
  C      -4.127534     -0.924999      2.369976
  C      -3.481875      0.583571      7.683242
  C      -4.632965      0.957517      8.574269
  C      -5.920957      0.572166      8.454183
  C      -6.423024     -0.443728      7.536645
  N      -5.588121     -1.421656      7.158415
  C      -6.101327     -2.409633      6.388914
  N      -7.343940     -2.553484      5.961698
  C      -8.204829     -1.539374      6.282273
  C      -9.530002     -1.576239      5.786893
  C     -10.392448     -0.527635      6.035535
  C      -9.965963      0.591301      6.785863
  C      -8.685104      0.641755      7.300108
  C      -7.781342     -0.424679      7.073245
  H      -3.903592      6.134087      6.196409
  H      -4.020547      5.642009      7.896428
  H      -4.685437      3.269677      7.118229
  H      -5.777034      5.218256      4.992058
  H      -6.057696     -0.079950      4.532139
  H      -9.891866      1.423690      2.512599
  H     -11.061202      3.632590      2.375188
  H     -10.080229      5.632582      3.491669
  H      -7.946567      5.452344      4.729164
  H       0.538455      0.819679      4.206894
  H      -0.720610      1.623619      3.266097
  H      -1.248005     -0.005931      5.838097
  H      -3.029574     -1.030108      4.795122
  H      -2.674020      1.888579      0.278616
  H      -6.185525     -0.984213     -0.377049
  H      -7.244965     -2.818898      0.955670
  H      -6.294405     -3.446013      3.176658
  H      -4.319126     -2.278423      4.056684
  H      -3.083968     -0.417133      7.941262
  H      -3.839342      0.498072      6.644226
  H      -4.400600      1.704842      9.340057
  H      -6.659446      1.047506      9.103783
  H      -5.393950     -3.193986      6.098047
  H      -9.827518     -2.436518      5.186103
  H     -11.406744     -0.550065      5.633510
  H     -10.649868      1.426053      6.946583
  H      -8.354301      1.522653      7.850952
  N      -3.164081      2.759645      4.438990
  H      -4.084630      2.329533      4.658153
  H      -2.750919      2.227382      3.657438
  H      -3.368968      3.698714      4.086808
93
Coordinates from ORCA-job orca E -6201.298274119360
  N      -2.425611      4.747481      6.857777
  Mo     -1.964172      2.866907      6.318019
  N      -2.424148      1.587636      7.731668
  C      -1.579669      1.464186      8.917252
  C      -0.811692      2.759989      9.117096
  N      -0.358901      3.279470      7.798789
  C      -0.183434      4.756434      7.817809
  C      -1.544286      5.433883      7.797852
  C       0.867556      2.588737      7.312526
  C       0.953818      2.740968      5.795486
  N      -0.350838      2.470344      5.193957
  H      -1.402388      6.496609      7.518926
  H      -1.990704      5.448116      8.814283
  H       0.375322      5.030135      6.913143
  H       0.410576      5.068768      8.694519
  H       1.721932      2.052483      5.406027
  H       1.293174      3.760932      5.536132
  H       0.758118      1.523549      7.561178
  H       1.760067      2.979209      7.834593
  H      -2.182770      1.268564      9.823082
  H      -0.894646      0.597165      8.815240
  H      -1.486820      3.511547      9.547397
  H       0.046828      2.635657      9.799590
  C      -3.782001      5.267964      6.888014
  C      -4.732305      4.167064      6.518307
  C      -5.646299      4.250367      5.514564
  C      -6.416495      3.137416      4.991959
  N      -5.883203      1.899850      5.091736
  C      -6.524392      0.886624      4.469478
  N      -7.634299      0.940610      3.753807
  C      -8.233619      2.170800      3.677428
  C      -9.450087      2.297064      2.967586
  C     -10.090744      3.520692      2.889810
  C      -9.541592      4.656326      3.522550
  C      -8.349448      4.560675      4.218819
  C      -7.662821      3.325537      4.301560
  C      -0.455840      1.319228      4.280547
  C      -1.447506      0.321034      4.806288
  C      -2.492805     -0.306282      4.174725
  C      -3.032746     -0.117622      2.853358
  N      -2.546982      0.873998      2.065599
  C      -3.126925      1.080966      0.870149
  N      -4.153568      0.440308      0.331069
  C      -4.679749     -0.572035      1.094036
  C      -5.805323     -1.275542      0.605401
  C      -6.374888     -2.295135      1.345753
  C      -5.826739     -2.659468      2.591637
  C      -4.720992     -1.991185      3.087155
  C      -4.132857     -0.923454      2.370720
  C      -3.487295      0.586904      7.674829
  C      -4.633137      0.955533      8.575027
  C      -5.920833      0.567951      8.461344
  C      -6.425828     -0.443686      7.540067
  N      -5.594214     -1.422595      7.158266
  C      -6.110386     -2.405314      6.383754
  N      -7.353732     -2.544082      5.957283
  C      -8.211648     -1.529130      6.282924
  C      -9.537598     -1.560617      5.789120
  C     -10.396012     -0.509658      6.041307
  C      -9.964888      0.606319      6.793662
  C      -8.683604      0.650996      7.307110
  C      -7.784023     -0.418405      7.076972
  H      -3.911009      6.134660      6.209300
  H      -4.023303      5.638597      7.908646
  H      -4.674401      3.263139      7.127535
  H      -5.779162      5.211670      5.007846
  H      -6.041044     -0.091194      4.550774
  H      -9.859395      1.402909      2.495349
  H     -11.031070      3.609629      2.342916
  H     -10.063180      5.613132      3.465169
  H      -7.940934      5.438578      4.721339
  H       0.535491      0.830543      4.200779
  H      -0.727203      1.630213      3.261272
  H      -1.249193     -0.002022      5.832979
  H      -3.028736     -1.027756      4.792658
  H      -2.698440      1.901067      0.281317
  H      -6.208288     -0.976407     -0.363285
  H      -7.253966     -2.819975      0.968073
  H      -6.285621     -3.456125      3.178623
  H      -4.307165     -2.286751      4.050912
  H      -3.087183     -0.414618      7.925318
  H      -3.850905      0.510074      6.637346
  H      -4.397781      1.699776      9.342873
  H      -6.656895      1.037950      9.117561
  H      -5.405381     -3.190151      6.088502
  H      -9.838710     -2.418216      5.186322
  H     -11.410916     -0.527944      5.640591
  H     -10.645654      1.443261      6.956282
  H      -8.348737      1.529155      7.859855
  N      -3.163708      2.766176      4.433976
  H      -4.079829      2.328054      4.655224
  H      -2.748625      2.237426      3.651072
  H      -3.377344      3.704073      4.084001
93
Coordinates from ORCA-job orca E -6201.298897288776
  N      -2.435889      4.728325      6.846882
  Mo     -1.954196      2.849635      6.315198
  N      -2.411104      1.571092      7.730676
  C      -1.569086      1.455187      8.917677
  C      -0.814948      2.759520      9.119991
  N      -0.361505      3.281557      7.802908
  C      -0.199441      4.760275      7.817313
  C      -1.565271      5.424563      7.789718
  C       0.874600      2.602149      7.327000
  C       0.967408      2.750282      5.810578
  N      -0.331144      2.462676      5.207203
  H      -1.433406      6.488567      7.510718
  H      -2.017268      5.434004      8.803863
  H       0.360344      5.033969      6.913135
  H       0.388882      5.079915      8.695329
  H       1.743730      2.066817      5.427864
  H       1.298176      3.772375      5.548287
  H       0.775540      1.537204      7.580677
  H       1.760068      3.005974      7.851312
  H      -2.173483      1.253629      9.821408
  H      -0.875641      0.594589      8.817184
  H      -1.498892      3.505714      9.545733
  H       0.042250      2.644945      9.805864
  C      -3.798740      5.232219      6.870429
  C      -4.736842      4.125057      6.489320
  C      -5.649759      4.214264      5.485597
  C      -6.423329      3.107278      4.957342
  N      -5.876026      1.873741      5.020391
  C      -6.526540      0.864116      4.402319
  N      -7.659396      0.918945      3.724165
  C      -8.271278      2.145202      3.684581
  C      -9.510798      2.271204      3.015375
  C     -10.164116      3.489884      2.976390
  C      -9.605320      4.620868      3.609218
  C      -8.391058      4.525599      4.266315
  C      -7.690968      3.296113      4.307324
  C      -0.421472      1.314704      4.289700
  C      -1.421775      0.319306      4.805397
  C      -2.462824     -0.307677      4.164267
  C      -2.988863     -0.122842      2.836779
  N      -2.481947      0.855210      2.045173
  C      -3.045802      1.055951      0.841324
  N      -4.074389      0.423398      0.296777
  C      -4.621421     -0.575066      1.063289
  C      -5.746837     -1.272444      0.565031
  C      -6.334564     -2.282072      1.304141
  C      -5.805437     -2.642423      2.559403
  C      -4.700573     -1.980046      3.064495
  C      -4.093257     -0.921839      2.348817
  C      -3.481378      0.578342      7.680128
  C      -4.625790      0.970066      8.572031
  C      -5.919176      0.600556      8.459410
  C      -6.441078     -0.410191      7.546155
  N      -5.623596     -1.401579      7.164598
  C      -6.154527     -2.380223      6.395390
  N      -7.400491     -2.503849      5.973034
  C      -8.243956     -1.476755      6.298601
  C      -9.571790     -1.493214      5.808844
  C     -10.417277     -0.432198      6.062243
  C      -9.971007      0.679537      6.812086
  C      -8.687443      0.710367      7.320774
  C      -7.800751     -0.369290      7.088607
  H      -3.930912      6.100671      6.194866
  H      -4.048228      5.596043      7.891756
  H      -4.675310      3.214289      7.093237
  H      -5.788781      5.182649      4.993929
  H      -6.030504     -0.109620      4.448486
  H      -9.927158      1.380295      2.542947
  H     -11.122007      3.578497      2.460644
  H     -10.137056      5.573514      3.583564
  H      -7.975508      5.399627      4.770161
  H       0.570803      0.825683      4.221506
  H      -0.681442      1.631684      3.269997
  H      -1.233062     -0.001711      5.834956
  H      -3.007724     -1.024282      4.779914
  H      -2.593476      1.855732      0.242973
  H      -6.133749     -0.977381     -0.411549
  H      -7.212702     -2.802466      0.917966
  H      -6.278288     -3.431444      3.145749
  H      -4.302719     -2.274511      4.035008
  H      -3.091411     -0.423892      7.943592
  H      -3.842360      0.493927      6.643107
  H      -4.382964      1.720715      9.331392
  H      -6.648840      1.089205      9.109024
  H      -5.460474     -3.176252      6.104129
  H      -9.884954     -2.348290      5.208496
  H     -11.433925     -0.439603      5.665479
  H     -10.642148      1.523871      6.976916
  H      -8.341001      1.584863      7.872210
  N      -3.148602      2.730287      4.429347
  H      -4.041085      2.236204      4.637920
  H      -2.709216      2.242597      3.636509
  H      -3.411731      3.663629      4.101176
93
Coordinates from ORCA-job orca E -6201.297939221623
  N      -2.429449      4.730857      6.844798
  Mo     -1.942550      2.852995      6.308633
  N      -2.399204      1.566978      7.717575
  C      -1.556755      1.446924      8.902508
  C      -0.807663      2.754187      9.113976
  N      -0.354215      3.285408      7.799625
  C      -0.196684      4.765245      7.817683
  C      -1.562025      5.425191      7.791727
  C       0.887298      2.617416      7.324978
  C       0.979080      2.772111      5.809332
  N      -0.316866      2.468578      5.214681
  H      -1.436178      6.491685      7.519737
  H      -2.016743      5.423802      8.804979
  H       0.362944      5.038964      6.913287
  H       0.391901      5.081896      8.696770
  H       1.760315      2.093954      5.425928
  H       1.301383      3.796924      5.546756
  H       0.797487      1.551644      7.577866
  H       1.769487      3.029925      7.848802
  H      -2.160260      1.234536      9.804466
  H      -0.858424      0.591139      8.794155
  H      -1.493668      3.496751      9.542823
  H       0.050065      2.639164      9.799206
  C      -3.796941      5.222633      6.870373
  C      -4.732658      4.119218      6.474144
  C      -5.657666      4.234126      5.486223
  C      -6.475662      3.153926      4.972412
  N      -5.954973      1.908429      5.002539
  C      -6.665229      0.915065      4.425232
  N      -7.836901      0.998470      3.820728
  C      -8.420368      2.239620      3.817261
  C      -9.697768      2.396057      3.229990
  C     -10.323726      3.629326      3.234709
  C      -9.699326      4.745716      3.831652
  C      -8.447469      4.620814      4.408412
  C      -7.774852      3.375814      4.401250
  C      -0.393957      1.323068      4.294008
  C      -1.378370      0.316120      4.820593
  C      -2.408458     -0.342408      4.190243
  C      -2.947439     -0.186243      2.865188
  N      -2.468292      0.793048      2.057495
  C      -3.044790      0.960655      0.855271
  N      -4.063212      0.298627      0.326892
  C      -4.578587     -0.704701      1.108911
  C      -5.684290     -1.441132      0.621481
  C      -6.236378     -2.463313      1.369660
  C      -5.690623     -2.796462      2.625468
  C      -4.606168     -2.094295      3.120900
  C      -4.034141     -1.022543      2.394384
  C      -3.471882      0.578425      7.657164
  C      -4.641941      0.998316      8.500390
  C      -5.935717      0.642780      8.349052
  C      -6.441031     -0.386279      7.446133
  N      -5.626114     -1.401396      7.123246
  C      -6.144358     -2.397323      6.368453
  N      -7.375308     -2.514827      5.904233
  C      -8.212823     -1.465321      6.167527
  C      -9.522131     -1.478765      5.629589
  C     -10.362561     -0.401261      5.822182
  C      -9.929506      0.725317      6.557379
  C      -8.664486      0.755507      7.110626
  C      -7.783476     -0.340235      6.940426
  H      -3.930494      6.100098      6.207205
  H      -4.045408      5.571320      7.897633
  H      -4.668732      3.193970      7.061765
  H      -5.795300      5.216190      5.020900
  H      -6.190286     -0.069964      4.435954
  H     -10.164764      1.515541      2.786010
  H     -11.310876      3.741300      2.782360
  H     -10.209870      5.710213      3.842553
  H      -7.980908      5.483999      4.886171
  H       0.603889      0.845388      4.224219
  H      -0.661565      1.644604      3.278524
  H      -1.169715      0.004746      5.849761
  H      -2.929623     -1.068079      4.815830
  H      -2.611449      1.754696      0.236775
  H      -6.082757     -1.167304     -0.356813
  H      -7.097857     -3.015502      0.989842
  H      -6.134815     -3.596388      3.219668
  H      -4.198700     -2.370888      4.092646
  H      -3.097034     -0.420819      7.952531
  H      -3.802829      0.473517      6.612922
  H      -4.418361      1.768699      9.246013
  H      -6.681508      1.161542      8.955378
  H      -5.453383     -3.215064      6.135749
  H      -9.824602     -2.346670      5.042189
  H     -11.364349     -0.407503      5.389110
  H     -10.596226      1.580935      6.676069
  H      -8.328060      1.640344      7.651632
  N      -3.146003      2.737638      4.428621
  H      -4.025409      2.208405      4.624878
  H      -2.698435      2.282990      3.625342
  H      -3.442665      3.668914      4.123639
93
Coordinates from ORCA-job orca E -6201.299229810470
  N      -2.439970      4.721678      6.847620
  Mo     -1.941436      2.849737      6.301620
  N      -2.402434      1.551681      7.698678
  C      -1.561008      1.420991      8.883488
  C      -0.821385      2.730338      9.114221
  N      -0.364659      3.279203      7.808286
  C      -0.218232      4.760497      7.842238
  C      -1.587813      5.411499      7.810945
  C       0.885863      2.625205      7.336437
  C       0.984568      2.789916      5.822622
  N      -0.305996      2.476615      5.221362
  H      -1.467366      6.482177      7.553412
  H      -2.052571      5.394129      8.819599
  H       0.346605      5.046387      6.944972
  H       0.361201      5.072769      8.728881
  H       1.773775      2.121105      5.439198
  H       1.298462      3.819020      5.567211
  H       0.804008      1.557151      7.581926
  H       1.761334      3.042182      7.867958
  H      -2.165495      1.194148      9.781267
  H      -0.857402      0.570769      8.766370
  H      -1.514189      3.463532      9.548259
  H       0.033829      2.612660      9.802171
  C      -3.814447      5.192228      6.867057
  C      -4.728202      4.078596      6.448167
  C      -5.645869      4.191267      5.453847
  C      -6.435317      3.100566      4.918353
  N      -5.893299      1.863858      4.950571
  C      -6.573461      0.862825      4.350764
  N      -7.732705      0.930606      3.720831
  C      -8.338342      2.160534      3.715971
  C      -9.606032      2.299000      3.103679
  C     -10.254731      3.520416      3.105998
  C      -9.663021      4.642947      3.724516
  C      -8.420686      4.535971      4.324920
  C      -7.726307      3.303145      4.322964
  C      -0.367877      1.340063      4.288025
  C      -1.356407      0.327652      4.794672
  C      -2.380464     -0.324186      4.148607
  C      -2.904696     -0.155298      2.820025
  N      -2.408826      0.822947      2.020935
  C      -2.972402      0.998898      0.813592
  N      -3.995395      0.351096      0.275933
  C      -4.525673     -0.651720      1.049081
  C      -5.635469     -1.374822      0.550739
  C      -6.201357     -2.396597      1.289218
  C      -5.666694     -2.741543      2.546819
  C      -4.580256     -2.050760      3.054006
  C      -3.993743     -0.980711      2.336670
  C      -3.486821      0.574606      7.639303
  C      -4.633474      0.993771      8.515389
  C      -5.935114      0.654800      8.397559
  C      -6.485274     -0.345587      7.488845
  N      -5.686310     -1.343739      7.084243
  C      -6.244322     -2.316912      6.327822
  N      -7.500934     -2.427645      5.935812
  C      -8.327432     -1.396050      6.288869
  C      -9.670820     -1.407349      5.842490
  C     -10.507771     -0.349617      6.133672
  C     -10.036872      0.755098      6.878690
  C      -8.736544      0.782585      7.342795
  C      -7.857525     -0.294403      7.071393
  H      -3.954965      6.075564      6.213024
  H      -4.078125      5.524258      7.896165
  H      -4.658578      3.148548      7.025182
  H      -5.790922      5.176132      4.996274
  H      -6.085691     -0.115845      4.371042
  H     -10.047688      1.414063      2.642975
  H     -11.234213      3.618284      2.634216
  H     -10.191003      5.598002      3.732532
  H      -7.979232      5.403804      4.817871
  H       0.631613      0.865377      4.226090
  H      -0.624207      1.671849      3.272585
  H      -1.157367      0.006923      5.822574
  H      -2.909331     -1.054051      4.763053
  H      -2.528920      1.793637      0.202460
  H      -6.024896     -1.092001     -0.428605
  H      -7.065114     -2.938974      0.900653
  H      -6.121561     -3.541191      3.133274
  H      -4.184021     -2.334401      4.029028
  H      -3.116867     -0.431942      7.914846
  H      -3.837653      0.487761      6.599326
  H      -4.380409      1.743060      9.273017
  H      -6.653170      1.162531      9.045309
  H      -5.564409     -3.121156      6.025823
  H     -10.004195     -2.257551      5.246068
  H     -11.537210     -0.353654      5.771247
  H     -10.703107      1.596603      7.075222
  H      -8.373690      1.650638      7.893764
  N      -3.133391      2.733803      4.412360
  H      -4.012545      2.200582      4.599276
  H      -2.677976      2.284225      3.609278
  H      -3.438353      3.662911      4.109679
93
Coordinates from ORCA-job orca E -6201.295787306158
  N      -2.413606      4.696769      6.775473
  Mo     -1.919460      2.801193      6.317934
  N      -2.385848      1.569540      7.772618
  C      -1.552473      1.496656      8.968818
  C      -0.812678      2.813502      9.138731
  N      -0.345757      3.292858      7.809047
  C      -0.193088      4.773916      7.773973
  C      -1.562307      5.427193      7.709499
  C       0.902351      2.603704      7.375375
  C       1.010274      2.690826      5.854589
  N      -0.284048      2.376470      5.257567
  H      -1.437863      6.484478      7.403479
  H      -2.029656      5.458086      8.716572
  H       0.374650      5.017166      6.866185
  H       0.385128      5.125006      8.646498
  H       1.790635      1.994338      5.504673
  H       1.342061      3.702298      5.555902
  H       0.808771      1.549806      7.672181
  H       1.779175      3.036745      7.890967
  H      -2.161938      1.313157      9.872962
  H      -0.847178      0.642728      8.898123
  H      -1.507844      3.568301      9.529900
  H       0.037419      2.729397      9.837660
  C      -3.786647      5.172688      6.770530
  C      -4.699883      4.043410      6.395996
  C      -5.608049      4.107379      5.388174
  C      -6.371064      2.980615      4.886896
  N      -5.805519      1.756294      4.968175
  C      -6.453996      0.724164      4.385128
  N      -7.601652      0.749896      3.729949
  C      -8.229251      1.966590      3.673253
  C      -9.485154      2.061613      3.029410
  C     -10.154082      3.270857      2.975728
  C      -9.594526      4.424326      3.566549
  C      -8.364119      4.359981      4.196650
  C      -7.650384      3.139350      4.254409
  C      -0.377016      1.226893      4.341412
  C      -1.426170      0.274002      4.838941
  C      -2.501211     -0.281791      4.189408
  C      -3.028495     -0.023087      2.877383
  N      -2.469478      0.945572      2.108466
  C      -3.036441      1.217392      0.920362
  N      -4.115934      0.674213      0.376557
  C      -4.714926     -0.311503      1.121453
  C      -5.892281     -0.916331      0.621188
  C      -6.533054     -1.910884      1.335971
  C      -6.008504     -2.346537      2.569375
  C      -4.856393     -1.772491      3.077745
  C      -4.191461     -0.732979      2.385828
  C      -3.458292      0.577925      7.745654
  C      -4.627125      1.017540      8.581358
  C      -5.921190      0.660677      8.440483
  C      -6.430737     -0.375084      7.549292
  N      -5.605352     -1.372076      7.200413
  C      -6.123659     -2.370494      6.448230
  N      -7.363209     -2.505868      6.010816
  C      -8.213818     -1.475252      6.303980
  C      -9.536498     -1.510584      5.800854
  C     -10.392268     -0.451413      6.024445
  C      -9.960884      0.678662      6.755132
  C      -8.682079      0.729953      7.273930
  C      -7.785380     -0.348290      7.074467
  H      -3.923986      6.026833      6.077789
  H      -4.055020      5.549316      7.782726
  H      -4.635900      3.140800      7.009155
  H      -5.751743      5.067564      4.881316
  H      -5.951050     -0.245358      4.451373
  H      -9.901196      1.154036      2.589662
  H     -11.124315      3.335433      2.479988
  H     -10.137945      5.369910      3.529222
  H      -7.947790      5.251864      4.667268
  H       0.599639      0.705433      4.302331
  H      -0.602682      1.554043      3.316435
  H      -1.250906     -0.070610      5.862601
  H      -3.081665     -0.982708      4.790819
  H      -2.544001      2.004877      0.336600
  H      -6.273337     -0.563758     -0.338440
  H      -7.447715     -2.361483      0.946995
  H      -6.520364     -3.126129      3.135329
  H      -4.467122     -2.126911      4.032072
  H      -3.080851     -0.410451      8.071950
  H      -3.790395      0.437419      6.705054
  H      -4.399440      1.795872      9.317397
  H      -6.663200      1.183727      9.047621
  H      -5.421994     -3.169055      6.183932
  H      -9.837318     -2.379775      5.214733
  H     -11.404795     -0.473784      5.617885
  H     -10.640162      1.520602      6.897155
  H      -8.349104      1.617774      7.811942
  N      -3.104227      2.591421      4.429596
  H      -3.991926      2.087560      4.636295
  H      -2.644555      2.088195      3.655855
  H      -3.393872      3.505589      4.071814
93
Coordinates from ORCA-job orca E -6201.299444163834
  N      -2.439079      4.724174      6.845660
  Mo     -1.946548      2.846900      6.312087
  N      -2.400760      1.559825      7.722178
  C      -1.555724      1.441931      8.906904
  C      -0.815114      2.752576      9.121970
  N      -0.360584      3.286549      7.808897
  C      -0.212368      4.768163      7.830409
  C      -1.582785      5.419778      7.801131
  C       0.887132      2.624383      7.338332
  C       0.979110      2.770468      5.821422
  N      -0.317060      2.459910      5.226882
  H      -1.462645      6.488662      7.536290
  H      -2.042603      5.409793      8.812108
  H       0.348225      5.047746      6.928578
  H       0.371293      5.087406      8.711606
  H       1.762816      2.094001      5.440890
  H       1.297807      3.794964      5.554269
  H       0.803996      1.559093      7.595017
  H       1.765557      3.044198      7.862131
  H      -2.156975      1.223715      9.808893
  H      -0.851181      0.591583      8.796817
  H      -1.507181      3.490345      9.549379
  H       0.041073      2.641538      9.809713
  C      -3.814486      5.193417      6.874039
  C      -4.729969      4.078007      6.464661
  C      -5.654822      4.184888      5.475551
  C      -6.432389      3.083160      4.943573
  N      -5.870385      1.855095      4.964560
  C      -6.535349      0.848904      4.356229
  N      -7.695959      0.903580      3.726713
  C      -8.320182      2.123350      3.731657
  C      -9.589152      2.247266      3.119065
  C     -10.254777      3.459498      3.127454
  C      -9.678695      4.587177      3.751307
  C      -8.435384      4.494546      4.351858
  C      -7.724562      3.270877      4.345632
  C      -0.386327      1.323002      4.291487
  C      -1.385545      0.317639      4.789287
  C      -2.413192     -0.320405      4.137571
  C      -2.924819     -0.148442      2.804808
  N      -2.407720      0.815576      2.001643
  C      -2.960411      0.992192      0.788943
  N      -3.986809      0.352508      0.247212
  C      -4.539395     -0.634461      1.025441
  C      -5.658246     -1.343421      0.527462
  C      -6.249243     -2.344268      1.275595
  C      -5.732403     -2.680511      2.543024
  C      -4.637274     -2.003158      3.050009
  C      -4.024368     -0.957094      2.321476
  C      -3.478400      0.573298      7.672669
  C      -4.629709      0.993614      8.542181
  C      -5.930363      0.654726      8.416412
  C      -6.472920     -0.350822      7.510297
  N      -5.674310     -1.357611      7.128051
  C      -6.226050     -2.330447      6.366285
  N      -7.475163     -2.431374      5.947217
  C      -8.298796     -1.389111      6.274262
  C      -9.630348     -1.387469      5.793753
  C     -10.460474     -0.316343      6.053867
  C      -9.993881      0.789211      6.800364
  C      -8.705784      0.803794      7.298017
  C      -7.834711     -0.287647      7.060518
  H      -3.962099      6.074775      6.218578
  H      -4.073185      5.527699      7.903585
  H      -4.656420      3.150428      7.041081
  H      -5.806173      5.166133      5.013307
  H      -6.032701     -0.122282      4.369963
  H     -10.017867      1.358958      2.652840
  H     -11.235187      3.546150      2.655583
  H     -10.219582      5.534904      3.762979
  H      -8.005844      5.365946      4.848432
  H       0.609194      0.839557      4.238423
  H      -0.630984      1.653868      3.272430
  H      -1.197341     -0.005752      5.817876
  H      -2.956531     -1.041335      4.749743
  H      -2.502754      1.778779      0.177012
  H      -6.035342     -1.065726     -0.458038
  H      -7.120180     -2.875381      0.887793
  H      -6.207461     -3.463043      3.136347
  H      -4.255595     -2.276213      4.034204
  H      -3.101619     -0.427063      7.961126
  H      -3.826353      0.468768      6.632074
  H      -4.381839      1.747668      9.296768
  H      -6.653458      1.171160      9.051400
  H      -5.547144     -3.140823      6.079279
  H      -9.958923     -2.238310      5.195659
  H     -11.480177     -0.310256      5.664988
  H     -10.653194      1.641610      6.971323
  H      -8.345720      1.673283      7.848438
  N      -3.147316      2.708332      4.428362
  H      -4.030563      2.190896      4.623507
  H      -2.694758      2.239985      3.630747
  H      -3.444913      3.634557      4.109671
93
Coordinates from ORCA-job orca E -6201.299399435079
  N      -2.433882      4.721964      6.830583
  Mo     -1.933188      2.847903      6.291684
  N      -2.395865      1.549622      7.688976
  C      -1.556218      1.423338      8.875958
  C      -0.824360      2.736003      9.109750
  N      -0.361945      3.284396      7.805414
  C      -0.220261      4.766541      7.839059
  C      -1.591993      5.412533      7.801418
  C       0.894458      2.635154      7.341621
  C       0.995493      2.789209      5.826621
  N      -0.293372      2.462750      5.228279
  H      -1.474877      6.484731      7.548944
  H      -2.063117      5.389131      8.806987
  H       0.347290      5.053411      6.943736
  H       0.354677      5.081056      8.727698
  H       1.788497      2.121756      5.449076
  H       1.303951      3.817948      5.563461
  H       0.818965      1.568253      7.593770
  H       1.765301      3.061412      7.872879
  H      -2.161303      1.191389      9.771951
  H      -0.846146      0.578371      8.759847
  H      -1.523477      3.466545      9.538058
  H       0.027163      2.623143      9.802966
  C      -3.815719      5.172019      6.854875
  C      -4.716261      4.052559      6.423427
  C      -5.645175      4.172441      5.438777
  C      -6.440157      3.084629      4.904890
  N      -5.902987      1.845275      4.928786
  C      -6.590720      0.849876      4.328528
  N      -7.753271      0.925015      3.704952
  C      -8.355254      2.156065      3.711736
  C      -9.627762      2.301358      3.111039
  C     -10.273376      3.524241      3.126035
  C      -9.673218      4.641784      3.745488
  C      -8.425889      4.528221      4.334235
  C      -7.735087      3.293407      4.320137
  C      -0.346010      1.326519      4.293343
  C      -1.322826      0.305507      4.803752
  C      -2.357488     -0.337728      4.169039
  C      -2.908543     -0.144339      2.855258
  N      -2.430389      0.850682      2.066485
  C      -3.020286      1.050434      0.875322
  N      -4.051615      0.409578      0.344956
  C      -4.564749     -0.609293      1.108805
  C      -5.683041     -1.324837      0.618681
  C      -6.233405     -2.360722      1.349254
  C      -5.674384     -2.727030      2.590148
  C      -4.579412     -2.043769      3.089244
  C      -4.007691     -0.960780      2.379679
  C      -3.477709      0.568638      7.631979
  C      -4.630127      0.994519      8.496889
  C      -5.931834      0.659367      8.371131
  C      -6.478394     -0.350311      7.471489
  N      -5.681876     -1.359860      7.091342
  C      -6.239141     -2.341364      6.344906
  N      -7.492770     -2.450032      5.942310
  C      -8.315531     -1.407163      6.269450
  C      -9.653864     -1.416405      5.807908
  C     -10.485470     -0.346922      6.069457
  C     -10.013833      0.767875      6.798833
  C      -8.719077      0.793328      7.278225
  C      -7.845771     -0.295783      7.038168
  H      -3.968307      6.060693      6.210762
  H      -4.084605      5.489223      7.887418
  H      -4.639999      3.115474      6.987134
  H      -5.797800      5.162284      4.995373
  H      -6.107125     -0.130924      4.341944
  H     -10.075880      1.419992      2.649810
  H     -11.256785      3.627188      2.663644
  H     -10.198269      5.598319      3.762984
  H      -7.977705      5.392574      4.826990
  H       0.657242      0.860000      4.234078
  H      -0.604289      1.655774      3.277292
  H      -1.107513     -0.023065      5.825667
  H      -2.873771     -1.076765      4.782736
  H      -2.591733      1.858602      0.271008
  H      -6.091927     -1.024270     -0.347324
  H      -7.103746     -2.897363      0.967660
  H      -6.116578     -3.538780      3.169566
  H      -4.165881     -2.343455      4.052054
  H      -3.106526     -0.433367      7.922025
  H      -3.821076      0.467062      6.590608
  H      -4.380753      1.748156      9.251508
  H      -6.652944      1.178143      9.006611
  H      -5.562003     -3.155182      6.063153
  H      -9.986629     -2.274451      5.222534
  H     -11.510502     -0.349160      5.694770
  H     -10.674801      1.618900      6.970519
  H      -8.356002      1.669527      7.815950
  N      -3.113277      2.705750      4.395539
  H      -3.995315      2.175446      4.576993
  H      -2.648520      2.248325      3.601684
  H      -3.421058      3.629500      4.078806
93
Coordinates from ORCA-job orca E -6201.299622869949
  N      -2.437186      4.727787      6.837703
  Mo     -1.943206      2.851295      6.302169
  N      -2.397563      1.558813      7.707205
  C      -1.551076      1.436791      8.890002
  C      -0.816511      2.749220      9.113906
  N      -0.360961      3.291721      7.804926
  C      -0.217751      4.773621      7.832765
  C      -1.589801      5.420274      7.801968
  C       0.891073      2.638055      7.335397
  C       0.981854      2.784451      5.818856
  N      -0.311480      2.457590      5.229015
  H      -1.473360      6.491826      7.546407
  H      -2.054443      5.399765      8.810552
  H       0.344504      5.057895      6.933295
  H       0.362620      5.091300      8.716720
  H       1.772071      2.115585      5.438363
  H       1.288924      3.812064      5.549891
  H       0.815201      1.572227      7.592077
  H       1.766238      3.064275      7.859286
  H      -2.150824      1.209322      9.790680
  H      -0.842232      0.590881      8.773374
  H      -1.512097      3.482183      9.543795
  H       0.038647      2.637337      9.802822
  C      -3.820186      5.172477      6.874494
  C      -4.718110      4.049309      6.447708
  C      -5.653908      4.164553      5.468596
  C      -6.435489      3.068201      4.932178
  N      -5.879011      1.836924      4.943526
  C      -6.551297      0.837165      4.332927
  N      -7.714946      0.900494      3.709559
  C      -8.335999      2.121760      3.728984
  C      -9.610524      2.253210      3.129454
  C     -10.274884      3.465848      3.156064
  C      -9.691844      4.586596      3.785886
  C      -8.442884      4.486641      4.373582
  C      -7.733264      3.262600      4.348289
  C      -0.372151      1.318688      4.296525
  C      -1.360603      0.306430      4.801727
  C      -2.388652     -0.337375      4.157554
  C      -2.911207     -0.160428      2.829275
  N      -2.402203      0.812287      2.032010
  C      -2.966318      1.001280      0.826528
  N      -3.998473      0.368301      0.288554
  C      -4.542600     -0.628287      1.060237
  C      -5.665680     -1.331403      0.563484
  C      -6.247312     -2.344158      1.302401
  C      -5.715509     -2.699486      2.558253
  C      -4.616443     -2.027988      3.064456
  C      -4.013724     -0.967612      2.346735
  C      -3.477844      0.575970      7.659151
  C      -4.628685      1.000937      8.526354
  C      -5.930552      0.669131      8.395949
  C      -6.474563     -0.334269      7.488270
  N      -5.679297     -1.345639      7.110891
  C      -6.234236     -2.319997      6.353336
  N      -7.484211     -2.419485      5.936697
  C      -8.304242     -1.372997      6.258994
  C      -9.636228     -1.369854      5.779454
  C     -10.462244     -0.294002      6.032648
  C      -9.991084      0.814846      6.771360
  C      -8.703062      0.827670      7.269066
  C      -7.835983     -0.268360      7.038314
  H      -3.982395      6.061452      6.233019
  H      -4.083995      5.486541      7.909274
  H      -4.634892      3.112916      7.009865
  H      -5.816250      5.152936      5.025880
  H      -6.052590     -0.136365      4.337496
  H     -10.045098      1.369596      2.659709
  H     -11.259850      3.557922      2.694752
  H     -10.231555      5.534724      3.812173
  H      -8.007770      5.352923      4.874388
  H       0.627164      0.843354      4.242247
  H      -0.622731      1.646704      3.278128
  H      -1.165028     -0.011139      5.830905
  H      -2.923004     -1.062618      4.772194
  H      -2.514425      1.793576      0.217923
  H      -6.053336     -1.039694     -0.413856
  H      -7.121358     -2.870994      0.915762
  H      -6.181897     -3.493584      3.143046
  H      -4.223926     -2.319167      4.038383
  H      -3.103651     -0.424600      7.950407
  H      -3.824284      0.470420      6.619429
  H      -4.378648      1.751724      9.283555
  H      -6.652855      1.187554      9.030428
  H      -5.558329     -3.134797      6.071608
  H      -9.967854     -2.223137      5.186541
  H     -11.481918     -0.286374      5.643729
  H     -10.646601      1.671531      6.935521
  H      -8.339834      1.699905      7.813137
  N      -3.134825      2.695540      4.414360
  H      -4.014249      2.166305      4.603738
  H      -2.672897      2.233804      3.619503
  H      -3.446705      3.616494      4.093305
93
Coordinates from ORCA-job orca E -6201.299640284728
  N      -2.436241      4.729273      6.836317
  Mo     -1.945417      2.850533      6.305275
  N      -2.398648      1.561506      7.713931
  C      -1.551228      1.443114      8.896842
  C      -0.816021      2.755618      9.116476
  N      -0.360351      3.293622      7.805767
  C      -0.215678      4.775441      7.829583
  C      -1.587597      5.423252      7.798577
  C       0.890630      2.637003      7.337204
  C       0.979318      2.777820      5.819736
  N      -0.315375      2.450179      5.232630
  H      -1.470298      6.494182      7.540712
  H      -2.051073      5.405539      8.807691
  H       0.346023      5.057150      6.928956
  H       0.365819      5.095436      8.711976
  H       1.768772      2.107883      5.439732
  H       1.286165      3.804643      5.547556
  H       0.814172      1.571949      7.596994
  H       1.766738      3.063816      7.858866
  H      -2.150093      1.218354      9.798747
  H      -0.842167      0.597061      8.782357
  H      -1.511093      3.490154      9.544495
  H       0.038980      2.644890      9.805841
  C      -3.820397      5.171026      6.877440
  C      -4.717432      4.047182      6.450445
  C      -5.657325      4.160966      5.474806
  C      -6.433871      3.060446      4.939288
  N      -5.874064      1.830710      4.955917
  C      -6.540167      0.828187      4.343002
  N      -7.700118      0.887379      3.712188
  C      -8.325655      2.106232      3.728022
  C      -9.597905      2.232632      3.122682
  C     -10.267138      3.442665      3.146319
  C      -9.691413      4.565658      3.778834
  C      -8.444557      4.470767      4.371799
  C      -7.729893      3.249496      4.349550
  C      -0.377859      1.314573      4.295768
  C      -1.365089      0.298047      4.794504
  C      -2.391702     -0.342648      4.145719
  C      -2.913528     -0.157039      2.817842
  N      -2.405254      0.820994      2.026679
  C      -2.971289      1.019759      0.823499
  N      -4.004427      0.390870      0.282595
  C      -4.547866     -0.610772      1.048157
  C      -5.673842     -1.308076      0.550024
  C      -6.255396     -2.324544      1.284199
  C      -5.720193     -2.689729      2.535769
  C      -4.618105     -2.024047      3.043203
  C      -4.016211     -0.959981      2.330963
  C      -3.478367      0.577548      7.670642
  C      -4.628567      1.004373      8.537820
  C      -5.930884      0.674212      8.407002
  C      -6.475210     -0.332660      7.503596
  N      -5.683878     -1.351738      7.138972
  C      -6.241488     -2.330008      6.388333
  N      -7.490487     -2.426599      5.967644
  C      -8.305574     -1.371891      6.275301
  C      -9.635097     -1.364765      5.789114
  C     -10.454788     -0.280465      6.026571
  C      -9.979658      0.832678      6.756156
  C      -8.694284      0.841543      7.260825
  C      -7.833800     -0.262798      7.046112
  H      -3.986965      6.061227      6.238638
  H      -4.083256      5.481887      7.913433
  H      -4.631586      3.109987      7.009291
  H      -5.823904      5.148155      5.031358
  H      -6.039413     -0.144163      4.353363
  H     -10.027039      1.347240      2.651336
  H     -11.250543      3.530711      2.680942
  H     -10.235159      5.511535      3.802776
  H      -8.014925      5.338637      4.874465
  H       0.621579      0.839880      4.237528
  H      -0.629084      1.646222      3.278755
  H      -1.171412     -0.023465      5.822654
  H      -2.926157     -1.072402      4.755169
  H      -2.520264      1.817092      0.220632
  H      -6.064158     -1.008656     -0.423880
  H      -7.132116     -2.846598      0.897193
  H      -6.186586     -3.486719      3.116574
  H      -4.223006     -2.322301      4.014118
  H      -3.102938     -0.421595      7.965452
  H      -3.825251      0.466464      6.631377
  H      -4.377525      1.755860      9.293961
  H      -6.652975      1.196467      9.038614
  H      -5.569245     -3.151074      6.116222
  H      -9.969442     -2.221875      5.203307
  H     -11.472254     -0.269632      5.632032
  H     -10.629612      1.695925      6.907480
  H      -8.327828      1.717220      7.797231
  N      -3.138107      2.683938      4.418374
  H      -4.019251      2.158612      4.608065
  H      -2.674569      2.217243      3.626686
  H      -3.447965      3.603289      4.090481
93
Coordinates from ORCA-job orca E -6201.299625494291
  N      -2.447103      4.724730      6.842499
  Mo     -1.945638      2.849382      6.308124
  N      -2.387370      1.554230      7.714953
  C      -1.536294      1.440966      8.896289
  C      -0.810437      2.758215      9.116514
  N      -0.358806      3.299795      7.805712
  C      -0.223065      4.782582      7.830217
  C      -1.599448      5.422293      7.804140
  C       0.895959      2.651735      7.335615
  C       0.978244      2.787726      5.816296
  N      -0.317152      2.450138      5.237528
  H      -1.489632      6.494268      7.547230
  H      -2.059609      5.400584      8.814544
  H       0.334645      5.068236      6.928308
  H       0.359614      5.105731      8.710769
  H       1.769952      2.121296      5.434919
  H       1.278292      3.815561      5.540094
  H       0.829038      1.586464      7.597262
  H       1.770341      3.086116      7.853596
  H      -2.130504      1.209173      9.799407
  H      -0.819036      0.602111      8.778772
  H      -1.510621      3.487196      9.545641
  H       0.045026      2.652477      9.806251
  C      -3.835154      5.157226      6.894357
  C      -4.731370      4.039181      6.451638
  C      -5.678725      4.161184      5.485039
  C      -6.444544      3.056800      4.938839
  N      -5.872514      1.833447      4.942858
  C      -6.525967      0.832131      4.313414
  N      -7.682981      0.888912      3.677093
  C      -8.323674      2.098943      3.710994
  C      -9.597416      2.219092      3.107403
  C     -10.281939      3.419828      3.152014
  C      -9.720906      4.539197      3.804122
  C      -8.472547      4.450945      4.394729
  C      -7.742154      3.239202      4.350952
  C      -0.377294      1.316238      4.298100
  C      -1.350125      0.286465      4.798614
  C      -2.374705     -0.360785      4.154221
  C      -2.905139     -0.177745      2.828529
  N      -2.396052      0.790191      2.025033
  C      -2.969669      0.984773      0.824686
  N      -4.009684      0.356844      0.295519
  C      -4.557519     -0.630871      1.076056
  C      -5.696902     -1.319102      0.596660
  C      -6.287416     -2.316077      1.351004
  C      -5.747663     -2.670489      2.603670
  C      -4.630822     -2.014837      3.092080
  C      -4.019348     -0.971822      2.358590
  C      -3.459280      0.561793      7.672834
  C      -4.611644      0.977038      8.542641
  C      -5.915515      0.657472      8.396971
  C      -6.460524     -0.328318      7.471898
  N      -5.671789     -1.342609      7.087685
  C      -6.232548     -2.303646      6.317363
  N      -7.481423     -2.387113      5.892429
  C      -8.292373     -1.334092      6.217016
  C      -9.620136     -1.309992      5.726876
  C     -10.434656     -0.225739      5.982836
  C      -9.955963      0.869370      6.736506
  C      -8.672147      0.860845      7.245537
  C      -7.817043     -0.243270      7.011513
  H      -4.010933      6.058546      6.273583
  H      -4.096634      5.446776      7.936895
  H      -4.636991      3.089172      6.985503
  H      -5.855837      5.150586      5.051410
  H      -6.018157     -0.136324      4.317009
  H     -10.015358      1.336054      2.621893
  H     -11.266941      3.502898      2.689140
  H     -10.277489      5.477012      3.844473
  H      -8.053676      5.315273      4.912127
  H       0.626081      0.850569      4.230907
  H      -0.638542      1.646487      3.283482
  H      -1.149903     -0.030122      5.826769
  H      -2.902622     -1.094299      4.765530
  H      -2.516632      1.773943      0.212050
  H      -6.091616     -1.026839     -0.377585
  H      -7.175466     -2.830107      0.979436
  H      -6.222425     -3.450274      3.200839
  H      -4.233737     -2.303100      4.065711
  H      -3.075726     -0.434867      7.966916
  H      -3.804674      0.442798      6.633259
  H      -4.359000      1.710783      9.315432
  H      -6.637967      1.172587      9.034125
  H      -5.563314     -3.121627      6.028757
  H      -9.956845     -2.153703      5.123233
  H     -11.450398     -0.200599      5.584628
  H     -10.601069      1.733449      6.903018
  H      -8.303156      1.724531      7.799663
  N      -3.145123      2.675174      4.424942
  H      -4.028664      2.150006      4.600673
  H      -2.671416      2.216089      3.634259
  H      -3.453295      3.595220      4.096115
93
Coordinates from ORCA-job orca E -6201.299720049108
  N      -2.443688      4.725442      6.836280
  Mo     -1.942345      2.849538      6.303727
  N      -2.389750      1.554245      7.708391
  C      -1.542141      1.439503      8.891522
  C      -0.816219      2.756597      9.114896
  N      -0.360601      3.298714      7.805960
  C      -0.223835      4.781309      7.830621
  C      -1.598987      5.422197      7.800215
  C       0.894779      2.649789      7.339706
  C       0.982460      2.787135      5.821574
  N      -0.310671      2.449683      5.238671
  H      -1.487462      6.494205      7.544286
  H      -2.062632      5.400078      8.809109
  H       0.336633      5.065947      6.930079
  H       0.356386      5.104001      8.712944
  H       1.775039      2.120040      5.442984
  H       1.283795      3.814841      5.546272
  H       0.825759      1.584652      7.601143
  H       1.767783      3.083643      7.860622
  H      -2.139438      1.207727      9.792622
  H      -0.825944      0.599643      8.775235
  H      -1.517006      3.486126      9.542139
  H       0.037453      2.650146      9.806677
  C      -3.831597      5.155989      6.882807
  C      -4.724345      4.035744      6.438708
  C      -5.670736      4.159488      5.471247
  C      -6.446700      3.061205      4.928329
  N      -5.883563      1.833415      4.929087
  C      -6.551173      0.835001      4.310629
  N      -7.714427      0.898148      3.686648
  C      -8.344430      2.114145      3.721025
  C      -9.622259      2.242634      3.127883
  C     -10.296638      3.449097      3.173515
  C      -9.720767      4.566251      3.816339
  C      -8.468253      4.469694      4.396857
  C      -7.748131      3.252073      4.351683
  C      -0.366468      1.316352      4.299777
  C      -1.344086      0.291002      4.799718
  C      -2.368361     -0.355723      4.154004
  C      -2.893751     -0.175117      2.826257
  N      -2.379811      0.791813      2.025194
  C      -2.946271      0.983609      0.821177
  N      -3.984653      0.357053      0.287605
  C      -4.535216     -0.632156      1.064056
  C      -5.668162     -1.324482      0.575030
  C      -6.258088     -2.327361      1.321275
  C      -5.724503     -2.683617      2.576016
  C      -4.615120     -2.023093      3.074536
  C      -4.004010     -0.973122      2.349384
  C      -3.465136      0.565640      7.664932
  C      -4.617440      0.990118      8.530135
  C      -5.921405      0.669284      8.389933
  C      -6.468867     -0.326270      7.476378
  N      -5.680302     -1.343406      7.099321
  C      -6.242444     -2.313176      6.341291
  N      -7.493133     -2.403681      5.923913
  C      -8.305028     -1.349803      6.243150
  C      -9.635997     -1.334991      5.761227
  C     -10.452730     -0.251258      6.011808
  C      -9.973016      0.853324      6.751042
  C      -8.685750      0.854643      7.251294
  C      -7.828274     -0.249091      7.022889
  H      -4.004773      6.055893      6.259494
  H      -4.096577      5.447505      7.924019
  H      -4.631364      3.086318      6.976473
  H      -5.846063      5.151065      5.041442
  H      -6.048808     -0.136424      4.308811
  H     -10.051580      1.361295      2.649181
  H     -11.284637      3.538648      2.718236
  H     -10.269116      5.508870      3.857887
  H      -8.038154      5.332693      4.907460
  H       0.636428      0.849119      4.238167
  H      -0.622599      1.647320      3.283823
  H      -1.147639     -0.024517      5.829250
  H      -2.898531     -1.086772      4.765575
  H      -2.490341      1.771806      0.210183
  H      -6.057353     -1.031707     -0.401337
  H      -7.140659     -2.844972      0.941683
  H      -6.198423     -3.468796      3.166749
  H      -4.222925     -2.313860      4.048924
  H      -3.086001     -0.431214      7.963835
  H      -3.808348      0.446785      6.625211
  H      -4.364616      1.731452      9.295633
  H      -6.642491      1.189325      9.024600
  H      -5.573054     -3.133453      6.059759
  H      -9.973852     -2.185843      5.168324
  H     -11.471353     -0.234132      5.620519
  H     -10.620485      1.716450      6.913405
  H      -8.316330      1.724457      7.795294
  N      -3.136548      2.673660      4.418338
  H      -4.023223      2.153384      4.598705
  H      -2.667421      2.205525      3.631409
  H      -3.439893      3.593258      4.084364
93
Coordinates from ORCA-job orca E -6201.299734706517
  N      -2.445158      4.722203      6.834672
  Mo     -1.940652      2.846578      6.303707
  N      -2.387582      1.551301      7.708324
  C      -1.541360      1.439433      8.892666
  C      -0.817387      2.757779      9.115050
  N      -0.360774      3.298446      7.805879
  C      -0.225226      4.781063      7.828458
  C      -1.600696      5.420975      7.797230
  C       0.895593      2.650155      7.341551
  C       0.984412      2.785681      5.823290
  N      -0.308278      2.446918      5.240261
  H      -1.489721      6.492578      7.539421
  H      -2.064242      5.400386      8.806235
  H       0.334924      5.064786      6.927422
  H       0.354808      5.105484      8.710272
  H       1.777205      2.117925      5.446350
  H       1.286088      3.812975      5.546701
  H       0.827517      1.585329      7.604344
  H       1.767676      3.085723      7.862575
  H      -2.139323      1.208060      9.793429
  H      -0.823932      0.600344      8.778414
  H      -1.519852      3.487022      9.540021
  H       0.035401      2.653667      9.808263
  C      -3.832293      5.154731      6.879977
  C      -4.727405      4.038140      6.432477
  C      -5.673408      4.166416      5.465817
  C      -6.452454      3.071023      4.920885
  N      -5.889691      1.843340      4.912707
  C      -6.561119      0.847801      4.293543
  N      -7.727780      0.914343      3.676373
  C      -8.356145      2.130969      3.717826
  C      -9.636214      2.263218      3.130384
  C     -10.308695      3.470433      3.183012
  C      -9.728555      4.584603      3.827224
  C      -8.473854      4.484384      4.402266
  C      -7.755729      3.265837      4.350121
  C      -0.362104      1.315501      4.299246
  C      -1.333153      0.284447      4.800332
  C      -2.356908     -0.364552      4.156437
  C      -2.888680     -0.180467      2.831948
  N      -2.381039      0.791618      2.033194
  C      -2.952830      0.986487      0.832228
  N      -3.990667      0.358169      0.299587
  C      -4.535251     -0.636004      1.073950
  C      -5.667140     -1.330628      0.585697
  C      -6.251459     -2.338185      1.329991
  C      -5.713453     -2.696587      2.582191
  C      -4.605159     -2.033669      3.080006
  C      -3.999201     -0.979436      2.356598
  C      -3.462038      0.561591      7.665348
  C      -4.616671      0.989549      8.525593
  C      -5.920659      0.670115      8.382576
  C      -6.467128     -0.327951      7.471360
  N      -5.677715     -1.345658      7.097382
  C      -6.238967     -2.317902      6.342023
  N      -7.489443     -2.410546      5.924485
  C      -8.302331     -1.356490      6.240708
  C      -9.633285     -1.344335      5.758738
  C     -10.451226     -0.260837      6.006467
  C      -9.972645      0.846337      6.742496
  C      -8.685226      0.850514      7.242465
  C      -7.826567     -0.253014      7.017160
  H      -4.002894      6.056605      6.258788
  H      -4.098008      5.444071      7.921676
  H      -4.635224      3.085977      6.965559
  H      -5.847888      5.159430      5.038982
  H      -6.059916     -0.124243      4.285856
  H     -10.068610      1.384182      2.650225
  H     -11.298330      3.563039      2.731937
  H     -10.275441      5.527810      3.874239
  H      -8.040503      5.345048      4.914025
  H       0.642665      0.853062      4.233106
  H      -0.622960      1.647022      3.284456
  H      -1.130787     -0.033876      5.827833
  H      -2.881162     -1.100435      4.767125
  H      -2.501932      1.778802      0.222849
  H      -6.059971     -1.035937     -0.388637
  H      -7.133117     -2.857724      0.950918
  H      -6.183237     -3.485140      3.171732
  H      -4.209636     -2.325941      4.052487
  H      -3.082958     -0.433656      7.969794
  H      -3.801670      0.437817      6.625170
  H      -4.365203      1.732619      9.289833
  H      -6.642707      1.192765      9.013961
  H      -5.568874     -3.138393      6.062862
  H      -9.970310     -2.197208      5.168271
  H     -11.469946     -0.245997      5.615325
  H     -10.621152      1.709058      6.902843
  H      -8.316823      1.722130      7.784182
  N      -3.137092      2.668941      4.419704
  H      -4.026875      2.153766      4.599315
  H      -2.668988      2.196519      3.634834
  H      -3.434003      3.589481      4.082591
93
Coordinates from ORCA-job orca E -6201.299725269966
  N      -2.462377      4.696583      6.824365
  Mo     -1.932639      2.823898      6.306816
  N      -2.371915      1.530214      7.714288
  C      -1.531699      1.436908      8.904168
  C      -0.823661      2.765015      9.119699
  N      -0.364842      3.299062      7.808671
  C      -0.242572      4.782684      7.818261
  C      -1.623075      5.411396      7.779732
  C       0.899203      2.658038      7.356031
  C       0.994477      2.781676      5.836869
  N      -0.294315      2.432959      5.251725
  H      -1.519717      6.480856      7.510181
  H      -2.087205      5.398616      8.788684
  H       0.315999      5.062788      6.915066
  H       0.333945      5.119991      8.697595
  H       1.790840      2.112806      5.469624
  H       1.295147      3.807497      5.553157
  H       0.839638      1.595008      7.627551
  H       1.764736      3.106141      7.877298
  H      -2.131925      1.206390      9.803654
  H      -0.804623      0.604674      8.800976
  H      -1.537677      3.489777      9.532886
  H       0.025293      2.677295      9.819825
  C      -3.848760      5.131990      6.860209
  C      -4.749532      4.024473      6.404317
  C      -5.694495      4.159405      5.439933
  C      -6.483722      3.067688      4.897975
  N      -5.926499      1.838651      4.879775
  C      -6.611972      0.845549      4.270934
  N      -7.787610      0.918578      3.672144
  C      -8.407680      2.139109      3.719804
  C      -9.694180      2.278857      3.148346
  C     -10.357790      3.490558      3.208144
  C      -9.762129      4.601723      3.843576
  C      -8.501209      4.494272      4.403074
  C      -7.792080      3.270623      4.343576
  C      -0.336279      1.311089      4.300094
  C      -1.291203      0.261656      4.793977
  C      -2.309071     -0.390104      4.144961
  C      -2.844680     -0.194382      2.824120
  N      -2.334829      0.782425      2.032596
  C      -2.904759      0.985596      0.832233
  N      -3.940001      0.359186      0.292102
  C      -4.489033     -0.637495      1.060241
  C      -5.619414     -1.328972      0.564172
  C      -6.210844     -2.336023      1.303495
  C      -5.682823     -2.695850      2.559366
  C      -4.575789     -2.036266      3.064598
  C      -3.960326     -0.984838      2.344975
  C      -3.444389      0.538176      7.679010
  C      -4.600630      0.980354      8.529622
  C      -5.908134      0.678426      8.379748
  C      -6.465418     -0.310559      7.466141
  N      -5.681541     -1.326709      7.075365
  C      -6.252665     -2.291708      6.318704
  N      -7.507887     -2.379769      5.914440
  C      -8.316407     -1.327810      6.249029
  C      -9.653609     -1.311968      5.785081
  C     -10.469291     -0.231847      6.054768
  C      -9.981678      0.868634      6.794531
  C      -8.686973      0.869734      7.275869
  C      -7.830367     -0.230732      7.028232
  H      -4.012397      6.038061      6.243159
  H      -4.119511      5.416700      7.902138
  H      -4.655515      3.064576      6.922210
  H      -5.868901      5.153478      5.015523
  H      -6.117838     -0.130284      4.259038
  H     -10.138040      1.402162      2.674449
  H     -11.352131      3.589591      2.769003
  H     -10.302302      5.548499      3.896050
  H      -8.055818      5.352788      4.907945
  H       0.674499      0.863715      4.223795
  H      -0.606130      1.647273      3.288680
  H      -1.082241     -0.064740      5.817588
  H      -2.825334     -1.137989      4.747376
  H      -2.452028      1.781395      0.228695
  H      -6.005610     -1.031896     -0.412096
  H      -7.091117     -2.853225      0.918061
  H      -6.159934     -3.481807      3.146455
  H      -4.188853     -2.328353      4.040231
  H      -3.065633     -0.451966      8.000653
  H      -3.777157      0.396962      6.639312
  H      -4.344046      1.719691      9.295711
  H      -6.625482      1.208564      9.010199
  H      -5.587024     -3.110897      6.025560
  H      -9.998222     -2.159828      5.191763
  H     -11.493436     -0.214522      5.678129
  H     -10.629038      1.728581      6.973324
  H      -8.312297      1.736329      7.821151
  N      -3.134210      2.629107      4.427362
  H      -4.034680      2.130082      4.600896
  H      -2.664704      2.142430      3.652590
  H      -3.408606      3.551243      4.075838
93
Coordinates from ORCA-job orca E -6201.299765290250
  N      -2.458594      4.703023      6.829470
  Mo     -1.930799      2.831281      6.305923
  N      -2.371548      1.532748      7.708071
  C      -1.532242      1.436118      8.898667
  C      -0.822583      2.762793      9.118421
  N      -0.362339      3.300403      7.809450
  C      -0.238643      4.783814      7.823330
  C      -1.618572      5.414250      7.786683
  C       0.900598      2.658894      7.354480
  C       0.995602      2.785227      5.835490
  N      -0.293641      2.438444      5.249803
  H      -1.513724      6.484458      7.520450
  H      -2.082340      5.399180      8.795793
  H       0.320356      5.066084      6.921080
  H       0.338006      5.118629      8.703602
  H       1.791404      2.116334      5.467022
  H       1.296988      3.811277      5.553346
  H       0.839435      1.595217      7.623205
  H       1.767093      3.104135      7.876611
  H      -2.133274      1.204099      9.797228
  H      -0.805971      0.603415      8.793944
  H      -1.535625      3.487239      9.533822
  H       0.025779      2.671293      9.818895
  C      -3.845348      5.136925      6.868902
  C      -4.746077      4.032229      6.405740
  C      -5.693545      4.173536      5.445014
  C      -6.481542      3.084012      4.896499
  N      -5.922766      1.855862      4.871092
  C      -6.606388      0.865511      4.255853
  N      -7.781649      0.940781      3.656594
  C      -8.404189      2.159642      3.713217
  C      -9.691342      2.300595      3.143543
  C     -10.357735      3.510285      3.212661
  C      -9.764331      4.618107      3.856025
  C      -8.502782      4.509512      4.413834
  C      -7.790772      3.288036      4.344737
  C      -0.335935      1.316593      4.298216
  C      -1.289722      0.267125      4.794555
  C      -2.309834     -0.386227      4.150438
  C      -2.846310     -0.199721      2.827960
  N      -2.328456      0.761823      2.023086
  C      -2.899691      0.956535      0.821806
  N      -3.943947      0.335651      0.293011
  C      -4.500866     -0.645923      1.074667
  C      -5.640968     -1.330315      0.591263
  C      -6.240362     -2.322174      1.344663
  C      -5.710833     -2.673632      2.602307
  C      -4.594323     -2.020823      3.095360
  C      -3.970475     -0.984729      2.361032
  C      -3.442185      0.538282      7.668316
  C      -4.602898      0.978787      8.513433
  C      -5.909132      0.672501      8.359877
  C      -6.460500     -0.326108      7.453117
  N      -5.675046     -1.347943      7.080184
  C      -6.243149     -2.323614      6.335061
  N      -7.497119     -2.418159      5.928156
  C      -8.306899     -1.361437      6.244177
  C      -9.642711     -1.352960      5.776054
  C     -10.459125     -0.268604      6.025881
  C      -9.973719      0.843382      6.749662
  C      -8.680751      0.851678      7.235646
  C      -7.823553     -0.252704      7.008411
  H      -4.010051      6.047533      6.258758
  H      -4.116731      5.413754      7.912877
  H      -4.650105      3.068286      6.916246
  H      -5.869804      5.170065      5.027217
  H      -6.109608     -0.108870      4.236455
  H     -10.133661      1.426365      2.663703
  H     -11.352668      3.610110      2.775028
  H     -10.306763      5.563169      3.915696
  H      -8.058844      5.365289      4.924633
  H       0.674961      0.869488      4.220580
  H      -0.607135      1.651932      3.287165
  H      -1.082799     -0.052881      5.820645
  H      -2.828465     -1.127509      4.759284
  H      -2.440732      1.740652      0.207843
  H      -6.028275     -1.040009     -0.386593
  H      -7.128190     -2.833712      0.969120
  H      -6.193965     -3.447726      3.200133
  H      -4.206486     -2.305696      4.072973
  H      -3.062449     -0.450603      7.992720
  H      -3.769593      0.395070      6.627098
  H      -4.351543      1.721650      9.277846
  H      -6.630119      1.205087      8.984098
  H      -5.576652     -3.147269      6.056702
  H      -9.985418     -2.209923      5.194834
  H     -11.481973     -0.257134      5.645515
  H     -10.621215      1.706470      6.912138
  H      -8.307873      1.726767      7.768531
  N      -3.133812      2.641423      4.426565
  H      -4.036088      2.144485      4.597432
  H      -2.664784      2.156032      3.650747
  H      -3.405952      3.564744      4.076358
93
Coordinates from ORCA-job orca E -6201.299773220398
  N      -2.458300      4.706319      6.836433
  Mo     -1.935398      2.834733      6.308106
  N      -2.374076      1.535102      7.709856
  C      -1.530784      1.433785      8.897535
  C      -0.818340      2.758854      9.118370
  N      -0.362243      3.299721      7.809181
  C      -0.237059      4.783120      7.827354
  C      -1.616764      5.414539      7.794551
  C       0.898783      2.657726      7.348378
  C       0.989677      2.787457      5.829707
  N      -0.300968      2.442012      5.245272
  H      -1.511613      6.485522      7.531435
  H      -2.079053      5.396836      8.804284
  H       0.320599      5.067834      6.925036
  H       0.341198      5.114735      8.707742
  H       1.785128      2.120205      5.457425
  H       1.289442      3.814411      5.549361
  H       0.836938      1.593495      7.614923
  H       1.767406      3.100527      7.869060
  H      -2.129491      1.200713      9.797362
  H      -0.806587      0.599888      8.788376
  H      -1.528951      3.483025      9.538435
  H       0.032642      2.664367      9.815251
  C      -3.845452      5.138609      6.879065
  C      -4.743164      4.029174      6.420644
  C      -5.691214      4.165576      5.459039
  C      -6.470581      3.071276      4.909318
  N      -5.903856      1.846274      4.888174
  C      -6.577807      0.851428      4.270096
  N      -7.750248      0.918562      3.664070
  C      -8.381335      2.133138      3.717380
  C      -9.666753      2.264954      3.141602
  C     -10.341842      3.470086      3.206588
  C      -9.759145      4.582318      3.852046
  C      -8.499513      4.482591      4.415975
  C      -7.778649      3.266125      4.350979
  C      -0.346283      1.319618      4.293762
  C      -1.300573      0.270991      4.790989
  C      -2.322245     -0.381656      4.148195
  C      -2.861755     -0.193662      2.826808
  N      -2.350425      0.773065      2.023909
  C      -2.924843      0.968821      0.824185
  N      -3.966758      0.344206      0.295427
  C      -4.515919     -0.643845      1.074406
  C      -5.652238     -1.333875      0.590169
  C      -6.242820     -2.333671      1.340057
  C      -5.707219     -2.688267      2.594322
  C      -4.594097     -2.030251      3.087965
  C      -3.980261     -0.985217      2.357930
  C      -3.447606      0.543498      7.671145
  C      -4.604356      0.981244      8.523200
  C      -5.911017      0.675842      8.372081
  C      -6.463826     -0.317177      7.459856
  N      -5.680859     -1.339498      7.083650
  C      -6.249173     -2.307533      6.328603
  N      -7.501319     -2.393316      5.914189
  C      -8.307822     -1.334953      6.232966
  C      -9.640457     -1.316186      5.756017
  C     -10.452290     -0.228654      6.006824
  C      -9.965433      0.876229      6.740564
  C      -8.676013      0.874012      7.235691
  C      -7.823784     -0.234025      7.007920
  H      -4.013036      6.046724      6.266021
  H      -4.115271      5.418536      7.922528
  H      -4.645718      3.068348      6.937003
  H      -5.869327      5.160864      5.039177
  H      -6.073800     -0.119159      4.253011
  H     -10.100924      1.387350      2.660463
  H     -11.335449      3.562664      2.764355
  H     -10.308115      5.523802      3.908497
  H      -8.064108      5.341779      4.928400
  H       0.664167      0.871722      4.214591
  H      -0.619056      1.655787      3.283660
  H      -1.092558     -0.050318      5.816436
  H      -2.838496     -1.124865      4.756978
  H      -2.471649      1.757952      0.212302
  H      -6.043928     -1.041467     -0.385309
  H      -7.127971     -2.849530      0.964126
  H      -6.182985     -3.469385      3.188921
  H      -4.200835     -2.318305      4.062606
  H      -3.068708     -0.447974      7.987998
  H      -3.781073      0.408342      6.630552
  H      -4.350545      1.721789      9.289098
  H      -6.630838      1.206921      8.998933
  H      -5.584501     -3.131639      6.047052
  H      -9.984037     -2.167464      5.167015
  H     -11.472428     -0.209027      5.619576
  H     -10.608904      1.742323      6.903077
  H      -8.301305      1.744001      7.775728
  N      -3.139724      2.647053      4.428781
  H      -4.036925      2.143218      4.603389
  H      -2.671674      2.167396      3.648742
  H      -3.421910      3.569500      4.084245
93
Coordinates from ORCA-job orca E -6201.299785651376
  N      -2.461570      4.700562      6.834506
  Mo     -1.932296      2.829729      6.309249
  N      -2.370041      1.529949      7.710560
  C      -1.529340      1.433147      8.900490
  C      -0.820444      2.760363      9.120131
  N      -0.362897      3.299696      7.810886
  C      -0.240484      4.783218      7.826171
  C      -1.621262      5.412460      7.790969
  C       0.899686      2.658671      7.352994
  C       0.993227      2.785931      5.834233
  N      -0.296252      2.439390      5.247541
  H      -1.517141      6.482831      7.524906
  H      -2.083940      5.397214      8.800610
  H       0.317392      5.067066      6.923694
  H       0.336432      5.117815      8.706325
  H       1.789459      2.118014      5.464822
  H       1.293720      3.812410      5.552710
  H       0.838768      1.594837      7.621262
  H       1.766906      3.103447      7.874336
  H      -2.129587      1.200889      9.799500
  H      -0.803190      0.600535      8.794914
  H      -1.533818      3.483627      9.537070
  H       0.029181      2.669389      9.819138
  C      -3.848076      5.135350      6.873449
  C      -4.748473      4.029311      6.412453
  C      -5.695862      4.168688      5.451268
  C      -6.479149      3.076353      4.901898
  N      -5.915863      1.850022      4.879345
  C      -6.594022      0.856709      4.263162
  N      -7.767885      0.927142      3.660312
  C      -8.394762      2.143850      3.713733
  C      -9.680728      2.279487      3.140075
  C     -10.351518      3.487012      3.205082
  C      -9.763827      4.597882      3.848408
  C      -8.503652      4.494423      4.410352
  C      -7.787189      3.275304      4.345483
  C      -0.338428      1.320647      4.291932
  C      -1.287218      0.266186      4.787428
  C      -2.308404     -0.387362      4.145149
  C      -2.850679     -0.197879      2.825058
  N      -2.338515      0.767475      2.021137
  C      -2.915451      0.965117      0.822893
  N      -3.960001      0.343070      0.296325
  C      -4.510536     -0.643060      1.076756
  C      -5.650265     -1.329411      0.595326
  C      -6.243196     -2.326204      1.347338
  C      -5.707028     -2.681008      2.601283
  C      -4.590698     -2.026451      3.092286
  C      -3.973669     -0.985121      2.359609
  C      -3.442744      0.537218      7.672491
  C      -4.600965      0.977532      8.521114
  C      -5.907868      0.673767      8.368386
  C      -6.461107     -0.319966      7.457472
  N      -5.677311     -1.341134      7.079457
  C      -6.245859     -2.310108      6.325988
  N      -7.498979     -2.398275      5.914885
  C      -8.306697     -1.341503      6.235980
  C      -9.640898     -1.325687      5.763360
  C     -10.454481     -0.240068      6.016965
  C      -9.967801      0.865835      6.749191
  C      -8.676637      0.866629      7.239881
  C      -7.822537     -0.239410      7.009223
  H      -4.012076      6.044698      6.261225
  H      -4.119975      5.414738      7.916596
  H      -4.651068      3.066713      6.925146
  H      -5.872328      5.164494      5.031960
  H      -6.093502     -0.115732      4.246642
  H     -10.118730      1.402963      2.660461
  H     -11.345512      3.582662      2.764391
  H     -10.309442      5.541321      3.904740
  H      -8.064402      5.352636      4.921108
  H       0.673797      0.877675      4.208274
  H      -0.615120      1.658906      3.283499
  H      -1.077149     -0.056674      5.811971
  H      -2.822340     -1.132463      4.753506
  H      -2.461180      1.752730      0.209877
  H      -6.042737     -1.036534     -0.379691
  H      -7.130874     -2.839249      0.973534
  H      -6.184994     -3.459298      3.197811
  H      -4.197266     -2.314043      4.066949
  H      -3.063518     -0.452679      7.993837
  H      -3.773375      0.398047      6.631605
  H      -4.347646      1.718536      9.286724
  H      -6.627649      1.206450      8.993899
  H      -5.580446     -3.132939      6.042509
  H      -9.984559     -2.177769      5.175567
  H     -11.475996     -0.222942      5.633245
  H     -10.612825      1.730306      6.914154
  H      -8.302277      1.737369      7.778919
  N      -3.137622      2.638456      4.430602
  H      -4.037828      2.139234      4.603586
  H      -2.669617      2.155066      3.652870
  H      -3.413672      3.561489      4.082726
93
Coordinates from ORCA-job orca E -6201.299792943070
  N      -2.468752      4.690272      6.835964
  Mo     -1.928274      2.822332      6.311068
  N      -2.362543      1.518937      7.709046
  C      -1.524590      1.426438      8.901323
  C      -0.821747      2.756890      9.121789
  N      -0.364043      3.298060      7.813381
  C      -0.247660      4.781951      7.828111
  C      -1.630874      5.406273      7.791538
  C       0.901266      2.661330      7.357005
  C       0.997299      2.788352      5.838399
  N      -0.290235      2.439213      5.248735
  H      -1.529852      6.476578      7.523891
  H      -2.093713      5.391347      8.801177
  H       0.309801      5.067409      6.925849
  H       0.327281      5.119341      8.708518
  H       1.795491      2.121389      5.471409
  H       1.297101      3.815159      5.556898
  H       0.843392      1.597434      7.625635
  H       1.766351      3.109068      7.879384
  H      -2.126316      1.192920      9.799012
  H      -0.795105      0.596491      8.798448
  H      -1.539338      3.477051      9.536850
  H       0.026780      2.670048      9.822672
  C      -3.854911      5.126695      6.870186
  C      -4.757203      4.024431      6.404142
  C      -5.704049      4.167318      5.443993
  C      -6.488605      3.075734      4.893137
  N      -5.924607      1.850115      4.865913
  C      -6.604606      0.857175      4.250855
  N      -7.781035      0.928265      3.653178
  C      -8.407972      2.144666      3.710660
  C      -9.696190      2.280771      3.142122
  C     -10.366772      3.488188      3.211014
  C      -9.776637      4.598480      3.853212
  C      -8.514431      4.494601      4.410373
  C      -7.798234      3.275461      4.341646
  C      -0.326313      1.327412      4.285461
  C      -1.263005      0.261099      4.778838
  C      -2.283211     -0.395566      4.138752
  C      -2.832305     -0.203575      2.821678
  N      -2.320964      0.760493      2.015830
  C      -2.903293      0.960500      0.820526
  N      -3.952003      0.341560      0.298652
  C      -4.502174     -0.642801      1.081571
  C      -5.646527     -1.325098      0.605373
  C      -6.240189     -2.319035      1.360547
  C      -5.700577     -2.674519      2.612814
  C      -4.579788     -2.023844      3.098783
  C      -3.960988     -0.986200      2.362278
  C      -3.436362      0.527131      7.671894
  C      -4.595145      0.973699      8.516356
  C      -5.903517      0.677202      8.360842
  C      -6.461097     -0.314706      7.450963
  N      -5.681296     -1.339072      7.072660
  C      -6.254610     -2.307362      6.322232
  N      -7.509145     -2.392657      5.914645
  C      -8.313089     -1.333206      6.236537
  C      -9.648911     -1.315012      5.768624
  C     -10.459387     -0.227380      6.023842
  C      -9.967771      0.878273      6.753000
  C      -8.674776      0.876898      7.238989
  C      -7.823709     -0.231124      7.006548
  H      -4.015056      6.038291      6.260249
  H      -4.130143      5.403654      7.913216
  H      -4.657622      3.058731      6.910327
  H      -5.880387      5.164024      5.026795
  H      -6.103807     -0.115106      4.231180
  H     -10.135951      1.404770      2.663176
  H     -11.362410      3.584306      2.774170
  H     -10.322035      5.541871      3.912371
  H      -8.073301      5.352408      4.920185
  H       0.689538      0.894776      4.192632
  H      -0.611831      1.669769      3.280794
  H      -1.047149     -0.064218      5.801453
  H      -2.790774     -1.145341      4.746654
  H      -2.449496      1.746867      0.205590
  H      -6.042071     -1.031265     -0.368107
  H      -7.131410     -2.828893      0.990857
  H      -6.179732     -3.449837      3.212238
  H      -4.184312     -2.311145      4.072654
  H      -3.059039     -0.461770      7.998432
  H      -3.764107      0.384188      6.630664
  H      -4.340151      1.714357      9.281743
  H      -6.621313      1.214949      8.984272
  H      -5.592488     -3.132818      6.038692
  H      -9.996644     -2.167141      5.183291
  H     -11.482272     -0.208702      5.643857
  H     -10.610432      1.744229      6.919426
  H      -8.296793      1.747428      7.775820
  N      -3.136877      2.628845      4.433890
  H      -4.041213      2.135854      4.604351
  H      -2.669924      2.142160      3.657908
  H      -3.405513      3.553175      4.083645
93
Coordinates from ORCA-job orca E -6201.299797298238
  N      -2.469118      4.689335      6.837886
  Mo     -1.927262      2.821670      6.312963
  N      -2.361385      1.516521      7.708451
  C      -1.524785      1.424489      8.901972
  C      -0.822819      2.755396      9.123380
  N      -0.364492      3.297371      7.815597
  C      -0.248397      4.781203      7.831097
  C      -1.631854      5.405420      7.793764
  C       0.900583      2.659989      7.358881
  C       0.997803      2.786928      5.840569
  N      -0.289211      2.438803      5.248186
  H      -1.530196      6.475740      7.526291
  H      -2.095019      5.390837      8.803298
  H       0.309645      5.067277      6.929367
  H       0.325676      5.118526      8.712085
  H       1.796319      2.119709      5.474660
  H       1.298483      3.813646      5.559462
  H       0.841714      1.596135      7.627481
  H       1.765885      3.106903      7.881623
  H      -2.127721      1.191116      9.798846
  H      -0.795097      0.594698      8.800137
  H      -1.541199      3.475000      9.538060
  H       0.025298      2.668759      9.824800
  C      -3.854668      5.127849      6.869176
  C      -4.757900      4.026663      6.402204
  C      -5.705111      4.170575      5.442613
  C      -6.489055      3.078405      4.892027
  N      -5.925063      1.852562      4.868735
  C      -6.603956      0.858159      4.255158
  N      -7.779333      0.927820      3.655082
  C      -8.406079      2.144535      3.708113
  C      -9.693189      2.279296      3.136801
  C     -10.363851      3.486978      3.201097
  C      -9.774854      4.598872      3.841513
  C      -8.513770      4.496295      4.401513
  C      -7.797459      3.276944      4.337449
  C      -0.323473      1.331967      4.279396
  C      -1.253769      0.259324      4.771218
  C      -2.275244     -0.397464      4.133864
  C      -2.829088     -0.203943      2.818573
  N      -2.317419      0.757767      2.010421
  C      -2.904483      0.959972      0.817627
  N      -3.958046      0.345139      0.300889
  C      -4.508019     -0.637428      1.086095
  C      -5.657044     -1.315456      0.615085
  C      -6.250309     -2.307825      1.372556
  C      -5.705651     -2.665947      2.621923
  C      -4.580528     -2.019248      3.103056
  C      -3.961914     -0.983139      2.364130
  C      -3.436297      0.525445      7.670873
  C      -4.594941      0.972805      8.515072
  C      -5.903299      0.675885      8.360195
  C      -6.460666     -0.317100      7.451398
  N      -5.680040     -1.340806      7.072898
  C      -6.252696     -2.309516      6.322627
  N      -7.507487     -2.396185      5.915893
  C      -8.312304     -1.337545      6.238210
  C      -9.648419     -1.320685      5.771020
  C     -10.459573     -0.233430      6.025777
  C      -9.968388      0.873112      6.753877
  C      -8.675188      0.872955      7.239319
  C      -7.823454     -0.234685      7.007445
  H      -4.011941      6.039500      6.258570
  H      -4.131952      5.405922      7.911408
  H      -4.657640      3.060756      6.907946
  H      -5.880842      5.167335      5.025426
  H      -6.103243     -0.114252      4.239784
  H     -10.132240      1.402085      2.659428
  H     -11.358663      3.581969      2.762135
  H     -10.320169      5.542537      3.897031
  H      -8.073654      5.355465      4.909913
  H       0.693996      0.904845      4.179711
  H      -0.614937      1.677938      3.277694
  H      -1.035460     -0.067138      5.792972
  H      -2.780033     -1.148497      4.742551
  H      -2.450162      1.744240      0.200428
  H      -6.056439     -1.019681     -0.356216
  H      -7.145221     -2.814269      1.007173
  H      -6.184536     -3.440208      3.222904
  H      -4.181406     -2.308206      4.074993
  H      -3.059405     -0.463437      7.997648
  H      -3.763765      0.383506      6.629361
  H      -4.340110      1.713846      9.280156
  H      -6.620971      1.213926      8.983505
  H      -5.589731     -3.133915      6.037974
  H      -9.995872     -2.173390      5.186364
  H     -11.482669     -0.215903      5.646319
  H     -10.611562      1.738786      6.919790
  H      -8.297590      1.744116      7.775431
  N      -3.136444      2.625194      4.435724
  H      -4.041441      2.133404      4.606548
  H      -2.670327      2.137478      3.659947
  H      -3.404788      3.549359      4.084795
93
Coordinates from ORCA-job orca E -6201.299800479032
  N      -2.470484      4.688137      6.840184
  Mo     -1.927292      2.821251      6.313703
  N      -2.360366      1.513846      7.707059
  C      -1.523836      1.420893      8.900595
  C      -0.822776      2.752072      9.123666
  N      -0.365072      3.296241      7.816541
  C      -0.250055      4.780184      7.834113
  C      -1.633996      5.403451      7.797323
  C       0.900290      2.660162      7.358671
  C       0.997423      2.788699      5.840602
  N      -0.289187      2.440304      5.247389
  H      -1.532966      6.474243      7.531473
  H      -2.097332      5.387093      8.806763
  H       0.308039      5.067841      6.932907
  H       0.323566      5.116623      8.715732
  H       1.796558      2.122366      5.474357
  H       1.297603      3.815907      5.560566
  H       0.842073      1.596023      7.626288
  H       1.765481      3.107052      7.881634
  H      -2.126878      1.186174      9.797022
  H      -0.793586      0.591740      8.797879
  H      -1.541578      3.470633      9.539411
  H       0.025611      2.665091      9.824720
  C      -3.856050      5.126838      6.870070
  C      -4.758898      4.025552      6.402483
  C      -5.706512      4.169435      5.443227
  C      -6.489160      3.076462      4.892415
  N      -5.922965      1.851530      4.868102
  C      -6.600113      0.856525      4.253746
  N      -7.775594      0.924545      3.653669
  C      -8.404708      2.139992      3.708092
  C      -9.692139      2.272948      3.137113
  C     -10.365046      3.479350      3.202568
  C      -9.777973      4.591753      3.843824
  C      -8.516585      4.490982      4.403525
  C      -7.798035      3.273003      4.338336
  C      -0.321651      1.336773      4.274979
  C      -1.246589      0.259125      4.766184
  C      -2.268134     -0.399158      4.130774
  C      -2.825892     -0.204806      2.817037
  N      -2.316347      0.757140      2.007978
  C      -2.906683      0.959725      0.816796
  N      -3.961757      0.345172      0.302882
  C      -4.509395     -0.637873      1.089068
  C      -5.659494     -1.315952      0.620723
  C      -6.250217     -2.309102      1.379105
  C      -5.701887     -2.667898      2.626698
  C      -4.575742     -2.021130      3.105290
  C      -3.959589     -0.984222      2.365356
  C      -3.436760      0.524339      7.669305
  C      -4.594525      0.973048      8.514052
  C      -5.903327      0.677858      8.359522
  C      -6.462290     -0.314070      7.450558
  N      -5.683455     -1.339252      7.072271
  C      -6.257622     -2.306710      6.321585
  N      -7.512349     -2.390758      5.914046
  C      -8.315167     -1.330487      6.235961
  C      -9.650863     -1.310668      5.767682
  C     -10.459907     -0.221716      6.021938
  C      -9.966959      0.883597      6.750719
  C      -8.674197      0.880525      7.237300
  C      -7.824627     -0.228853      7.005895
  H      -4.012523      6.038383      6.259119
  H      -4.134200      5.405290      7.911979
  H      -4.657719      3.059424      6.907852
  H      -5.883002      5.166372      5.026828
  H      -6.097191     -0.114702      4.236734
  H     -10.129664      1.395371      2.659002
  H     -11.360121      3.572868      2.763880
  H     -10.324952      5.534402      3.900242
  H      -8.077956      5.350566      4.912532
  H       0.697145      0.913986      4.170792
  H      -0.617406      1.685037      3.275368
  H      -1.024844     -0.068241      5.786938
  H      -2.769504     -1.152363      4.739624
  H      -2.454071      1.744139      0.198560
  H      -6.061675     -1.019611     -0.349254
  H      -7.146047     -2.815535      1.015980
  H      -6.178915     -3.442796      3.228337
  H      -4.174176     -2.310570      4.076092
  H      -3.061217     -0.465278      7.995284
  H      -3.764933      0.383684      6.627804
  H      -4.338566      1.713888      9.278951
  H      -6.620052      1.217081      8.982901
  H      -5.596107     -3.132375      6.037179
  H      -9.999663     -2.162513      5.182567
  H     -11.482621     -0.201887      5.641565
  H     -10.608384      1.750651      6.916206
  H      -8.295222      1.750787      7.773913
  N      -3.137011      2.624229      4.436579
  H      -4.042651      2.133484      4.607843
  H      -2.671842      2.135971      3.660761
  H      -3.405343      3.548380      4.085563
93
Coordinates from ORCA-job orca E -6201.299802180763
  N      -2.470240      4.688878      6.841458
  Mo     -1.927908      2.822069      6.313879
  N      -2.360888      1.513050      7.705645
  C      -1.524253      1.418513      8.898969
  C      -0.823092      2.749407      9.123619
  N      -0.365597      3.295221      7.817050
  C      -0.250404      4.779214      7.836659
  C      -1.634268      5.402584      7.800260
  C       0.899688      2.659663      7.358253
  C       0.996610      2.789645      5.840344
  N      -0.289878      2.441494      5.246753
  H      -1.533151      6.473825      7.536274
  H      -2.098052      5.384463      8.809464
  H       0.308088      5.067991      6.936056
  H       0.322969      5.114252      8.718967
  H       1.795975      2.123847      5.473594
  H       1.296710      3.817196      5.561342
  H       0.841634      1.595285      7.624946
  H       1.764979      3.106160      7.881387
  H      -2.127320      1.182618      9.795046
  H      -0.793878      0.589618      8.795117
  H      -1.541671      3.467563      9.540433
  H       0.025541      2.661431      9.824249
  C      -3.855637      5.128214      6.869986
  C      -4.758197      4.026536      6.402802
  C      -5.706004      4.169655      5.443432
  C      -6.487574      3.075837      4.893107
  N      -5.920183      1.851272      4.869764
  C      -6.596096      0.855451      4.255543
  N      -7.771422      0.921908      3.654942
  C      -8.401949      2.136695      3.708784
  C      -9.689370      2.268107      3.137507
  C     -10.363647      3.473812      3.202413
  C      -9.777984      4.587011      3.843500
  C      -8.516583      4.487753      4.403528
  C      -7.796617      3.270599      4.338771
  C      -0.321315      1.340289      4.271818
  C      -1.242573      0.259235      4.762638
  C      -2.264308     -0.399815      4.128713
  C      -2.824573     -0.204699      2.815968
  N      -2.316255      0.757451      2.006533
  C      -2.908369      0.960276      0.816225
  N      -3.964143      0.345717      0.303794
  C      -4.510505     -0.637624      1.090441
  C      -5.661041     -1.315884      0.623405
  C      -6.250322     -2.309496      1.382259
  C      -5.700125     -2.668475      2.628995
  C      -4.573587     -2.021524      3.106374
  C      -3.958778     -0.984191      2.365867
  C      -3.438426      0.524875      7.667304
  C      -4.595476      0.973919      8.512989
  C      -5.904405      0.678893      8.359369
  C      -6.464147     -0.312745      7.450514
  N      -5.686136     -1.338664      7.072544
  C      -6.261060     -2.305770      6.321981
  N      -7.515774     -2.388757      5.914178
  C      -8.317682     -1.327684      6.235681
  C      -9.653166     -1.306557      5.766864
  C     -10.461244     -0.216806      6.020762
  C      -9.967526      0.887989      6.749821
  C      -8.674967      0.883656      7.236926
  C      -7.826346     -0.226486      7.005749
  H      -4.011334      6.039055      6.257816
  H      -4.134224      5.408050      7.911391
  H      -4.657024      3.060795      6.908973
  H      -5.882960      5.166453      5.026919
  H      -6.092251     -0.115326      4.239258
  H     -10.125823      1.389905      2.659554
  H     -11.358735      3.566068      2.763484
  H     -10.326011      5.529070      3.899610
  H      -8.079019      5.347941      4.912447
  H       0.698306      0.920349      4.164535
  H      -0.619923      1.690124      3.273622
  H      -1.018264     -0.068551      5.782718
  H      -2.763593     -1.154367      4.737581
  H      -2.456787      1.744845      0.197446
  H      -6.064609     -1.019303     -0.345918
  H      -7.146538     -2.816073      1.020302
  H      -6.176136     -3.443788      3.230903
  H      -4.170938     -2.311250      4.076641
  H      -3.063993     -0.465617      7.991849
  H      -3.767437      0.385679      6.625830
  H      -4.338781      1.714812      9.277579
  H      -6.620570      1.218262      8.983276
  H      -5.600258     -3.132171      6.038029
  H     -10.002527     -2.158082      5.181616
  H     -11.483746     -0.195888      5.639884
  H     -10.608165      1.755664      6.915087
  H      -8.295443      1.753560      7.773728
  N      -3.137376      2.624630      4.436656
  H      -4.043117      2.134070      4.608540
  H      -2.672738      2.136270      3.660692
  H      -3.406465      3.548565      4.085587
