86
Coordinates from ORCA-job orca E -5476.068416580187
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  N      -5.280673     -2.458670      6.153698
  H      -5.638753     -2.880365      7.017774
86
Coordinates from ORCA-job orca E -5476.103167707030
  N      -3.918968     -3.400978      2.652708
  C      -3.915907     -3.991203      1.321177
  C      -3.135311     -5.288950      1.332857
  N      -3.595530     -6.094177      2.461360
  C      -4.823920     -6.843802      2.139400
  C      -5.701307     -6.927381      3.400922
  N      -5.929875     -5.604937      3.948398
  Mo     -4.022633     -4.764477      4.128320
  N      -2.062423     -5.181483      4.503588
  C      -1.476720     -6.238742      3.693473
  C      -2.547633     -7.006430      2.925655
  H      -0.935228     -6.981092      4.306685
  H      -0.732530     -5.829111      2.981409
  H      -3.015398     -7.732191      3.600942
  H      -2.099669     -7.563142      2.083525
  H      -6.630009     -7.463580      3.147742
  H      -5.183384     -7.561561      4.142239
  H      -5.377291     -6.296551      1.372515
  H      -4.583111     -7.845424      1.745968
  H      -3.450762     -3.341202      0.568285
  H      -4.951952     -4.176838      0.982133
  H      -2.081940     -5.040507      1.500360
  H      -3.229571     -5.839751      0.382396
  C      -1.716926      0.404304      1.089096
  C      -1.572233     -0.404683      2.141209
  C      -0.780773      0.020583      3.347422
  C      -2.127736     -1.804662      2.163567
  C      -3.649125     -1.953569      2.523756
  C      -4.548209     -1.304274      1.450085
  C      -3.907103     -1.171982      3.805619
  C      -7.385798     -5.802490      6.861927
  C      -8.321020     -5.346293      6.024799
  C      -9.404141     -4.408612      6.479744
  C      -8.354660     -5.760842      4.580611
  C      -7.261645     -5.073501      3.673170
  C      -7.716520     -5.285157      2.204758
  C      -7.299405     -3.554375      3.888887
  C      -3.254687     -5.456966      8.434386
  C      -2.821903     -6.000806      7.292256
  C      -3.739469     -6.768412      6.392315
  C      -1.404268     -5.865431      6.823088
  C      -1.220194     -4.837802      5.644251
  C       0.288735     -4.804663      5.301687
  C      -1.565822     -3.436459      6.159392
  H      -1.310791      1.411108      1.081325
  H      -2.245095      0.097399      0.192688
  H      -1.348276     -0.136294      4.268742
  H      -0.495048      1.073717      3.281501
  H       0.133909     -0.580382      3.417625
  H      -1.591533     -2.410295      2.904363
  H      -1.969305     -2.258849      1.177790
  H      -4.447160     -0.218530      1.496591
  H      -5.593318     -1.564531      1.640652
  H      -4.294575     -1.622338      0.435728
  H      -4.966373     -1.196866      4.051187
  H      -3.333566     -1.600023      4.620390
  H      -3.615877     -0.128630      3.657004
  H      -6.644051     -6.517282      6.526850
  H      -7.346162     -5.502847      7.905163
  H     -10.365899     -4.935958      6.484817
  H      -9.502646     -3.558080      5.798322
  H      -9.211749     -4.037772      7.490030
  H      -8.205394     -6.845324      4.506824
  H      -9.339127     -5.526931      4.160645
  H      -7.769352     -6.340972      1.925141
  H      -7.029022     -4.771157      1.527314
  H      -8.711987     -4.855579      2.063482
  H      -8.192117     -3.127376      3.421231
  H      -7.311782     -3.290017      4.944502
  H      -6.406852     -3.130761      3.427374
  H      -4.277565     -5.582500      8.777906
  H      -2.595768     -4.893614      9.086363
  H      -3.936772     -6.160554      5.475531
  H      -3.272029     -7.704699      6.068185
  H      -4.683836     -6.998708      6.889615
  H      -0.761569     -5.546101      7.650402
  H      -1.046342     -6.844970      6.477058
  H       0.703478     -5.799880      5.121453
  H       0.839794     -4.357457      6.132913
  H       0.453994     -4.192106      4.410196
  H      -2.641433     -3.343180      6.296653
  H      -1.060950     -3.242457      7.109744
  H      -1.236870     -2.692419      5.430364
  N      -4.743184     -3.405216      5.500320
  N      -5.183077     -2.592885      6.321889
  H      -5.534201     -3.060494      7.172717
86
Coordinates from ORCA-job orca E -5476.130305454930
  N      -3.924631     -3.392842      2.621267
  C      -3.919719     -4.005621      1.283701
  C      -3.137538     -5.300814      1.308291
  N      -3.601561     -6.104770      2.449380
  C      -4.841012     -6.863768      2.127561
  C      -5.710620     -6.935290      3.388651
  N      -5.938467     -5.598668      3.937240
  Mo     -4.036087     -4.746768      4.114168
  N      -2.071843     -5.170101      4.499400
  C      -1.479443     -6.241749      3.694445
  C      -2.544688     -7.019363      2.931343
  H      -0.939175     -6.978963      4.316779
  H      -0.730195     -5.837616      2.982778
  H      -3.017347     -7.740944      3.612473
  H      -2.095198     -7.585317      2.093822
  H      -6.641478     -7.474778      3.145000
  H      -5.188615     -7.568753      4.132297
  H      -5.393859     -6.320280      1.352588
  H      -4.595674     -7.869001      1.739116
  H      -3.450635     -3.366525      0.523954
  H      -4.956927     -4.193239      0.940558
  H      -2.080852     -5.051320      1.474817
  H      -3.229384     -5.864746      0.363116
  C      -1.668666      0.433350      1.093621
  C      -1.542579     -0.391913      2.146101
  C      -0.757199      0.011565      3.367331
  C      -2.116312     -1.789177      2.150966
  C      -3.646040     -1.930818      2.500348
  C      -4.544312     -1.268231      1.430439
  C      -3.910936     -1.163459      3.794074
  C      -7.394482     -5.829309      6.876509
  C      -8.336614     -5.371902      6.036640
  C      -9.428983     -4.444348      6.499883
  C      -8.366790     -5.774502      4.583534
  C      -7.286105     -5.070687      3.671079
  C      -7.741812     -5.282930      2.202376
  C      -7.338044     -3.551111      3.897961
  C      -3.260677     -5.432962      8.462602
  C      -2.826117     -5.983002      7.317335
  C      -3.750843     -6.763925      6.429797
  C      -1.407354     -5.841543      6.835969
  C      -1.221285     -4.817647      5.651733
  C       0.286117     -4.793815      5.299679
  C      -1.560543     -3.410584      6.161729
  H      -1.247882      1.441630      1.101613
  H      -2.195179      0.136597      0.183743
  H      -1.337512     -0.149132      4.287488
  H      -0.454433      1.066301      3.318113
  H       0.153053     -0.605622      3.445026
  H      -1.588217     -2.407710      2.892865
  H      -1.949965     -2.238245      1.159767
  H      -4.439872     -0.178372      1.489688
  H      -5.595291     -1.528610      1.621346
  H      -4.295276     -1.572647      0.405460
  H      -4.977145     -1.187368      4.040120
  H      -3.344205     -1.594400      4.622328
  H      -3.615193     -0.115041      3.654689
  H      -6.640423     -6.537317      6.534946
  H      -7.358643     -5.531981      7.928019
  H     -10.394836     -4.976643      6.498391
  H      -9.534200     -3.582681      5.823525
  H      -9.241410     -4.078091      7.518527
  H      -8.209193     -6.861332      4.498702
  H      -9.359300     -5.546766      4.165994
  H      -7.785531     -6.342877      1.914455
  H      -7.059876     -4.757097      1.518693
  H      -8.746923     -4.861498      2.067112
  H      -8.244915     -3.131579      3.438740
  H      -7.342332     -3.291139      4.960710
  H      -6.454337     -3.100117      3.432672
  H      -4.290073     -5.561778      8.807464
  H      -2.597281     -4.857453      9.111732
  H      -3.951164     -6.166328      5.505256
  H      -3.285555     -7.705120      6.100469
  H      -4.699191     -6.989601      6.929162
  H      -0.757941     -5.515740      7.661098
  H      -1.047372     -6.827239      6.492626
  H       0.698425     -5.796546      5.120112
  H       0.846896     -4.343598      6.129605
  H       0.451632     -4.182236      4.400238
  H      -2.638811     -3.303921      6.306851
  H      -1.046690     -3.214457      7.113369
  H      -1.230395     -2.664856      5.424831
  N      -4.648406     -3.466957      5.448362
  N      -5.052903     -2.667302      6.276402
  H      -5.401062     -3.128354      7.139908
86
Coordinates from ORCA-job orca E -5476.147879992206
  N      -3.940073     -3.387783      2.596415
  C      -3.931255     -4.012991      1.257895
  C      -3.140147     -5.303739      1.291028
  N      -3.605088     -6.108862      2.437861
  C      -4.846136     -6.877429      2.114325
  C      -5.713349     -6.943352      3.373487
  N      -5.942393     -5.599070      3.922948
  Mo     -4.057201     -4.727547      4.103127
  N      -2.089937     -5.151803      4.503394
  C      -1.489612     -6.230210      3.702886
  C      -2.543648     -7.018251      2.936769
  H      -0.950848     -6.961301      4.333681
  H      -0.735703     -5.826598      2.996377
  H      -3.022265     -7.737203      3.617738
  H      -2.088628     -7.588382      2.105021
  H      -6.644337     -7.485078      3.135972
  H      -5.191718     -7.574284      4.120554
  H      -5.394650     -6.337069      1.332525
  H      -4.592706     -7.882524      1.729535
  H      -3.461405     -3.374563      0.496530
  H      -4.967045     -4.203290      0.911446
  H      -2.083633     -5.051208      1.459979
  H      -3.225608     -5.876036      0.349754
  C      -1.653954      0.434838      1.098547
  C      -1.537514     -0.398004      2.148683
  C      -0.754552     -0.008541      3.375888
  C      -2.123421     -1.791521      2.143444
  C      -3.653521     -1.924032      2.489335
  C      -4.543978     -1.257459      1.418416
  C      -3.920673     -1.166985      3.789782
  C      -7.396704     -5.867100      6.868227
  C      -8.336771     -5.390020      6.034653
  C      -9.420464     -4.459399      6.512802
  C      -8.370921     -5.771834      4.574448
  C      -7.291861     -5.062673      3.666829
  C      -7.748340     -5.261057      2.198554
  C      -7.327710     -3.546673      3.917301
  C      -3.264514     -5.411569      8.487964
  C      -2.831821     -5.965538      7.342115
  C      -3.761330     -6.759387      6.470397
  C      -1.416511     -5.817952      6.846628
  C      -1.231697     -4.796723      5.661975
  C       0.271151     -4.781883      5.296621
  C      -1.559635     -3.388079      6.171566
  H      -1.224572      1.440913      1.115887
  H      -2.180691      0.143685      0.185041
  H      -1.339892     -0.170774      4.294752
  H      -0.440436      1.044697      3.337370
  H       0.150320     -0.635957      3.457908
  H      -1.600070     -2.418321      2.883267
  H      -1.956047     -2.237712      1.149869
  H      -4.436081     -0.166487      1.480895
  H      -5.597575     -1.515226      1.606845
  H      -4.294499     -1.558019      0.390575
  H      -4.989229     -1.187815      4.038570
  H      -3.360072     -1.596109      4.626236
  H      -3.620839     -0.117708      3.655511
  H      -6.646689     -6.575056      6.514472
  H      -7.356495     -5.580767      7.924280
  H     -10.395111     -4.978879      6.503382
  H      -9.518886     -3.584763      5.849401
  H      -9.230508     -4.108241      7.537719
  H      -8.222182     -6.859442      4.472594
  H      -9.364743     -5.533589      4.161860
  H      -7.797127     -6.318932      1.898918
  H      -7.065114     -4.732164      1.515864
  H      -8.753609     -4.834377      2.068710
  H      -8.236220     -3.113078      3.472101
  H      -7.317964     -3.301755      4.986585
  H      -6.445670     -3.085033      3.453548
  H      -4.294530     -5.544874      8.834542
  H      -2.599541     -4.825959      9.129181
  H      -3.967447     -6.173968      5.540047
  H      -3.297013     -7.701788      6.138188
  H      -4.709333     -6.982330      6.972506
  H      -0.760145     -5.488394      7.666428
  H      -1.057026     -6.806041      6.504874
  H       0.678556     -5.787553      5.113755
  H       0.842851     -4.333413      6.122076
  H       0.433592     -4.170653      4.394578
  H      -2.633057     -3.265264      6.330959
  H      -1.033741     -3.195730      7.119091
  H      -1.231017     -2.641858      5.431541
  N      -4.579698     -3.539819      5.384000
  N      -4.965849     -2.741462      6.227037
  H      -5.307925     -3.191233      7.098286
86
Coordinates from ORCA-job orca E -5476.155392012137
  N      -3.950924     -3.381544      2.559023
  C      -3.931290     -4.021245      1.227190
  C      -3.132882     -5.308661      1.272860
  N      -3.607250     -6.110502      2.418979
  C      -4.847231     -6.880165      2.090256
  C      -5.719478     -6.936714      3.344719
  N      -5.945354     -5.589253      3.892156
  Mo     -4.082932     -4.695852      4.082878
  N      -2.119780     -5.127877      4.511677
  C      -1.513960     -6.212898      3.720990
  C      -2.552924     -7.010971      2.946178
  H      -0.981552     -6.937036      4.364280
  H      -0.750928     -5.812888      3.023448
  H      -3.045911     -7.722768      3.624406
  H      -2.086454     -7.589447      2.127057
  H      -6.653669     -7.474541      3.112479
  H      -5.205874     -7.566911      4.097251
  H      -5.384662     -6.341559      1.299532
  H      -4.587176     -7.885640      1.711582
  H      -3.459075     -3.383129      0.466929
  H      -4.962783     -4.214940      0.873245
  H      -2.077546     -5.057263      1.449363
  H      -3.208848     -5.887967      0.334996
  C      -1.619305      0.421851      1.100118
  C      -1.518261     -0.418667      2.143720
  C      -0.741379     -0.047269      3.378810
  C      -2.121401     -1.804702      2.124451
  C      -3.651309     -1.923017      2.468300
  C      -4.532146     -1.246874      1.397862
  C      -3.919142     -1.183898      3.777601
  C      -7.392089     -5.969993      6.846197
  C      -8.325499     -5.451421      6.032921
  C      -9.392503     -4.521296      6.545228
  C      -8.367007     -5.782021      4.561013
  C      -7.297357     -5.045698      3.667172
  C      -7.758535     -5.211548      2.199397
  C      -7.322168     -3.540172      3.966778
  C      -3.270089     -5.366985      8.513176
  C      -2.847657     -5.932019      7.370092
  C      -3.784490     -6.742092      6.523138
  C      -1.439368     -5.782280      6.856800
  C      -1.257438     -4.767433      5.670670
  C       0.240090     -4.767418      5.288825
  C      -1.568425     -3.353135      6.171206
  H      -1.179712      1.422418      1.129735
  H      -2.143044      0.140202      0.182888
  H      -1.335476     -0.208181      4.292015
  H      -0.411042      1.000961      3.352257
  H       0.152267     -0.689221      3.468361
  H      -1.604889     -2.442901      2.859139
  H      -1.955141     -2.246495      1.129129
  H      -4.416124     -0.156864      1.463104
  H      -5.587966     -1.495546      1.584135
  H      -4.283887     -1.544445      0.369382
  H      -4.986879     -1.207742      4.031816
  H      -3.360171     -1.613435      4.614925
  H      -3.620184     -0.133408      3.653607
  H      -6.651288     -6.672355      6.464863
  H      -7.342907     -5.715013      7.909020
  H     -10.377970     -5.018518      6.514592
  H      -9.474929     -3.620426      5.916041
  H      -9.198931     -4.210986      7.582129
  H      -8.227663     -6.865990      4.418389
  H      -9.363158     -5.528631      4.163693
  H      -7.805579     -6.262112      1.875888
  H      -7.080693     -4.666762      1.524462
  H      -8.765895     -4.785899      2.083630
  H      -8.242275     -3.091593      3.562847
  H      -7.277199     -3.329666      5.042723
  H      -6.456126     -3.057007      3.495049
  H      -4.297708     -5.496235      8.865229
  H      -2.600838     -4.769460      9.137542
  H      -3.995284     -6.174707      5.583327
  H      -3.324595     -7.688752      6.196881
  H      -4.731942     -6.953089      7.029984
  H      -0.775432     -5.449622      7.669176
  H      -1.080270     -6.771644      6.519237
  H       0.639219     -5.775459      5.104874
  H       0.824482     -4.321018      6.106338
  H       0.398915     -4.159493      4.384545
  H      -2.633458     -3.208852      6.357922
  H      -1.020955     -3.158355      7.105509
  H      -1.247103     -2.614444      5.420844
  N      -4.542616     -3.555347      5.342013
  N      -4.914018     -2.747256      6.202536
  H      -5.261024     -3.192202      7.067950
86
Coordinates from ORCA-job orca E -5476.161006610262
  N      -3.952379     -3.378481      2.524196
  C      -3.920682     -4.029610      1.201314
  C      -3.118120     -5.314913      1.258753
  N      -3.607056     -6.113147      2.399410
  C      -4.846571     -6.875832      2.062271
  C      -5.727687     -6.924487      3.310022
  N      -5.944864     -5.577554      3.856680
  Mo     -4.103273     -4.668121      4.061660
  N      -2.150425     -5.114870      4.523316
  C      -1.542242     -6.204988      3.742288
  C      -2.568011     -7.007381      2.956493
  H      -1.019692     -6.925793      4.396666
  H      -0.768179     -5.810573      3.054625
  H      -3.079060     -7.710257      3.630397
  H      -2.088575     -7.595872      2.152300
  H      -6.667264     -7.452087      3.078074
  H      -5.226781     -7.559592      4.066399
  H      -5.370972     -6.335303      1.264317
  H      -4.584698     -7.882063      1.687756
  H      -3.446774     -3.390375      0.442936
  H      -4.947749     -4.227728      0.839366
  H      -2.064026     -5.067186      1.444689
  H      -3.184846     -5.897490      0.322130
  C      -1.592848      0.409185      1.087068
  C      -1.503326     -0.431963      2.128606
  C      -0.738377     -0.065393      3.371150
  C      -2.113644     -1.814303      2.101884
  C      -3.643201     -1.925538      2.442857
  C      -4.516708     -1.247661      1.368948
  C      -3.915453     -1.197516      3.755277
  C      -7.383501     -6.100491      6.812138
  C      -8.304925     -5.522538      6.029012
  C      -9.341211     -4.584672      6.585582
  C      -8.361137     -5.790897      4.546214
  C      -7.298239     -5.026007      3.671236
  C      -7.763613     -5.146063      2.202620
  C      -7.308919     -3.535836      4.028895
  C      -3.279760     -5.326014      8.536360
  C      -2.868293     -5.904758      7.397709
  C      -3.811476     -6.729420      6.574855
  C      -1.466476     -5.756175      6.869651
  C      -1.287156     -4.748469      5.681384
  C       0.207850     -4.758958      5.289671
  C      -1.583778     -3.329019      6.171133
  H      -1.150851      1.407321      1.123180
  H      -2.109410      0.128914      0.166719
  H      -1.342973     -0.222141      4.277321
  H      -0.398921      0.979209      3.349566
  H       0.147151     -0.715453      3.473931
  H      -1.600938     -2.456808      2.834978
  H      -1.945285     -2.255229      1.107345
  H      -4.395352     -0.158313      1.429651
  H      -5.573761     -1.488436      1.554378
  H      -4.267847     -1.549467      0.342701
  H      -4.981233     -1.231925      4.014780
  H      -3.352618     -1.620630      4.592118
  H      -3.626000     -0.144356      3.635644
  H      -6.664718     -6.804030      6.395133
  H      -7.317370     -5.887267      7.882112
  H     -10.342478     -5.045430      6.532297
  H      -9.395072     -3.653749      5.999933
  H      -9.138521     -4.328262      7.634580
  H      -8.238773     -6.868672      4.355018
  H      -9.358632     -5.514212      4.169365
  H      -7.810836     -6.186228      1.849506
  H      -7.087394     -4.583069      1.542197
  H      -8.771247     -4.718270      2.101492
  H      -8.242568     -3.072098      3.678349
  H      -7.219458     -3.368456      5.109004
  H      -6.462940     -3.030549      3.545025
  H      -4.305178     -5.447990      8.894107
  H      -2.606420     -4.717339      9.143393
  H      -4.025014     -6.180470      5.625602
  H      -3.356909     -7.682404      6.260878
  H      -4.758309     -6.924412      7.086898
  H      -0.797124     -5.421089      7.676233
  H      -1.106257     -6.746033      6.537017
  H       0.602220     -5.767663      5.106430
  H       0.799273     -4.313563      6.102020
  H       0.365159     -4.153267      4.384747
  H      -2.640425     -3.168136      6.386866
  H      -1.013285     -3.128940      7.089827
  H      -1.273401     -2.599301      5.408761
  N      -4.534431     -3.524603      5.336642
  N      -4.893214     -2.706676      6.208215
  H      -5.257969     -3.155713      7.060405
86
Coordinates from ORCA-job orca E -5476.168127197607
  N      -3.958877     -3.373600      2.492693
  C      -3.918224     -4.032800      1.174989
  C      -3.114621     -5.320198      1.235697
  N      -3.613476     -6.119734      2.371012
  C      -4.852711     -6.877053      2.030497
  C      -5.737589     -6.921286      3.277220
  N      -5.941863     -5.574103      3.824456
  Mo     -4.126350     -4.638265      4.044494
  N      -2.182544     -5.108547      4.533636
  C      -1.575865     -6.205104      3.755461
  C      -2.588614     -7.008342      2.952938
  H      -1.065796     -6.926224      4.418643
  H      -0.789910     -5.816107      3.079236
  H      -3.116474     -7.704922      3.620036
  H      -2.096458     -7.603641      2.161611
  H      -6.683747     -7.437831      3.050024
  H      -5.245898     -7.561477      4.034768
  H      -5.367426     -6.333823      1.228385
  H      -4.591036     -7.883594      1.657937
  H      -3.443489     -3.388859      0.421003
  H      -4.941714     -4.232507      0.806310
  H      -2.061102     -5.078108      1.427964
  H      -3.175711     -5.901732      0.297887
  C      -1.587680      0.413090      1.092577
  C      -1.505018     -0.430535      2.129257
  C      -0.753448     -0.068709      3.379500
  C      -2.113962     -1.812531      2.090105
  C      -3.643357     -1.924854      2.422747
  C      -4.508416     -1.246034      1.343845
  C      -3.926356     -1.210472      3.737342
  C      -7.353761     -6.162387      6.770172
  C      -8.275878     -5.553661      6.015726
  C      -9.286571     -4.609336      6.604166
  C      -8.352045     -5.794097      4.530736
  C      -7.296076     -5.018483      3.661592
  C      -7.758192     -5.120274      2.193329
  C      -7.298105     -3.540305      4.050750
  C      -3.269969     -5.291752      8.573668
  C      -2.875616     -5.889783      7.440847
  C      -3.826246     -6.734253      6.653693
  C      -1.485090     -5.745008      6.886580
  C      -1.311330     -4.747251      5.692351
  C       0.180597     -4.773197      5.286754
  C      -1.583848     -3.323149      6.175475
  H      -1.148770      1.410574      1.137571
  H      -2.095615      0.133603      0.169130
  H      -1.365867     -0.229718      4.278299
  H      -0.412905      0.974434      3.367239
  H       0.128387     -0.720539      3.491503
  H      -1.603534     -2.458113      2.821332
  H      -1.938294     -2.248864      1.096027
  H      -4.388624     -0.157016      1.403163
  H      -5.565786     -1.485376      1.522785
  H      -4.252095     -1.547967      0.320778
  H      -4.991327     -1.253097      3.995518
  H      -3.366774     -1.630171      4.576139
  H      -3.642976     -0.155393      3.626681
  H      -6.655442     -6.867361      6.324837
  H      -7.260816     -5.968673      7.840539
  H     -10.297167     -5.046398      6.551673
  H      -9.329209     -3.665753      6.040673
  H      -9.067858     -4.378888      7.654764
  H      -8.243735     -6.868058      4.317267
  H      -9.351196     -5.506114      4.168566
  H      -7.802138     -6.156581      1.831978
  H      -7.079989     -4.551722      1.541466
  H      -8.765723     -4.693677      2.092145
  H      -8.237844     -3.069777      3.729537
  H      -7.183658     -3.399551      5.131040
  H      -6.464720     -3.019687      3.563039
  H      -4.290811     -5.408201      8.943539
  H      -2.590964     -4.667656      9.155351
  H      -4.048683     -6.208222      5.696464
  H      -3.374283     -7.692370      6.353659
  H      -4.767629     -6.915271      7.177470
  H      -0.804877     -5.405310      7.681570
  H      -1.127140     -6.736826      6.560915
  H       0.567055     -5.782943      5.103179
  H       0.782135     -4.330975      6.092329
  H       0.335942     -4.170113      4.381389
  H      -2.629418     -3.134861      6.417812
  H      -0.991945     -3.127748      7.080755
  H      -1.275308     -2.602123      5.406105
  N      -4.527826     -3.482412      5.348760
  N      -4.870008     -2.652878      6.234506
  H      -5.236159     -3.112782      7.077066
86
Coordinates from ORCA-job orca E -5476.172311305568
  N      -3.959085     -3.362707      2.447735
  C      -3.902070     -4.041445      1.144359
  C      -3.100183     -5.330851      1.226692
  N      -3.618016     -6.124945      2.354739
  C      -4.853595     -6.873411      2.004580
  C      -5.742380     -6.905519      3.241956
  N      -5.933879     -5.559122      3.779744
  Mo     -4.146016     -4.600583      4.009360
  N      -2.220214     -5.088009      4.543933
  C      -1.611874     -6.190891      3.781049
  C      -2.611763     -7.002086      2.974865
  H      -1.113049     -6.906719      4.458769
  H      -0.814811     -5.811809      3.112445
  H      -3.157619     -7.685001      3.642616
  H      -2.103191     -7.613518      2.205051
  H      -6.695190     -7.410337      3.017795
  H      -5.261256     -7.547830      4.004430
  H      -5.356384     -6.330949      1.194092
  H      -4.592391     -7.882949      1.640121
  H      -3.421450     -3.403127      0.389695
  H      -4.920787     -4.246167      0.765513
  H      -2.047872     -5.093787      1.432279
  H      -3.149564     -5.916083      0.290111
  C      -1.530666      0.400475      1.068124
  C      -1.473744     -0.442715      2.108506
  C      -0.736751     -0.088704      3.369718
  C      -2.099307     -1.818381      2.062348
  C      -3.631743     -1.918120      2.384937
  C      -4.483488     -1.230440      1.300174
  C      -3.922588     -1.212254      3.701975
  C      -7.320845     -6.302240      6.738634
  C      -8.235414     -5.628570      6.023120
  C      -9.213976     -4.683651      6.670734
  C      -8.336834     -5.796731      4.525752
  C      -7.292019     -4.994084      3.668513
  C      -7.772416     -5.042086      2.203030
  C      -7.274339     -3.531778      4.114935
  C      -3.279862     -5.246023      8.592148
  C      -2.900480     -5.862037      7.463051
  C      -3.856464     -6.725568      6.698801
  C      -1.516640     -5.716301      6.894603
  C      -1.349961     -4.721283      5.701457
  C       0.141539     -4.748512      5.291367
  C      -1.615591     -3.294460      6.176186
  H      -1.079346      1.393141      1.117177
  H      -2.027762      0.123222      0.138097
  H      -1.366860     -0.236435      4.260100
  H      -0.376724      0.949044      3.359683
  H       0.131330     -0.757616      3.500671
  H      -1.599572     -2.470773      2.795769
  H      -1.919034     -2.256037      1.069399
  H      -4.353293     -0.141954      1.356468
  H      -5.544383     -1.457414      1.474698
  H      -4.224264     -1.537287      0.279341
  H      -4.987186     -1.264205      3.962029
  H      -3.361277     -1.628286      4.541572
  H      -3.646766     -0.153979      3.596395
  H      -6.642492     -7.004085      6.250806
  H      -7.212507     -6.161873      7.818503
  H     -10.239067     -5.086371      6.599322
  H      -9.232968     -3.705288      6.159320
  H      -8.980806     -4.516466      7.734172
  H      -8.249585     -6.863571      4.258779
  H      -9.339395     -5.480977      4.192789
  H      -7.823620     -6.066470      1.809175
  H      -7.098104     -4.455698      1.562857
  H      -8.779373     -4.608557      2.125939
  H      -8.229880     -3.046149      3.855785
  H      -7.105675     -3.434863      5.197287
  H      -6.464637     -2.990902      3.607610
  H      -4.294474     -5.358143      8.976961
  H      -2.593951     -4.607616      9.151543
  H      -4.081925     -6.221901      5.732354
  H      -3.407739     -7.691429      6.418159
  H      -4.798891     -6.890428      7.228071
  H      -0.831500     -5.374022      7.684633
  H      -1.154976     -6.707503      6.571176
  H       0.529383     -5.757172      5.108007
  H       0.744206     -4.305811      6.095529
  H       0.295420     -4.144312      4.386706
  H      -2.653902     -3.098042      6.446588
  H      -1.001872     -3.092852      7.066676
  H      -1.321657     -2.578869      5.395750
  N      -4.583870     -3.503094      5.342216
  N      -4.961206     -2.700063      6.235375
  H      -5.349022     -3.198997      7.049140
86
Coordinates from ORCA-job orca E -5476.173789666572
  N      -3.941447     -3.354979      2.439934
  C      -3.895126     -4.042865      1.147455
  C      -3.112489     -5.344456      1.233326
  N      -3.632978     -6.139937      2.357262
  C      -4.869560     -6.876050      2.024948
  C      -5.731984     -6.897129      3.270634
  N      -5.903261     -5.549848      3.784628
  Mo     -4.120032     -4.593538      3.984680
  N      -2.214656     -5.104445      4.525145
  C      -1.620525     -6.204948      3.761245
  C      -2.634507     -7.013053      2.980982
  H      -1.118701     -6.922847      4.434149
  H      -0.830891     -5.834110      3.080575
  H      -3.177336     -7.684215      3.662105
  H      -2.131885     -7.638379      2.219112
  H      -6.693695     -7.390803      3.058456
  H      -5.247710     -7.538435      4.032559
  H      -5.383946     -6.334739      1.221610
  H      -4.622793     -7.890485      1.662407
  H      -3.415008     -3.414183      0.384273
  H      -4.918104     -4.244090      0.777109
  H      -2.056799     -5.118590      1.436370
  H      -3.171030     -5.922990      0.293415
  C      -1.532854      0.443463      1.108245
  C      -1.473776     -0.413415      2.138920
  C      -0.746381     -0.070291      3.410130
  C      -2.089124     -1.791413      2.070829
  C      -3.620650     -1.907325      2.387931
  C      -4.477515     -1.206248      1.314551
  C      -3.917964     -1.223045      3.715237
  C      -7.367675     -6.174719      6.797217
  C      -8.256228     -5.551585      6.027742
  C      -9.254883     -4.595215      6.592938
  C      -8.316809     -5.787324      4.552917
  C      -7.275698     -5.004622      3.678691
  C      -7.751759     -5.115607      2.221395
  C      -7.297551     -3.534598      4.050325
  C      -3.211362     -5.269404      8.586999
  C      -2.851298     -5.891355      7.452077
  C      -3.809719     -6.768701      6.700624
  C      -1.476845     -5.730743      6.864879
  C      -1.340691     -4.731129      5.672517
  C       0.150877     -4.725569      5.256860
  C      -1.640176     -3.311777      6.146471
  H      -1.089000      1.438528      1.172103
  H      -2.024816      0.175116      0.171154
  H      -1.380764     -0.230890      4.293830
  H      -0.392191      0.968285      3.414153
  H       0.123775     -0.734225      3.538807
  H      -1.585397     -2.450528      2.795560
  H      -1.906932     -2.212112      1.071300
  H      -4.346178     -0.118570      1.381073
  H      -5.538708     -1.435193      1.489843
  H      -4.221012     -1.504579      0.289773
  H      -4.981281     -1.297842      3.975703
  H      -3.344073     -1.645210      4.544814
  H      -3.660686     -0.159162      3.625391
  H      -6.668675     -6.885378      6.379418
  H      -7.307156     -5.984485      7.861213
  H     -10.275655     -5.003779      6.512810
  H      -9.256180     -3.654982      6.041661
  H      -9.057392     -4.379765      7.641558
  H      -8.210616     -6.852591      4.338531
  H      -9.317850     -5.508091      4.193376
  H      -7.784652     -6.151948      1.868194
  H      -7.080276     -4.544256      1.568307
  H      -8.766325     -4.703222      2.122273
  H      -8.272614     -3.103837      3.785328
  H      -7.120945     -3.379944      5.109912
  H      -6.511232     -2.992378      3.506836
  H      -4.213772     -5.388432      9.000852
  H      -2.516754     -4.620988      9.126309
  H      -4.052181     -6.274862      5.738534
  H      -3.354923     -7.735369      6.430294
  H      -4.745418     -6.936505      7.243538
  H      -0.786441     -5.380116      7.647665
  H      -1.103838     -6.716916      6.535418
  H       0.558922     -5.726498      5.068266
  H       0.745730     -4.274451      6.062574
  H       0.289650     -4.113051      4.353491
  H      -2.680118     -3.153259      6.433821
  H      -1.017348     -3.089024      7.025837
  H      -1.382084     -2.590397      5.356926
  N      -4.598979     -3.592718      5.364270
  N      -5.011336     -2.852367      6.275019
  H      -5.405185     -3.409684      7.057064
86
Coordinates from ORCA-job orca E -5476.176488030371
  N      -3.902353     -3.342723      2.413854
  C      -3.843759     -4.041891      1.130868
  C      -3.082453     -5.353841      1.237359
  N      -3.639289     -6.139599      2.352122
  C      -4.885294     -6.848428      2.003018
  C      -5.761921     -6.853770      3.240038
  N      -5.905234     -5.504184      3.758286
  Mo     -4.115167     -4.565796      3.962455
  N      -2.237910     -5.120453      4.540845
  C      -1.649775     -6.231980      3.791349
  C      -2.669256     -7.025461      3.004030
  H      -1.165691     -6.954337      4.474000
  H      -0.845289     -5.878239      3.116864
  H      -3.237413     -7.677543      3.684467
  H      -2.164052     -7.670774      2.259949
  H      -6.733630     -7.323118      3.017597
  H      -5.300635     -7.511774      4.003328
  H      -5.380661     -6.295656      1.194387
  H      -4.655027     -7.867137      1.640679
  H      -3.345916     -3.422749      0.368770
  H      -4.863940     -4.235552      0.746705
  H      -2.026523     -5.145788      1.458827
  H      -3.133221     -5.930498      0.295303
  C      -1.491091      0.431350      1.040672
  C      -1.439670     -0.401857      2.091702
  C      -0.737207     -0.023111      3.366247
  C      -2.043331     -1.785120      2.045365
  C      -3.575817     -1.898648      2.347740
  C      -4.417532     -1.218225      1.249648
  C      -3.896242     -1.198277      3.661559
  C      -7.337002     -6.403380      6.753176
  C      -8.225538     -5.690772      6.043887
  C      -9.203574     -4.762580      6.713521
  C      -8.310421     -5.805949      4.539167
  C      -7.285443     -4.957641      3.696927
  C      -7.765740     -4.999101      2.229865
  C      -7.331989     -3.498786      4.143185
  C      -3.261895     -5.212077      8.593488
  C      -2.900979     -5.859224      7.474127
  C      -3.858419     -6.745387      6.733717
  C      -1.522204     -5.716311      6.893488
  C      -1.374741     -4.733767      5.689519
  C       0.120047     -4.731532      5.284446
  C      -1.681973     -3.308168      6.140158
  H      -1.058257      1.430868      1.088275
  H      -1.966716      0.138135      0.102409
  H      -1.385780     -0.163362      4.243861
  H      -0.388643      1.016116      3.348374
  H       0.132968     -0.680668      3.526360
  H      -1.544031     -2.428616      2.787504
  H      -1.850222     -2.224262      1.054546
  H      -4.283497     -0.128685      1.290559
  H      -5.480772     -1.439880      1.418661
  H      -4.148785     -1.544332      0.235034
  H      -4.960159     -1.283211      3.909456
  H      -3.326368     -1.605329      4.503998
  H      -3.652075     -0.132193      3.560482
  H      -6.652471     -7.095882      6.260506
  H      -7.262515     -6.309231      7.841939
  H     -10.231868     -5.147614      6.595299
  H      -9.190133     -3.757706      6.250905
  H      -8.996062     -4.653925      7.792190
  H      -8.207854     -6.863940      4.238183
  H      -9.317561     -5.497542      4.215798
  H      -7.786779     -6.022084      1.821315
  H      -7.100750     -4.384211      1.602229
  H      -8.785742     -4.592901      2.155816
  H      -8.325190     -3.075551      3.927419
  H      -7.129627     -3.389217      5.209744
  H      -6.575683     -2.910136      3.595846
  H      -4.267274     -5.313530      9.005087
  H      -2.566647     -4.557143      9.121464
  H      -4.088427     -6.271342      5.759198
  H      -3.409649     -7.723078      6.496173
  H      -4.799743     -6.890717      7.273262
  H      -0.835370     -5.359197      7.675829
  H      -1.150344     -6.707571      6.580822
  H       0.528778     -5.734130      5.108944
  H       0.708509     -4.272381      6.089767
  H       0.265687     -4.127588      4.377071
  H      -2.721251     -3.155310      6.433421
  H      -1.055652     -3.064298      7.009619
  H      -1.433950     -2.599527      5.337420
  N      -4.558107     -3.534369      5.348711
  N      -4.946421     -2.781722      6.268464
  H      -5.363848     -3.324298      7.044007
86
Coordinates from ORCA-job orca E -5476.178106735572
  N      -3.891979     -3.345700      2.398035
  C      -3.807464     -4.049302      1.117339
  C      -3.041717     -5.358060      1.236372
  N      -3.622767     -6.149691      2.337777
  C      -4.867800     -6.854179      1.965800
  C      -5.768927     -6.865297      3.192530
  N      -5.905160     -5.513040      3.722588
  Mo     -4.123374     -4.561743      3.946819
  N      -2.263819     -5.136509      4.566075
  C      -1.660456     -6.240557      3.814003
  C      -2.667384     -7.036577      3.011430
  H      -1.175049     -6.962036      4.496573
  H      -0.850607     -5.878252      3.149172
  H      -3.250652     -7.682701      3.684428
  H      -2.150683     -7.688486      2.279552
  H      -6.740458     -7.321192      2.948721
  H      -5.330513     -7.538783      3.956329
  H      -5.349192     -6.293237      1.153805
  H      -4.633402     -7.870197      1.595655
  H      -3.300692     -3.427627      0.362004
  H      -4.819903     -4.249909      0.714522
  H      -1.990664     -5.150846      1.479338
  H      -3.071834     -5.930009      0.289362
  C      -1.528693      0.454179      1.034746
  C      -1.478886     -0.369001      2.091140
  C      -0.809766      0.033907      3.375466
  C      -2.054670     -1.762484      2.044271
  C      -3.585149     -1.899761      2.330932
  C      -4.423822     -1.246509      1.214838
  C      -3.937713     -1.199263      3.636070
  C      -7.313764     -6.407474      6.735691
  C      -8.189357     -5.668948      6.039120
  C      -9.120362     -4.699606      6.712050
  C      -8.302597     -5.792305      4.544854
  C      -7.284340     -4.961493      3.693134
  C      -7.785941     -4.982756      2.230542
  C      -7.298574     -3.510714      4.156707
  C      -3.254605     -5.240721      8.627164
  C      -2.909880     -5.886793      7.503817
  C      -3.881388     -6.769003      6.779707
  C      -1.535706     -5.750460      6.905801
  C      -1.391024     -4.754459      5.712815
  C       0.096798     -4.777323      5.278400
  C      -1.655722     -3.324917      6.188173
  H      -1.118080      1.461806      1.083927
  H      -1.980775      0.145170      0.090797
  H      -1.474220     -0.104422      4.240886
  H      -0.474609      1.076713      3.352525
  H       0.064427     -0.610656      3.563435
  H      -1.550472     -2.393129      2.793605
  H      -1.845300     -2.203597      1.058041
  H      -4.301139     -0.155751      1.237154
  H      -5.485263     -1.475637      1.378672
  H      -4.143360     -1.587888      0.208987
  H      -4.999386     -1.317530      3.875729
  H      -3.362262     -1.580333      4.487589
  H      -3.728056     -0.126423      3.528303
  H      -6.662528     -7.124695      6.239311
  H      -7.213606     -6.306551      7.818092
  H     -10.165714     -5.036119      6.608396
  H      -9.074087     -3.704383      6.248350
  H      -8.893053     -4.595216      7.780207
  H      -8.223157     -6.847357      4.249361
  H      -9.310363     -5.470955      4.234188
  H      -7.831272     -5.998246      1.815334
  H      -7.119008     -4.378844      1.601565
  H      -8.797419     -4.558606      2.168505
  H      -8.300359     -3.081184      3.993700
  H      -7.035628     -3.410271      5.217496
  H      -6.572785     -2.924970      3.579623
  H      -4.257590     -5.335565      9.048255
  H      -2.550755     -4.589877      9.146187
  H      -4.116477     -6.308178      5.797709
  H      -3.443672     -7.754965      6.554340
  H      -4.818153     -6.897672      7.328826
  H      -0.834328     -5.412081      7.684342
  H      -1.176878     -6.741223      6.576693
  H       0.481572     -5.786915      5.078562
  H       0.711726     -4.341959      6.080384
  H       0.236151     -4.162408      4.377376
  H      -2.679529     -3.151113      6.538051
  H      -0.979038     -3.095232      7.029968
  H      -1.433425     -2.616002      5.378782
  N      -4.554706     -3.501483      5.329021
  N      -4.934975     -2.736523      6.254432
  H      -5.376243     -3.261303      7.022296
86
Coordinates from ORCA-job orca E -5476.178626434543
  N      -3.874856     -3.340502      2.424930
  C      -3.773804     -4.043552      1.141998
  C      -3.015457     -5.353302      1.274707
  N      -3.613340     -6.149637      2.365279
  C      -4.856494     -6.850438      1.976202
  C      -5.775849     -6.873255      3.192935
  N      -5.909813     -5.518667      3.729491
  Mo     -4.104899     -4.584623      3.948155
  N      -2.262077     -5.162895      4.585414
  C      -1.643889     -6.251826      3.826120
  C      -2.660091     -7.047035      3.034020
  H      -1.139740     -6.972771      4.495554
  H      -0.847657     -5.877626      3.150764
  H      -3.238075     -7.687192      3.715695
  H      -2.149735     -7.705543      2.302682
  H      -6.739959     -7.321620      2.915236
  H      -5.355095     -7.559419      3.955379
  H      -5.337591     -6.280516      1.170108
  H      -4.625750     -7.863926      1.593418
  H      -3.250661     -3.434252      0.387959
  H      -4.782726     -4.244061      0.725718
  H      -1.969479     -5.143837      1.537266
  H      -3.028673     -5.917182      0.321516
  C      -1.523887      0.459493      0.979695
  C      -1.480324     -0.344670      2.055226
  C      -0.813395      0.088943      3.331864
  C      -2.053098     -1.745248      2.037165
  C      -3.585485     -1.886865      2.332610
  C      -4.433211     -1.251466      1.212046
  C      -3.937841     -1.157713      3.627635
  C      -7.327681     -6.433677      6.752970
  C      -8.184623     -5.660655      6.056428
  C      -9.087078     -4.666889      6.744136
  C      -8.314006     -5.776961      4.554166
  C      -7.287629     -4.963388      3.696739
  C      -7.803094     -4.963346      2.227003
  C      -7.282413     -3.502103      4.151602
  C      -3.268569     -5.293422      8.621409
  C      -2.909844     -5.922799      7.493537
  C      -3.870307     -6.797914      6.745776
  C      -1.527313     -5.777484      6.911750
  C      -1.390555     -4.765951      5.725785
  C       0.096350     -4.764387      5.289257
  C      -1.671186     -3.345032      6.223912
  H      -1.111130      1.472582      1.007222
  H      -1.969493      0.133032      0.037720
  H      -1.487044     -0.018737      4.199460
  H      -0.470070      1.134450      3.277307
  H       0.060535     -0.558374      3.536623
  H      -1.543489     -2.362817      2.793972
  H      -1.851070     -2.203201      1.054490
  H      -4.301071     -0.160189      1.211819
  H      -5.496913     -1.473374      1.391424
  H      -4.164605     -1.618597      0.209848
  H      -4.999196     -1.290740      3.871459
  H      -3.350087     -1.522693      4.477255
  H      -3.744304     -0.081908      3.497306
  H      -6.697440     -7.171387      6.252241
  H      -7.227844     -6.347916      7.842854
  H     -10.141977     -4.975596      6.628148
  H      -9.009602     -3.659190      6.294957
  H      -8.857995     -4.590651      7.821691
  H      -8.249729     -6.838408      4.259460
  H      -9.317411     -5.432238      4.248519
  H      -7.875448     -5.973894      1.798464
  H      -7.128603     -4.366230      1.598484
  H      -8.804036     -4.514780      2.176216
  H      -8.284004     -3.066785      3.999543
  H      -7.000007     -3.384494      5.214437
  H      -6.567665     -2.937206      3.550188
  H      -4.273327     -5.398579      9.039988
  H      -2.570918     -4.650748      9.158161
  H      -4.108784     -6.335924      5.764586
  H      -3.422516     -7.781765      6.531390
  H      -4.803907     -6.941260      7.296355
  H      -0.829918     -5.446087      7.696575
  H      -1.168391     -6.764385      6.568761
  H       0.488260     -5.770025      5.075495
  H       0.708240     -4.332632      6.095983
  H       0.224901     -4.138392      4.392629
  H      -2.691691     -3.212302      6.594604
  H      -0.978354     -3.105471      7.050939
  H      -1.489506     -2.626235      5.411924
  N      -4.610103     -3.523171      5.293359
  N      -5.023127     -2.798195      6.214073
  H      -5.503716     -3.331684      6.955478
86
Coordinates from ORCA-job orca E -5476.181304554659
  N      -3.859214     -3.330321      2.399652
  C      -3.763866     -4.046911      1.124037
  C      -3.021313     -5.366195      1.266375
  N      -3.630213     -6.154037      2.355635
  C      -4.876731     -6.839926      1.971201
  C      -5.790488     -6.850218      3.187668
  N      -5.903885     -5.493684      3.714987
  Mo     -4.104651     -4.557458      3.927497
  N      -2.286296     -5.174137      4.586659
  C      -1.676705     -6.266917      3.825734
  C      -2.696883     -7.055697      3.038188
  H      -1.176714     -6.990787      4.493848
  H      -0.880671     -5.899608      3.149515
  H      -3.289389     -7.678591      3.723160
  H      -2.193328     -7.730192      2.318342
  H      -6.763914     -7.277073      2.907186
  H      -5.387794     -7.543069      3.952435
  H      -5.353053     -6.264437      1.167109
  H      -4.655957     -7.854427      1.588783
  H      -3.235136     -3.449241      0.366403
  H      -4.772983     -4.238535      0.708808
  H      -1.974401     -5.170581      1.531306
  H      -3.037571     -5.931975      0.315612
  C      -1.486583      0.479711      0.997776
  C      -1.453413     -0.338209      2.060360
  C      -0.795287      0.076221      3.347199
  C      -2.033122     -1.735501      2.018689
  C      -3.566025     -1.876980      2.315711
  C      -4.417180     -1.228261      1.207506
  C      -3.913259     -1.168997      3.621394
  C      -7.330968     -6.473539      6.741193
  C      -8.176492     -5.695008      6.051883
  C      -9.076608     -4.708882      6.746376
  C      -8.299792     -5.797895      4.553064
  C      -7.288768     -4.959203      3.702188
  C      -7.795045     -4.979266      2.237440
  C      -7.318301     -3.502458      4.144508
  C      -3.241955     -5.262790      8.640475
  C      -2.900489     -5.909022      7.516107
  C      -3.870093     -6.801862      6.797847
  C      -1.527807     -5.762408      6.911956
  C      -1.408788     -4.761697      5.718195
  C       0.076651     -4.733464      5.279232
  C      -1.714370     -3.345358      6.198864
  H      -1.070703      1.490638      1.043397
  H      -1.926240      0.166610      0.050113
  H      -1.477779     -0.035290      4.204208
  H      -0.441716      1.118344      3.309258
  H       0.069496     -0.579090      3.556173
  H      -1.522408     -2.365254      2.763405
  H      -1.834168     -2.178794      1.031462
  H      -4.272076     -0.140272      1.209641
  H      -5.482119     -1.437758      1.396229
  H      -4.163109     -1.593994      0.203413
  H      -4.970631     -1.320085      3.877163
  H      -3.314345     -1.533023      4.458747
  H      -3.734558     -0.091098      3.502614
  H      -6.698541     -7.205461      6.240224
  H      -7.236460     -6.392920      7.825989
  H     -10.132308     -5.002221      6.613561
  H      -8.981600     -3.698119      6.319771
  H      -8.862504     -4.654875      7.823570
  H      -8.224077     -6.852323      4.247392
  H      -9.308338     -5.467122      4.255071
  H      -7.845019     -5.992270      1.817472
  H      -7.125052     -4.374725      1.611811
  H      -8.806010     -4.551644      2.178017
  H      -8.337615     -3.110573      4.020485
  H      -7.015974     -3.366597      5.185773
  H      -6.640430     -2.907223      3.520317
  H      -4.239564     -5.360945      9.074111
  H      -2.536305     -4.607805      9.154878
  H      -4.119792     -6.363020      5.812159
  H      -3.424785     -7.790803      6.600521
  H      -4.799061     -6.932068      7.360823
  H      -0.822321     -5.421734      7.685351
  H      -1.166698     -6.749625      6.574836
  H       0.488611     -5.727745      5.070152
  H       0.678719     -4.288583      6.081928
  H       0.193484     -4.107623      4.381952
  H      -2.721406     -3.231590      6.598722
  H      -1.007068     -3.078848      6.998680
  H      -1.574089     -2.633947      5.372072
  N      -4.566162     -3.506472      5.290623
  N      -4.954324     -2.780967      6.228498
  H      -5.459563     -3.315614      6.953983
86
Coordinates from ORCA-job orca E -5476.182528124809
  N      -3.829462     -3.335321      2.395780
  C      -3.731380     -4.056820      1.120268
  C      -3.003541     -5.383681      1.270229
  N      -3.626779     -6.164985      2.357247
  C      -4.877789     -6.837541      1.964268
  C      -5.798570     -6.842437      3.174797
  N      -5.900241     -5.484154      3.706423
  Mo     -4.091569     -4.560635      3.923549
  N      -2.292683     -5.210346      4.600190
  C      -1.684222     -6.303533      3.836733
  C      -2.708826     -7.081208      3.044070
  H      -1.186458     -7.031410      4.503240
  H      -0.886448     -5.936067      3.162098
  H      -3.314561     -7.693109      3.728367
  H      -2.213031     -7.764917      2.328058
  H      -6.774777     -7.253256      2.879903
  H      -5.414407     -7.544696      3.940000
  H      -5.346119     -6.252177      1.162417
  H      -4.664635     -7.851393      1.577207
  H      -3.191533     -3.467742      0.363384
  H      -4.739570     -4.238347      0.700120
  H      -1.956734     -5.197744      1.541831
  H      -3.018133     -5.950169      0.320263
  C      -1.511889      0.502159      0.995521
  C      -1.485647     -0.299480      2.071394
  C      -0.877851      0.148682      3.372657
  C      -2.027031     -1.708279      2.032901
  C      -3.560620     -1.879011      2.299382
  C      -4.399913     -1.261976      1.163402
  C      -3.950961     -1.164979      3.589077
  C      -7.322493     -6.460323      6.731524
  C      -8.162825     -5.675213      6.048266
  C      -9.049513     -4.681050      6.747295
  C      -8.290122     -5.779731      4.551554
  C      -7.281526     -4.941755      3.699538
  C      -7.799296     -4.948215      2.237288
  C      -7.303043     -3.484672      4.148472
  C      -3.212576     -5.283517      8.661521
  C      -2.883643     -5.933881      7.535474
  C      -3.863538     -6.827874      6.831805
  C      -1.516227     -5.794097      6.918439
  C      -1.406223     -4.793748      5.723868
  C       0.075334     -4.763733      5.271673
  C      -1.717285     -3.379937      6.207808
  H      -1.127062      1.522057      1.038173
  H      -1.917456      0.165332      0.039477
  H      -1.580311      0.032675      4.210548
  H      -0.552341      1.194788      3.329113
  H      -0.004311     -0.478180      3.618027
  H      -1.516657     -2.318367      2.795558
  H      -1.797112     -2.154783      1.054056
  H      -4.263178     -0.173033      1.142356
  H      -5.463551     -1.474877      1.340322
  H      -4.128651     -1.648922      0.171991
  H      -5.006179     -1.342055      3.826042
  H      -3.357155     -1.502824      4.445437
  H      -3.801403     -0.084770      3.459021
  H      -6.697895     -7.196544      6.226858
  H      -7.222058     -6.380996      7.814934
  H     -10.108746     -4.954635      6.610784
  H      -8.936368     -3.670576      6.330686
  H      -8.838819     -4.639530      7.823240
  H      -8.213213     -6.833500      4.248528
  H      -9.299585     -5.451160      4.256521
  H      -7.863909     -5.957597      1.809870
  H      -7.127237     -4.346316      1.610822
  H      -8.806085     -4.508742      2.188038
  H      -8.325932     -3.095060      4.050228
  H      -6.977845     -3.349421      5.182948
  H      -6.642971     -2.882151      3.511371
  H      -4.206560     -5.375882      9.103933
  H      -2.499461     -4.630704      9.168987
  H      -4.121936     -6.400833      5.844353
  H      -3.423534     -7.820983      6.641827
  H      -4.786637     -6.950472      7.407130
  H      -0.801414     -5.457295      7.685214
  H      -1.164629     -6.783077      6.577361
  H       0.484473     -5.757218      5.050098
  H       0.686244     -4.325778      6.072121
  H       0.183556     -4.131395      4.378107
  H      -2.712471     -3.279054      6.642908
  H      -0.985881     -3.099788      6.979725
  H      -1.618998     -2.671092      5.373457
  N      -4.533002     -3.494898      5.283711
  N      -4.901188     -2.770259      6.233753
  H      -5.477623     -3.291177      6.915734
86
Coordinates from ORCA-job orca E -5476.183736198363
  N      -3.823527     -3.325442      2.400828
  C      -3.715683     -4.046426      1.121324
  C      -2.995126     -5.377879      1.277392
  N      -3.626779     -6.157658      2.362303
  C      -4.875966     -6.828346      1.956294
  C      -5.805200     -6.840458      3.160022
  N      -5.911356     -5.482026      3.697710
  Mo     -4.097133     -4.554206      3.925793
  N      -2.315174     -5.225752      4.621134
  C      -1.695913     -6.312947      3.853465
  C      -2.716557     -7.085819      3.048406
  H      -1.194995     -7.040695      4.518337
  H      -0.898116     -5.935093      3.183771
  H      -3.331732     -7.693634      3.727957
  H      -2.223869     -7.771075      2.332028
  H      -6.778600     -7.245052      2.847322
  H      -5.433978     -7.547782      3.925809
  H      -5.341047     -6.234763      1.158837
  H      -4.659288     -7.838428      1.561449
  H      -3.159819     -3.462223      0.371461
  H      -4.720569     -4.217175      0.689879
  H      -1.949910     -5.193762      1.556708
  H      -3.003041     -5.945481      0.328113
  C      -1.499903      0.496624      0.967565
  C      -1.482120     -0.289050      2.054549
  C      -0.878188      0.178995      3.350559
  C      -2.025341     -1.699386      2.029798
  C      -3.561106     -1.869403      2.297762
  C      -4.396403     -1.258367      1.158431
  C      -3.957131     -1.156295      3.587205
  C      -7.296718     -6.459312      6.710897
  C      -8.144438     -5.670459      6.042630
  C      -9.015865     -4.671931      6.757039
  C      -8.289054     -5.779144      4.547380
  C      -7.289866     -4.941158      3.684282
  C      -7.818224     -4.954218      2.226706
  C      -7.314433     -3.479930      4.123310
  C      -3.189014     -5.321285      8.694829
  C      -2.868886     -5.962107      7.561090
  C      -3.852982     -6.861495      6.870319
  C      -1.509826     -5.811341      6.927859
  C      -1.421042     -4.801698      5.737955
  C       0.053149     -4.756192      5.268027
  C      -1.746545     -3.396489      6.238166
  H      -1.112682      1.517268      0.996507
  H      -1.901093      0.144888      0.014963
  H      -1.587542      0.085811      4.185776
  H      -0.543044      1.222880      3.289565
  H      -0.011499     -0.449568      3.612278
  H      -1.514508     -2.304074      2.796014
  H      -1.795316     -2.154096      1.053792
  H      -4.244296     -0.172330      1.123953
  H      -5.462248     -1.454715      1.340976
  H      -4.134310     -1.661286      0.171560
  H      -5.011675     -1.342136      3.824450
  H      -3.364322     -1.488600      4.444614
  H      -3.815662     -0.075927      3.456267
  H      -6.680793     -7.196850      6.194233
  H      -7.178615     -6.382067      7.793293
  H     -10.078537     -4.926529      6.623713
  H      -8.888541     -3.658566      6.354022
  H      -8.802300     -4.647568      7.831821
  H      -8.204975     -6.833622      4.249535
  H      -9.303965     -5.458960      4.261962
  H      -7.891547     -5.964837      1.803345
  H      -7.147681     -4.357709      1.592414
  H      -8.823706     -4.509841      2.184550
  H      -8.339799     -3.099661      4.039695
  H      -6.977444     -3.333511      5.149829
  H      -6.669195     -2.872138      3.475165
  H      -4.177172     -5.422476      9.147584
  H      -2.474236     -4.668389      9.199091
  H      -4.128060     -6.445885      5.884011
  H      -3.409204     -7.853083      6.680940
  H      -4.766454     -6.989442      7.460123
  H      -0.786912     -5.477299      7.687986
  H      -1.160565     -6.796858      6.575369
  H       0.465413     -5.744398      5.025946
  H       0.672676     -4.326152      6.066699
  H       0.144853     -4.111159      4.381757
  H      -2.723775     -3.321957      6.718617
  H      -0.986310     -3.099831      6.974789
  H      -1.710797     -2.683920      5.402701
  N      -4.537236     -3.473452      5.276397
  N      -4.886499     -2.755296      6.241803
  H      -5.526561     -3.252306      6.881864
86
Coordinates from ORCA-job orca E -5476.184862160195
  N      -3.810483     -3.325388      2.393270
  C      -3.690841     -4.048776      1.112975
  C      -2.983875     -5.386622      1.279356
  N      -3.629124     -6.158278      2.362979
  C      -4.879815     -6.821683      1.945969
  C      -5.812326     -6.836640      3.145441
  N      -5.918027     -5.480524      3.688473
  Mo     -4.099489     -4.552148      3.919984
  N      -2.333117     -5.245529      4.629463
  C      -1.710825     -6.333696      3.862809
  C      -2.729706     -7.099228      3.049640
  H      -1.212995     -7.060967      4.530247
  H      -0.911411     -5.953452      3.196912
  H      -3.354850     -7.701266      3.725433
  H      -2.241439     -7.786596      2.332907
  H      -6.786383     -7.234932      2.824173
  H      -5.448255     -7.547509      3.911228
  H      -5.340436     -6.219603      1.151956
  H      -4.664214     -7.829846      1.546095
  H      -3.116060     -3.471755      0.371520
  H      -4.692120     -4.206370      0.668691
  H      -1.939296     -5.207082      1.567202
  H      -2.986776     -5.958983      0.332994
  C      -1.483295      0.496487      0.963655
  C      -1.490659     -0.272024      2.064148
  C      -0.932361      0.221337      3.371569
  C      -2.019996     -1.686102      2.043469
  C      -3.559482     -1.867435      2.282175
  C      -4.376369     -1.267617      1.124150
  C      -3.984494     -1.148986      3.559584
  C      -7.274650     -6.450894      6.711711
  C      -8.118218     -5.650230      6.049197
  C      -8.959537     -4.632252      6.768287
  C      -8.284214     -5.763895      4.555378
  C      -7.292216     -4.932910      3.675034
  C      -7.836027     -4.950419      2.224493
  C      -7.313148     -3.468722      4.107189
  C      -3.159158     -5.363525      8.721437
  C      -2.846782     -5.995880      7.580337
  C      -3.829911     -6.907095      6.902775
  C      -1.498077     -5.827540      6.930422
  C      -1.431836     -4.813767      5.740602
  C       0.036928     -4.747769      5.261276
  C      -1.775682     -3.416157      6.249043
  H      -1.107397      1.520313      0.986828
  H      -1.852866      0.125492      0.005158
  H      -1.668347      0.139711      4.184681
  H      -0.601691      1.264928      3.301902
  H      -0.070672     -0.396371      3.674443
  H      -1.520089     -2.279671      2.826347
  H      -1.764944     -2.146303      1.076457
  H      -4.217741     -0.183363      1.079236
  H      -5.445341     -1.454914      1.292707
  H      -4.103202     -1.682991      0.146236
  H      -5.040685     -1.342775      3.779675
  H      -3.404644     -1.470044      4.431930
  H      -3.851525     -0.067679      3.423514
  H      -6.679923     -7.202291      6.194403
  H      -7.141003     -6.370044      7.791861
  H     -10.031305     -4.852416      6.633811
  H      -8.800011     -3.619833      6.373837
  H      -8.744674     -4.623700      7.843450
  H      -8.202276     -6.820022      4.261677
  H      -9.302942     -5.444003      4.282006
  H      -7.923909     -5.962833      1.807272
  H      -7.167413     -4.363436      1.578631
  H      -8.837454     -4.496385      2.193020
  H      -8.341861     -3.088957      4.042409
  H      -6.959164     -3.318780      5.128771
  H      -6.680367     -2.860281      3.446522
  H      -4.139655     -5.479242      9.187244
  H      -2.445464     -4.704310      9.219625
  H      -4.122943     -6.501777      5.919449
  H      -3.377107     -7.894411      6.710844
  H      -4.734185     -7.045938      7.505245
  H      -0.770168     -5.487566      7.682945
  H      -1.144100     -6.809296      6.572330
  H       0.459044     -5.728975      5.008970
  H       0.657271     -4.316863      6.058561
  H       0.115558     -4.095256      4.378920
  H      -2.738751     -3.367888      6.760225
  H      -0.998643     -3.100118      6.958452
  H      -1.792046     -2.701949      5.414702
  N      -4.551275     -3.469641      5.263654
  N      -4.889772     -2.768451      6.242152
  H      -5.598720     -3.240813      6.826916
86
Coordinates from ORCA-job orca E -5476.185917584532
  N      -3.806431     -3.321954      2.386376
  C      -3.674974     -4.043942      1.104874
  C      -2.982440     -5.388009      1.279434
  N      -3.638707     -6.149703      2.363969
  C      -4.891080     -6.808618      1.938748
  C      -5.821453     -6.829284      3.138581
  N      -5.931191     -5.477017      3.685171
  Mo     -4.112984     -4.542578      3.919529
  N      -2.355992     -5.254211      4.634708
  C      -1.731341     -6.343282      3.869341
  C      -2.745917     -7.101961      3.047268
  H      -1.238096     -7.068964      4.540548
  H      -0.930166     -5.959449      3.208874
  H      -3.377311     -7.704540      3.716308
  H      -2.259130     -7.784667      2.325920
  H      -6.796221     -7.229789      2.820711
  H      -5.452206     -7.538338      3.903796
  H      -5.349437     -6.199909      1.148306
  H      -4.674734     -7.814980      1.534927
  H      -3.079687     -3.471253      0.376395
  H      -4.671816     -4.185635      0.645727
  H      -1.938032     -5.212586      1.572892
  H      -2.983155     -5.967008      0.337319
  C      -1.452720      0.485318      0.961096
  C      -1.481044     -0.267315      2.071625
  C      -0.942527      0.242883      3.380410
  C      -2.012726     -1.680456      2.057357
  C      -3.556228     -1.862544      2.273177
  C      -4.354673     -1.263136      1.102909
  C      -3.998122     -1.138362      3.541658
  C      -7.242182     -6.425183      6.708509
  C      -8.104301     -5.636439      6.054614
  C      -8.949487     -4.629480      6.784988
  C      -8.285971     -5.756208      4.561093
  C      -7.302375     -4.925896      3.662253
  C      -7.853877     -4.960962      2.216456
  C      -7.327129     -3.457340      4.079219
  C      -3.125792     -5.402153      8.751433
  C      -2.819248     -6.026488      7.603756
  C      -3.792093     -6.962562      6.944583
  C      -1.485629     -5.829102      6.932698
  C      -1.445782     -4.815698      5.739252
  C       0.017813     -4.737660      5.248406
  C      -1.799481     -3.420769      6.250615
  H      -1.073137      1.508301      0.975183
  H      -1.807980      0.099892      0.003044
  H      -1.693018      0.178658      4.181000
  H      -0.603874      1.283645      3.301013
  H      -0.090668     -0.374354      3.708383
  H      -1.526342     -2.267793      2.853030
  H      -1.742323     -2.148252      1.098312
  H      -4.182445     -0.180696      1.053633
  H      -5.428567     -1.435803      1.259299
  H      -4.075686     -1.686792      0.129767
  H      -5.057524     -1.330458      3.748195
  H      -3.431461     -1.455107      4.424760
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  H      -6.642448     -7.170288      6.185173
  H      -7.098173     -6.341512      7.788066
  H     -10.020593     -4.849960      6.652206
  H      -8.790278     -3.611663      6.401468
  H      -8.735695     -4.631801      7.861402
  H      -8.193502     -6.813930      4.271211
  H      -9.310862     -5.449081      4.296964
  H      -7.950077     -5.979043      1.812934
  H      -7.187469     -4.385592      1.556901
  H      -8.852565     -4.502428      2.188132
  H      -8.356410     -3.078163      4.014568
  H      -6.972502     -3.300808      5.099828
  H      -6.694947     -2.853922      3.414308
  H      -4.094685     -5.543234      9.234691
  H      -2.419578     -4.725725      9.238019
  H      -4.109447     -6.567495      5.966027
  H      -3.320133     -7.939730      6.745549
  H      -4.684260     -7.122307      7.560812
  H      -0.754788     -5.473329      7.674969
  H      -1.117848     -6.805360      6.573284
  H       0.445668     -5.715223      4.990284
  H       0.641886     -4.304213      6.042014
  H       0.086585     -4.082273      4.366952
  H      -2.755958     -3.386852      6.777083
  H      -1.013925     -3.090637      6.943938
  H      -1.846792     -2.705195      5.419222
  N      -4.579799     -3.461914      5.260539
  N      -4.906206     -2.781494      6.254034
  H      -5.686352     -3.215704      6.776789
86
Coordinates from ORCA-job orca E -5476.186751173610
  N      -3.808021     -3.322772      2.380012
  C      -3.665307     -4.039075      1.097302
  C      -2.982750     -5.386812      1.275304
  N      -3.647554     -6.143433      2.358339
  C      -4.901036     -6.799580      1.927154
  C      -5.829080     -6.828771      3.129589
  N      -5.941919     -5.479730      3.681615
  Mo     -4.129632     -4.537312      3.918209
  N      -2.377611     -5.259550      4.636651
  C      -1.748695     -6.346318      3.870667
  C      -2.757870     -7.101133      3.040019
  H      -1.259144     -7.072036      4.543596
  H      -0.945360     -5.957787      3.216266
  H      -3.391580     -7.709468      3.701026
  H      -2.266656     -7.776396      2.314676
  H      -6.803507     -7.234375      2.819444
  H      -5.450055     -7.537203      3.890999
  H      -5.357909     -6.185627      1.140104
  H      -4.683878     -7.803845      1.517994
  H      -3.055284     -3.465512      0.382053
  H      -4.656941     -4.170297      0.623577
  H      -1.939163     -5.215412      1.573483
  H      -2.981642     -5.968169      0.334707
  C      -1.415552      0.468680      0.962232
  C      -1.469973     -0.270890      2.081407
  C      -0.951941      0.251156      3.393407
  C      -2.009086     -1.682331      2.072736
  C      -3.555278     -1.861652      2.271878
  C      -4.341480     -1.258110      1.095435
  C      -4.005859     -1.135224      3.535550
  C      -7.216559     -6.406888      6.708444
  C      -8.087451     -5.621440      6.057013
  C      -8.915837     -4.601260      6.785876
  C      -8.291467     -5.751521      4.568094
  C      -7.314387     -4.929120      3.654583
  C      -7.872631     -4.979252      2.211616
  C      -7.343276     -3.458525      4.060979
  C      -3.100550     -5.431465      8.769988
  C      -2.795680     -6.052721      7.620143
  C      -3.751933     -7.017624      6.978519
  C      -1.476421     -5.824927      6.930404
  C      -1.463930     -4.811937      5.736245
  C      -0.004386     -4.712068      5.237745
  C      -1.832928     -3.423591      6.252454
  H      -1.028254      1.489936      0.970586
  H      -1.755038      0.072870      0.002858
  H      -1.720698      0.207416      4.179972
  H      -0.597883      1.288004      3.306212
  H      -0.114094     -0.373493      3.748203
  H      -1.535209     -2.265177      2.878732
  H      -1.729073     -2.159282      1.120553
  H      -4.160369     -0.176684      1.047055
  H      -5.419017     -1.422016      1.242963
  H      -4.058421     -1.683692      0.123736
  H      -5.067974     -1.325641      3.733477
  H      -3.446481     -1.450814      4.422360
  H      -3.868236     -0.053313      3.399143
  H      -6.626863     -7.160801      6.187588
  H      -7.056408     -6.311154      7.784504
  H      -9.992304     -4.805443      6.656880
  H      -8.743828     -3.585945      6.399550
  H      -8.696350     -4.604158      7.861794
  H      -8.201582     -6.810637      4.282766
  H      -9.319255     -5.445443      4.312812
  H      -7.975311     -6.001567      1.820931
  H      -7.208689     -4.414789      1.540577
  H      -8.869421     -4.517207      2.183824
  H      -8.373752     -3.081460      3.993684
  H      -6.990322     -3.297939      5.082529
  H      -6.710647     -2.859822      3.392724
  H      -4.057613     -5.597551      9.269316
  H      -2.405987     -4.732889      9.242028
  H      -4.091548     -6.631583      6.004010
  H      -3.257777     -7.982890      6.775277
  H      -4.632751     -7.198288      7.605640
  H      -0.745210     -5.450960      7.663446
  H      -1.089467     -6.793627      6.569656
  H       0.436465     -5.682656      4.976325
  H       0.616574     -4.271922      6.029588
  H       0.053340     -4.053571      4.357255
  H      -2.787955     -3.404439      6.780849
  H      -1.049344     -3.082900      6.943447
  H      -1.894229     -2.705105      5.423916
  N      -4.602610     -3.460216      5.261638
  N      -4.919156     -2.795054      6.267244
  H      -5.763501     -3.178188      6.729493
86
Coordinates from ORCA-job orca E -5476.187465427175
  N      -3.802770     -3.325746      2.374169
  C      -3.654107     -4.038242      1.092039
  C      -2.984554     -5.390622      1.274173
  N      -3.658362     -6.138820      2.356884
  C      -4.914453     -6.789395      1.924223
  C      -5.838420     -6.821076      3.130686
  N      -5.949663     -5.472020      3.681807
  Mo     -4.142819     -4.529909      3.919307
  N      -2.395167     -5.264602      4.640219
  C      -1.767061     -6.351965      3.875618
  C      -2.774928     -7.101116      3.040394
  H      -1.283419     -7.080406      4.550170
  H      -0.959868     -5.964559      3.225657
  H      -3.411072     -7.713001      3.695638
  H      -2.279667     -7.772604      2.313898
  H      -6.813396     -7.231952      2.831738
  H      -5.448924     -7.527092      3.889229
  H      -5.369402     -6.171456      1.139255
  H      -4.701246     -7.793296      1.511871
  H      -3.032556     -3.466389      0.385879
  H      -4.641301     -4.160343      0.606245
  H      -1.940738     -5.227606      1.574905
  H      -2.985740     -5.973954      0.334872
  C      -1.399527      0.466343      0.975539
  C      -1.461367     -0.271211      2.094240
  C      -0.953742      0.252937      3.409153
  C      -2.000669     -1.682238      2.083504
  C      -3.548034     -1.862623      2.268500
  C      -4.325282     -1.258828      1.085074
  C      -4.008348     -1.131387      3.525430
  C      -7.187922     -6.372418      6.702254
  C      -8.083339     -5.611776      6.055552
  C      -8.930333     -4.608571      6.790178
  C      -8.296467     -5.749164      4.568934
  C      -7.325281     -4.925358      3.649242
  C      -7.882888     -4.990810      2.205958
  C      -7.362507     -3.452090      4.043351
  C      -3.069714     -5.446872      8.782033
  C      -2.770217     -6.072062      7.632900
  C      -3.714298     -7.061814      7.010812
  C      -1.463681     -5.825631      6.924245
  C      -1.474082     -4.811795      5.731672
  C      -0.018644     -4.701920      5.218597
  C      -1.841823     -3.427285      6.258271
  H      -1.012588      1.487452      0.986224
  H      -1.732999      0.069239      0.014859
  H      -1.727689      0.210025      4.188638
  H      -0.598948      1.288690      3.324420
  H      -0.120302     -0.370757      3.771461
  H      -1.534017     -2.262338      2.895241
  H      -1.713635     -2.162082      1.135477
  H      -4.141916     -0.177436      1.036505
  H      -5.404644     -1.420887      1.224716
  H      -4.036039     -1.685523      0.115276
  H      -5.072107     -1.322705      3.715046
  H      -3.453012     -1.442105      4.416105
  H      -3.871624     -0.049563      3.386270
  H      -6.582853     -7.114946      6.179284
  H      -7.021152     -6.266735      7.776580
  H     -10.002060     -4.833552      6.663620
  H      -8.779588     -3.588635      6.404691
  H      -8.708836     -4.607800      7.866252
  H      -8.200650     -6.808757      4.284959
  H      -9.327030     -5.450816      4.316507
  H      -7.984684     -6.017238      1.826063
  H      -7.220670     -4.432258      1.527947
  H      -8.880642     -4.530282      2.173970
  H      -8.394854     -3.081034      3.967075
  H      -7.016948     -3.284343      5.065899
  H      -6.727656     -2.857968      3.372215
  H      -4.015471     -5.628055      9.297959
  H      -2.383205     -4.729154      9.236618
  H      -4.074282     -6.684371      6.040102
  H      -3.203522     -8.018241      6.806727
  H      -4.583963     -7.255477      7.650687
  H      -0.728495     -5.439559      7.647603
  H      -1.064800     -6.788647      6.560269
  H       0.425998     -5.669691      4.951605
  H       0.606339     -4.259762      6.006608
  H       0.028826     -4.041067      4.338959
  H      -2.795589     -3.413373      6.791981
  H      -1.054941     -3.086320      6.948525
  H      -1.906049     -2.704816      5.432462
  N      -4.616333     -3.446602      5.259240
  N      -4.924823     -2.789907      6.271428
  H      -5.828202     -3.103269      6.672279
86
Coordinates from ORCA-job orca E -5476.188043676787
  N      -3.801716     -3.329600      2.375865
  C      -3.651659     -4.035425      1.091296
  C      -2.988476     -5.390928      1.270444
  N      -3.664281     -6.136659      2.352953
  C      -4.921299     -6.785696      1.920593
  C      -5.842727     -6.821128      3.129934
  N      -5.954752     -5.470541      3.681841
  Mo     -4.153446     -4.529798      3.923269
  N      -2.406625     -5.269679      4.645061
  C      -1.775914     -6.353312      3.877565
  C      -2.781831     -7.100040      3.036344
  H      -1.293515     -7.085613      4.549229
  H      -0.967175     -5.963303      3.231149
  H      -3.416822     -7.718659      3.685901
  H      -2.280848     -7.766168      2.308452
  H      -6.816639     -7.237816      2.837655
  H      -5.444767     -7.525371      3.885473
  H      -5.376728     -6.165252      1.138048
  H      -4.710539     -7.788519      1.503942
  H      -3.025879     -3.462333      0.389891
  H      -4.636212     -4.152791      0.598589
  H      -1.943571     -5.234930      1.569998
  H      -2.994196     -5.972359      0.329966
  C      -1.385926      0.456115      0.977748
  C      -1.454873     -0.276991      2.099677
  C      -0.950427      0.251287      3.414516
  C      -1.996443     -1.687897      2.093933
  C      -3.544794     -1.865413      2.273237
  C      -4.317110     -1.261023      1.085936
  C      -4.009866     -1.131649      3.526980
  C      -7.170702     -6.340250      6.700367
  C      -8.082949     -5.601285      6.053447
  C      -8.942611     -4.605836      6.785079
  C      -8.301339     -5.748545      4.569401
  C      -7.333097     -4.926901      3.647032
  C      -7.891850     -4.995360      2.202996
  C      -7.368939     -3.451504      4.037024
  C      -3.049107     -5.466629      8.787737
  C      -2.747967     -6.092924      7.640203
  C      -3.678231     -7.102103      7.029958
  C      -1.450710     -5.827630      6.919952
  C      -1.483693     -4.809652      5.730907
  C      -0.032916     -4.678261      5.207264
  C      -1.864454     -3.433811      6.268124
  H      -0.996015      1.476709      0.986339
  H      -1.715935      0.056387      0.016616
  H      -1.728878      0.216903      4.191286
  H      -0.588636      1.285125      3.326092
  H      -0.122381     -0.377015      3.783436
  H      -1.533571     -2.264026      2.910995
  H      -1.706872     -2.174404      1.149556
  H      -4.134644     -0.179381      1.037943
  H      -5.396661     -1.424816      1.221706
  H      -4.023747     -1.687263      0.117149
  H      -5.074578     -1.322525      3.711675
  H      -3.456211     -1.440302      4.419236
  H      -3.872827     -0.050454      3.385542
  H      -6.557285     -7.077617      6.180335
  H      -6.998280     -6.221337      7.772197
  H     -10.010552     -4.849220      6.663580
  H      -8.811703     -3.587373      6.390557
  H      -8.716094     -4.591830      7.859059
  H      -8.206038     -6.808716      4.289273
  H      -9.332078     -5.451826      4.316689
  H      -7.997163     -6.022496      1.826843
  H      -7.229608     -4.440743      1.522071
  H      -8.888297     -4.531759      2.169614
  H      -8.400298     -3.079759      3.952444
  H      -7.029351     -3.282003      5.061974
  H      -6.729457     -2.862548      3.366303
  H      -3.987541     -5.660400      9.312274
  H      -2.372202     -4.734260      9.232070
  H      -4.054560     -6.730340      6.063370
  H      -3.151859     -8.049337      6.824711
  H      -4.537999     -7.308494      7.679249
  H      -0.715032     -5.432417      7.637753
  H      -1.039502     -6.783454      6.551471
  H       0.422797     -5.639176      4.935023
  H       0.590482     -4.230237      5.992704
  H      -0.000010     -4.014642      4.329186
  H      -2.819522     -3.432470      6.796614
  H      -1.085589     -3.093252      6.966145
  H      -1.926247     -2.705907      5.446565
  N      -4.620608     -3.436101      5.259387
  N      -4.920264     -2.777627      6.274648
  H      -5.871010     -3.008825      6.618015
86
Coordinates from ORCA-job orca E -5476.188504724157
  N      -3.794690     -3.333512      2.378612
  C      -3.645897     -4.037878      1.093586
  C      -2.990192     -5.397245      1.271840
  N      -3.668621     -6.138229      2.354877
  C      -4.926483     -6.784384      1.924908
  C      -5.846354     -6.816369      3.134940
  N      -5.957283     -5.462032      3.680017
  Mo     -4.158483     -4.529157      3.927213
  N      -2.414852     -5.275548      4.653892
  C      -1.784561     -6.357696      3.886032
  C      -2.790290     -7.101882      3.041802
  H      -1.303887     -7.094122      4.555274
  H      -0.973839     -5.968919      3.241128
  H      -3.426223     -7.722179      3.688822
  H      -2.285534     -7.768161      2.316304
  H      -6.820021     -7.235656      2.845469
  H      -5.446075     -7.516683      3.892468
  H      -5.381793     -6.163310      1.142580
  H      -4.720464     -7.787903      1.507470
  H      -3.017916     -3.467579      0.391695
  H      -4.629373     -4.152281      0.597545
  H      -1.943331     -5.250012      1.569294
  H      -3.002134     -5.977380      0.330493
  C      -1.397602      0.462817      0.985171
  C      -1.459156     -0.274349      2.104426
  C      -0.955674      0.252635      3.420625
  C      -1.992899     -1.687326      2.097217
  C      -3.540399     -1.868448      2.274150
  C      -4.312708     -1.266510      1.084770
  C      -4.009551     -1.134076      3.525867
  C      -7.152919     -6.328308      6.689876
  C      -8.076159     -5.596560      6.047902
  C      -8.937246     -4.603693      6.782561
  C      -8.303991     -5.742747      4.564330
  C      -7.338065     -4.923506      3.641645
  C      -7.894418     -4.997232      2.197596
  C      -7.377009     -3.446566      4.025720
  C      -3.035052     -5.479227      8.789432
  C      -2.732375     -6.109560      7.644714
  C      -3.655639     -7.129808      7.042257
  C      -1.440030     -5.836523      6.918115
  C      -1.488494     -4.812473      5.733994
  C      -0.042162     -4.671269      5.198370
  C      -1.872041     -3.442195      6.283337
  H      -1.014642      1.485216      0.997610
  H      -1.727701      0.066041      0.022653
  H      -1.731708      0.210646      4.198324
  H      -0.600984      1.287888      3.335438
  H      -0.123779     -0.371353      3.785186
  H      -1.527872     -2.260254      2.915373
  H      -1.700907     -2.173319      1.153711
  H      -4.136992     -0.184092      1.037908
  H      -5.390833     -1.437903      1.218879
  H      -4.015031     -1.690144      0.116623
  H      -5.073670     -1.327986      3.708224
  H      -3.454658     -1.439265      4.418815
  H      -3.875976     -0.053279      3.381017
  H      -6.539818     -7.063336      6.166342
  H      -6.971195     -6.204933      7.760427
  H     -10.004361     -4.857348      6.666622
  H      -8.819344     -3.585017      6.381869
  H      -8.701314     -4.583103      7.855077
  H      -8.217109     -6.803214      4.282193
  H      -9.333713     -5.438256      4.315322
  H      -7.998401     -6.025432      1.825430
  H      -7.231613     -4.444312      1.516326
  H      -8.891274     -4.534278      2.160417
  H      -8.407373     -3.077435      3.929873
  H      -7.048825     -3.273471      5.052190
  H      -6.732330     -2.859861      3.357626
  H      -3.970479     -5.675719      9.318006
  H      -2.362751     -4.739005      9.227307
  H      -4.043251     -6.762637      6.078922
  H      -3.120751     -8.072118      6.837889
  H      -4.508171     -7.341962      7.699846
  H      -0.702103     -5.440166      7.632971
  H      -1.025196     -6.788008      6.543634
  H       0.416309     -5.629656      4.920000
  H       0.585169     -4.221281      5.980112
  H      -0.021602     -4.005954      4.321560
  H      -2.828639     -3.446551      6.810442
  H      -1.095592     -3.109492      6.988026
  H      -1.927375     -2.708007      5.467221
  N      -4.620894     -3.420641      5.253510
  N      -4.913724     -2.754641      6.265861
  H      -5.901096     -2.894726      6.549555
86
Coordinates from ORCA-job orca E -5476.188841034848
  N      -3.790910     -3.333547      2.381053
  C      -3.643202     -4.036536      1.095074
  C      -2.992182     -5.398840      1.270664
  N      -3.671357     -6.136939      2.354184
  C      -4.928987     -6.782361      1.925431
  C      -5.848548     -6.811341      3.134852
  N      -5.961044     -5.454034      3.673867
  Mo     -4.164896     -4.527008      3.929134
  N      -2.424026     -5.276925      4.662024
  C      -1.792053     -6.355669      3.892254
  C      -2.795107     -7.099499      3.043911
  H      -1.310817     -7.094882      4.558142
  H      -0.981141     -5.965167      3.248662
  H      -3.431698     -7.721966      3.688029
  H      -2.286128     -7.765027      2.320611
  H      -6.821615     -7.233095      2.846235
  H      -5.447457     -7.506960      3.895900
  H      -5.384713     -6.161692      1.142810
  H      -4.725382     -7.786381      1.507825
  H      -3.013880     -3.468105      0.392552
  H      -4.626319     -4.148375      0.597335
  H      -1.943333     -5.258359      1.565160
  H      -3.010053     -5.977306      0.328278
  C      -1.390044      0.456682      0.978293
  C      -1.449460     -0.280685      2.098198
  C      -0.938628      0.245349      3.412157
  C      -1.986402     -1.693087      2.095361
  C      -3.534675     -1.868944      2.273765
  C      -4.306145     -1.266198      1.084190
  C      -4.001141     -1.132356      3.525435
  C      -7.126807     -6.301462      6.683728
  C      -8.072255     -5.597234      6.047733
  C      -8.956140     -4.626904      6.785607
  C      -8.302338     -5.748010      4.565162
  C      -7.344691     -4.921165      3.640051
  C      -7.904296     -4.990962      2.197299
  C      -7.387986     -3.443882      4.032106
  C      -3.029203     -5.499432      8.790348
  C      -2.719489     -6.128407      7.646939
  C      -3.632008     -7.159287      7.046429
  C      -1.431710     -5.841252      6.918153
  C      -1.497686     -4.810103      5.739896
  C      -0.056063     -4.648327      5.198977
  C      -1.895035     -3.449278      6.301012
  H      -1.004107      1.478397      0.989316
  H      -1.724273      0.061717      0.016554
  H      -1.712467      0.207228      4.193232
  H      -0.579764      1.279648      3.324329
  H      -0.107385     -0.382823      3.773314
  H      -1.521811     -2.264141      2.915231
  H      -1.695488     -2.183151      1.153414
  H      -4.132327     -0.183403      1.038635
  H      -5.383941     -1.440258      1.218527
  H      -4.007297     -1.688664      0.115900
  H      -5.065864     -1.322429      3.708240
  H      -3.446869     -1.438704      4.418083
  H      -3.863945     -0.052279      3.378181
  H      -6.498657     -7.021135      6.156556
  H      -6.941296     -6.170323      7.751838
  H     -10.013973     -4.916029      6.684575
  H      -8.876368     -3.610418      6.374078
  H      -8.709621     -4.588348      7.853372
  H      -8.211403     -6.807809      4.283595
  H      -9.334180     -5.448492      4.320097
  H      -8.003562     -6.019153      1.820788
  H      -7.245833     -4.430637      1.516294
  H      -8.903850     -4.532228      2.165246
  H      -8.420926     -3.073975      3.938843
  H      -7.060992     -3.278076      5.062866
  H      -6.744461     -2.851597      3.364890
  H      -3.962614     -5.703777      9.319190
  H      -2.364684     -4.751806      9.227149
  H      -4.030101     -6.795578      6.086547
  H      -3.085890     -8.094306      6.839800
  H      -4.477487     -7.382449      7.709440
  H      -0.694871     -5.442484      7.632445
  H      -1.009682     -6.786290      6.536818
  H       0.413107     -5.599961      4.916774
  H       0.568383     -4.191959      5.978882
  H      -0.049350     -3.981175      4.323585
  H      -2.855233     -3.465763      6.819882
  H      -1.126845     -3.123257      7.017094
  H      -1.945130     -2.706175      5.493103
  N      -4.627308     -3.406687      5.246548
  N      -4.913546     -2.731722      6.254958
  H      -5.924486     -2.775979      6.479636
86
Coordinates from ORCA-job orca E -5476.189105822108
  N      -3.784865     -3.336205      2.387371
  C      -3.639668     -4.040425      1.100960
  C      -2.992156     -5.404903      1.274066
  N      -3.671421     -6.140557      2.358753
  C      -4.929449     -6.785570      1.931259
  C      -5.851369     -6.807657      3.138143
  N      -5.963837     -5.446650      3.668437
  Mo     -4.167271     -4.528771      3.934267
  N      -2.430331     -5.283671      4.674233
  C      -1.796575     -6.358490      3.901523
  C      -2.796852     -7.102600      3.050629
  H      -1.312844     -7.099078      4.563844
  H      -0.987047     -5.964569      3.258198
  H      -3.434900     -7.725198      3.693096
  H      -2.285983     -7.768675      2.329331
  H      -6.824392     -7.228250      2.846716
  H      -5.455367     -7.498839      3.905837
  H      -5.384348     -6.166492      1.146614
  H      -4.727753     -7.791029      1.516143
  H      -3.010531     -3.474440      0.396222
  H      -4.623911     -4.150268      0.604949
  H      -1.941412     -5.269428      1.564798
  H      -3.015802     -5.982454      0.331211
  C      -1.407961      0.460665      0.971276
  C      -1.459810     -0.274204      2.093654
  C      -0.948957      0.258484      3.405231
  C      -1.988466     -1.689324      2.097121
  C      -3.535824     -1.871473      2.273391
  C      -4.308265     -1.276930      1.080216
  C      -4.006503     -1.132631      3.522180
  C      -7.103870     -6.282587      6.669469
  C      -8.058874     -5.579272      6.043546
  C      -8.940032     -4.613922      6.791040
  C      -8.303762     -5.727902      4.561754
  C      -7.345198     -4.912747      3.630304
  C      -7.904216     -4.988861      2.189384
  C      -7.379896     -3.435179      4.014047
  C      -3.022327     -5.537269      8.796951
  C      -2.706157     -6.158621      7.650983
  C      -3.610838     -7.194623      7.046716
  C      -1.422161     -5.856380      6.921869
  C      -1.503636     -4.816166      5.751500
  C      -0.067053     -4.635763      5.205083
  C      -1.913814     -3.464904      6.325546
  H      -1.028155      1.484400      0.978607
  H      -1.742148      0.062030      0.010774
  H      -1.720253      0.217550      4.188770
  H      -0.597449      1.294491      3.313361
  H      -0.112625     -0.363214      3.765496
  H      -1.522612     -2.253220      2.921442
  H      -1.691974     -2.182409      1.158349
  H      -4.143805     -0.192770      1.033827
  H      -5.384450     -1.460165      1.212056
  H      -4.003303     -1.698333      0.113395
  H      -5.070815     -1.324180      3.703594
  H      -3.453755     -1.435222      4.417973
  H      -3.871416     -0.052613      3.371040
  H      -6.479912     -6.999524      6.133973
  H      -6.907001     -6.153371      7.736589
  H      -9.997533     -4.913224      6.703387
  H      -8.874860     -3.596030      6.375207
  H      -8.678245     -4.571401      7.856988
  H      -8.228093     -6.788783      4.280479
  H      -9.333946     -5.416231      4.324382
  H      -8.006981     -6.017706      1.819392
  H      -7.243303     -4.435991      1.507025
  H      -8.901183     -4.527389      2.153093
  H      -8.405178     -3.057861      3.904432
  H      -7.067934     -3.268956      5.047143
  H      -6.722857     -2.851779      3.358167
  H      -3.954306     -5.751632      9.324387
  H      -2.363879     -4.786641      9.238010
  H      -4.016975     -6.831234      6.090216
  H      -3.056057     -8.123084      6.833561
  H      -4.450997     -7.430195      7.712304
  H      -0.685956     -5.458063      7.636934
  H      -0.994843     -6.794840      6.530988
  H       0.411028     -5.581151      4.916976
  H       0.556439     -4.175029      5.983222
  H      -0.073652     -3.965612      4.331920
  H      -2.877219     -3.493377      6.837508
  H      -1.151922     -3.145963      7.051537
  H      -1.962533     -2.711328      5.527504
  N      -4.631445     -3.400922      5.245068
  N      -4.911816     -2.718272      6.249650
  H      -5.933827     -2.668340      6.416080
86
Coordinates from ORCA-job orca E -5476.189323632795
  N      -3.779409     -3.335255      2.387934
  C      -3.635037     -4.042658      1.103197
  C      -2.989506     -5.407491      1.277546
  N      -3.670362     -6.139511      2.363007
  C      -4.927608     -6.784988      1.934689
  C      -5.854287     -6.799244      3.137305
  N      -5.968478     -5.434868      3.657436
  Mo     -4.172898     -4.523157      3.935748
  N      -2.440957     -5.281241      4.687836
  C      -1.802814     -6.351481      3.913721
  C      -2.797969     -7.098722      3.060527
  H      -1.315847     -7.091289      4.574326
  H      -0.994597     -5.952802      3.271372
  H      -3.438549     -7.720555      3.701291
  H      -2.283398     -7.766095      2.343088
  H      -6.826630     -7.219831      2.843362
  H      -5.463726     -7.484858      3.912741
  H      -5.379843     -6.169360      1.145718
  H      -4.725638     -7.792503      1.524767
  H      -3.005266     -3.479009      0.397188
  H      -4.619881     -4.151910      0.608110
  H      -1.937883     -5.274814      1.566372
  H      -3.016139     -5.985791      0.335154
  C      -1.413242      0.460542      0.956191
  C      -1.453107     -0.275890      2.077032
  C      -0.928731      0.255315      3.383498
  C      -1.983179     -1.690759      2.084526
  C      -3.530170     -1.871225      2.267361
  C      -4.307720     -1.277886      1.077633
  C      -3.991363     -1.128733      3.517111
  C      -7.082253     -6.271032      6.658932
  C      -8.051450     -5.580634      6.041507
  C      -8.939305     -4.628036      6.794349
  C      -8.304481     -5.727764      4.560450
  C      -7.352176     -4.906340      3.625956
  C      -7.913588     -4.980212      2.186379
  C      -7.394558     -3.431152      4.020988
  C      -3.019267     -5.578327      8.807246
  C      -2.696128     -6.187129      7.656423
  C      -3.589553     -7.229429      7.046231
  C      -1.417702     -5.863637      6.926990
  C      -1.515959     -4.813600      5.766353
  C      -0.084634     -4.613790      5.213678
  C      -1.939116     -3.472992      6.355036
  H      -1.032986      1.484165      0.961293
  H      -1.757657      0.063749     -0.001070
  H      -1.691073      0.210827      4.174557
  H      -0.580483      1.292169      3.290382
  H      -0.087609     -0.364720      3.732972
  H      -1.515151     -2.252911      2.908174
  H      -1.689892     -2.185745      1.146145
  H      -4.147187     -0.193089      1.033161
  H      -5.383386     -1.465070      1.212075
  H      -4.003742     -1.696485      0.109367
  H      -5.056196     -1.314473      3.703886
  H      -3.437561     -1.433552      4.410619
  H      -3.850793     -0.049500      3.364570
  H      -6.453529     -6.977758      6.117728
  H      -6.878035     -6.139931      7.723775
  H      -9.992920     -4.948049      6.723685
  H      -8.898465     -3.612292      6.369967
  H      -8.662992     -4.573137      7.856062
  H      -8.231223     -6.788458      4.275601
  H      -9.336047     -5.415308      4.331300
  H      -8.006390     -6.009314      1.811031
  H      -7.258878     -4.416898      1.504709
  H      -8.915647     -4.528288      2.155509
  H      -8.420426     -3.053080      3.909185
  H      -7.093089     -3.278935      5.060285
  H      -6.733194     -2.837596      3.375421
  H      -3.948160     -5.808191      9.333543
  H      -2.369314     -4.823584      9.253816
  H      -4.003913     -6.866021      6.093135
  H      -3.023599     -8.149136      6.824376
  H      -4.424299     -7.481583      7.712573
  H      -0.683403     -5.464071      7.643147
  H      -0.981785     -6.793326      6.525178
  H       0.402326     -5.552645      4.917961
  H       0.538694     -4.149428      5.990159
  H      -0.104869     -3.939688      4.343753
  H      -2.905241     -3.514645      6.861837
  H      -1.182615     -3.159797      7.090029
  H      -1.989518     -2.708195      5.567814
  N      -4.643473     -3.385066      5.235898
  N      -4.922131     -2.693556      6.233465
  H      -5.943195     -2.548657      6.339294
86
Coordinates from ORCA-job orca E -5476.189550096864
  N      -3.772033     -3.332455      2.381778
  C      -3.629193     -4.045844      1.100580
  C      -2.985984     -5.410194      1.279807
  N      -3.670457     -6.136405      2.366408
  C      -4.927762     -6.780845      1.936822
  C      -5.860597     -6.784500      3.134391
  N      -5.974167     -5.416325      3.643948
  Mo     -4.179104     -4.511814      3.932867
  N      -2.454857     -5.274415      4.702172
  C      -1.811576     -6.339865      3.926064
  C      -2.801752     -7.091956      3.072449
  H      -1.319968     -7.077679      4.585139
  H      -1.005814     -5.935769      3.283978
  H      -3.446102     -7.710799      3.712529
  H      -2.284078     -7.762633      2.360371
  H      -6.832901     -7.203253      2.837597
  H      -5.477401     -7.465808      3.917431
  H      -5.375045     -6.169332      1.141835
  H      -4.726214     -7.791388      1.534512
  H      -2.999008     -3.485292      0.392553
  H      -4.614933     -4.155436      0.607233
  H      -1.934023     -5.279652      1.568019
  H      -3.014150     -5.991071      0.338959
  C      -1.394548      0.451988      0.928801
  C      -1.440633     -0.278038      2.055061
  C      -0.921915      0.259933      3.360943
  C      -1.973326     -1.692386      2.070982
  C      -3.521250     -1.869693      2.251298
  C      -4.297415     -1.282022      1.057866
  C      -3.979314     -1.117922      3.496152
  C      -7.042032     -6.259832      6.644688
  C      -8.033503     -5.585222      6.046085
  C      -8.932030     -4.657541      6.817472
  C      -8.302194     -5.725632      4.566543
  C      -7.360630     -4.895153      3.626801
  C      -7.929282     -4.967028      2.190834
  C      -7.408529     -3.424923      4.035033
  C      -3.020180     -5.639615      8.820892
  C      -2.690948     -6.225920      7.660093
  C      -3.572151     -7.269777      7.036158
  C      -1.418890     -5.875129      6.932458
  C      -1.535297     -4.810354      5.787322
  C      -0.109130     -4.581509      5.233557
  C      -1.977160     -3.486216      6.397423
  H      -1.012353      1.475153      0.928329
  H      -1.734446      0.050007     -0.027766
  H      -1.689679      0.221300      4.149144
  H      -0.571268      1.296371      3.261947
  H      -0.082069     -0.360553      3.719821
  H      -1.510281     -2.248964      2.901371
  H      -1.675597     -2.195065      1.137979
  H      -4.141224     -0.196323      1.011458
  H      -5.373142     -1.472385      1.189280
  H      -3.988491     -1.701797      0.091477
  H      -5.046128     -1.293696      3.681723
  H      -3.430903     -1.424384      4.392489
  H      -3.829552     -0.040289      3.340352
  H      -6.405271     -6.948483      6.088609
  H      -6.825594     -6.132142      7.707442
  H      -9.976455     -5.008734      6.773882
  H      -8.931195     -3.643253      6.388549
  H      -8.633513     -4.589894      7.871996
  H      -8.230979     -6.784817      4.274611
  H      -9.336955     -5.413557      4.351445
  H      -8.012233     -5.995207      1.811296
  H      -7.283651     -4.394449      1.508406
  H      -8.936590     -4.525997      2.167396
  H      -8.435103     -3.045481      3.923184
  H      -7.114790     -3.290707      5.079910
  H      -6.743299     -2.822055      3.401128
  H      -3.945066     -5.890584      9.344550
  H      -2.379043     -4.884001      9.278349
  H      -3.991417     -6.901455      6.086983
  H      -2.995160     -8.179556      6.801106
  H      -4.403710     -7.542702      7.698485
  H      -0.687781     -5.475721      7.651899
  H      -0.971558     -6.792795      6.515833
  H       0.391597     -5.509368      4.926251
  H       0.509862     -4.115374      6.012503
  H      -0.143610     -3.898541      4.370996
  H      -2.945243     -3.547994      6.898697
  H      -1.227752     -3.178021      7.142534
  H      -2.034793     -2.706593      5.625313
  N      -4.653229     -3.358830      5.218739
  N      -4.930490     -2.653740      6.206336
  H      -5.937818     -2.416014      6.254735
86
Coordinates from ORCA-job orca E -5476.189844770553
  N      -3.760188     -3.325762      2.370253
  C      -3.620199     -4.049645      1.095193
  C      -2.976890     -5.410921      1.285037
  N      -3.666224     -6.129135      2.373662
  C      -4.923649     -6.772245      1.940912
  C      -5.866633     -6.761897      3.130270
  N      -5.978750     -5.389384      3.629276
  Mo     -4.183019     -4.491735      3.927959
  N      -2.470746     -5.258468      4.724577
  C      -1.818124     -6.317103      3.945488
  C      -2.801343     -7.078324      3.092352
  H      -1.319124     -7.050194      4.603682
  H      -1.016229     -5.904432      3.303822
  H      -3.450467     -7.692278      3.732588
  H      -2.279877     -7.754015      2.387797
  H      -6.838591     -7.176824      2.827474
  H      -5.494995     -7.440827      3.921380
  H      -5.362519     -6.166517      1.136927
  H      -4.721749     -7.787084      1.550183
  H      -2.990984     -3.493087      0.383355
  H      -4.607476     -4.162546      0.605712
  H      -1.925638     -5.278916      1.574274
  H      -3.003274     -5.997828      0.347762
  C      -1.391060      0.447274      0.874608
  C      -1.422028     -0.279036      2.002553
  C      -0.881181      0.261341      3.297915
  C      -1.959687     -1.692015      2.029937
  C      -3.507014     -1.865094      2.224619
  C      -4.292149     -1.286830      1.032955
  C      -3.949431     -1.099144      3.465822
  C      -7.019920     -6.276153      6.629348
  C      -8.025216     -5.606601      6.049667
  C      -8.932917     -4.707562      6.842557
  C      -8.302399     -5.726595      4.569230
  C      -7.368213     -4.876828      3.635102
  C      -7.942715     -4.932014      2.200351
  C      -7.420236     -3.416780      4.075409
  C      -3.021570     -5.734351      8.849066
  C      -2.687389     -6.281152      7.670426
  C      -3.553068     -7.320952      7.021635
  C      -1.425317     -5.889096      6.947096
  C      -1.563817     -4.803060      5.825174
  C      -0.143548     -4.530570      5.277462
  C      -2.036984     -3.505453      6.465406
  H      -1.005107      1.469390      0.865071
  H      -1.747247      0.042692     -0.074658
  H      -1.635362      0.222082      4.098364
  H      -0.533021      1.298419      3.192687
  H      -0.035188     -0.357145      3.643553
  H      -1.492837     -2.245115      2.859611
  H      -1.669894     -2.200986      1.098079
  H      -4.138934     -0.200375      0.979592
  H      -5.367447     -1.478387      1.171228
  H      -3.987246     -1.711457      0.066762
  H      -5.017220     -1.262727      3.659862
  H      -3.399439     -1.405412      4.361320
  H      -3.789724     -0.023770      3.303306
  H      -6.377742     -6.945077      6.056358
  H      -6.796139     -6.162986      7.692196
  H      -9.969078     -5.086180      6.817872
  H      -8.964673     -3.691311      6.417920
  H      -8.617192     -4.636318      7.892616
  H      -8.233250     -6.781672      4.260863
  H      -9.339023     -5.413785      4.366795
  H      -8.013899     -5.955191      1.804905
  H      -7.305911     -4.342461      1.524213
  H      -8.955492     -4.503678      2.187131
  H      -8.446104     -3.032771      3.965693
  H      -7.136160     -3.316750      5.128424
  H      -6.748582     -2.797779      3.464140
  H      -3.939770     -6.017767      9.367957
  H      -2.391191     -4.981503      9.325523
  H      -3.974711     -6.940989      6.077787
  H      -2.963104     -8.217152      6.765452
  H      -4.382678     -7.623296      7.673548
  H      -0.700625     -5.489652      7.672968
  H      -0.960179     -6.788645      6.510469
  H       0.377489     -5.440446      4.950853
  H       0.466314     -4.066615      6.064835
  H      -0.194647     -3.830734      4.429246
  H      -3.005507     -3.600716      6.959841
  H      -1.298544     -3.198786      7.222190
  H      -2.113427     -2.706406      5.715138
  N      -4.660743     -3.318477      5.193221
  N      -4.940881     -2.593418      6.164657
  H      -5.926789     -2.278214      6.158812
86
Coordinates from ORCA-job orca E -5476.190104977016
  N      -3.739831     -3.315158      2.350833
  C      -3.602270     -4.052064      1.082728
  C      -2.962406     -5.410122      1.291167
  N      -3.660027     -6.115205      2.383529
  C      -4.917851     -6.756212      1.945842
  C      -5.872225     -6.731842      3.125569
  N      -5.984043     -5.355424      3.616489
  Mo     -4.183481     -4.464444      3.918363
  N      -2.491529     -5.240269      4.751942
  C      -1.823445     -6.288935      3.969138
  C      -2.798865     -7.059599      3.114717
  H      -1.316130     -7.015709      4.627144
  H      -1.025817     -5.862924      3.330164
  H      -3.452960     -7.668657      3.754760
  H      -2.273800     -7.739411      2.416710
  H      -6.842620     -7.143866      2.814512
  H      -5.511419     -7.410924      3.922056
  H      -5.345792     -6.156465      1.131732
  H      -4.716071     -7.776195      1.569119
  H      -2.970517     -3.503104      0.367536
  H      -4.590299     -4.166952      0.595253
  H      -1.913152     -5.273996      1.585300
  H      -2.982718     -6.008550      0.360943
  C      -1.377113      0.440515      0.801905
  C      -1.399984     -0.273841      1.937454
  C      -0.847406      0.278319      3.222683
  C      -1.939121     -1.685665      1.981567
  C      -3.486404     -1.856923      2.185411
  C      -4.277006     -1.293744      0.989979
  C      -3.921697     -1.072876      3.416533
  C      -6.957994     -6.274106      6.615756
  C      -7.988426     -5.617268      6.065532
  C      -8.898893     -4.747377      6.888286
  C      -8.291953     -5.723361      4.589887
  C      -7.377849     -4.856643      3.649981
  C      -7.972295     -4.905497      2.223327
  C      -7.439122     -3.406123      4.111093
  C      -3.036666     -5.877635      8.879890
  C      -2.697118     -6.362872      7.675901
  C      -3.543143     -7.387913      6.982671
  C      -1.445575     -5.915518      6.967373
  C      -1.607669     -4.800557      5.877186
  C      -0.194257     -4.468339      5.347053
  C      -2.129547     -3.543384      6.556163
  H      -0.989618      1.461727      0.778054
  H      -1.742119      0.025241     -0.139558
  H      -1.593140      0.241557      4.030900
  H      -0.504292      1.315844      3.106598
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  H      -1.469986     -2.231848      2.814430
  H      -1.653317     -2.203580      1.053517
  H      -4.127628     -0.207463      0.925496
  H      -5.351536     -1.486231      1.131030
  H      -3.972493     -1.726286      0.027363
  H      -4.991756     -1.222061      3.609943
  H      -3.375918     -1.377376      4.315755
  H      -3.750447     -0.001103      3.246111
  H      -6.312126     -6.922460      6.022250
  H      -6.715475     -6.170525      7.675093
  H      -9.923483     -5.154659      6.896643
  H      -8.971743     -3.732824      6.467600
  H      -8.554965     -4.668094      7.928061
  H      -8.220768     -6.773697      4.269247
  H      -9.334313     -5.415410      4.408921
  H      -8.030166     -5.924980      1.818103
  H      -7.353702     -4.299817      1.545121
  H      -8.992982     -4.495014      2.226857
  H      -8.468958     -3.026810      4.008140
  H      -7.154870     -3.329812      5.166439
  H      -6.768701     -2.773887      3.511751
  H      -3.946165     -6.205848      9.387440
  H      -2.419300     -5.135074      9.388558
  H      -3.957976     -6.981637      6.047021
  H      -2.939135     -8.266260      6.696948
  H      -4.376592     -7.729133      7.610938
  H      -0.734909     -5.515673      7.706523
  H      -0.953239     -6.790126      6.509547
  H       0.351544     -5.351300      4.987226
  H       0.402460     -4.017868      6.152502
  H      -0.263686     -3.738501      4.525657
  H      -3.097717     -3.692332      7.036765
  H      -1.410732     -3.232424      7.328348
  H      -2.238911     -2.721924      5.835736
  N      -4.667536     -3.268116      5.157793
  N      -4.955298     -2.522946      6.109947
  H      -5.919713     -2.152439      6.051645
86
Coordinates from ORCA-job orca E -5476.190343801321
  N      -3.729768     -3.310237      2.341690
  C      -3.597026     -4.052513      1.075511
  C      -2.960675     -5.410197      1.293145
  N      -3.659730     -6.105172      2.391083
  C      -4.917954     -6.746887      1.955556
  C      -5.874467     -6.716378      3.132645
  N      -5.986543     -5.337416      3.620110
  Mo     -4.184004     -4.448187      3.917469
  N      -2.502570     -5.231397      4.766348
  C      -1.825298     -6.271842      3.978922
  C      -2.797391     -7.047248      3.124498
  H      -1.310916     -6.995837      4.633503
  H      -1.033040     -5.835700      3.340725
  H      -3.449292     -7.657618      3.764724
  H      -2.270032     -7.725777      2.427194
  H      -6.843720     -7.129620      2.819623
  H      -5.514695     -7.395624      3.929625
  H      -5.342263     -6.150969      1.136945
  H      -4.717882     -7.769826      1.585867
  H      -2.965284     -3.508970      0.356430
  H      -4.585586     -4.167940      0.589570
  H      -1.911683     -5.272696      1.587535
  H      -2.980498     -6.016944      0.368393
  C      -1.362210      0.428338      0.762282
  C      -1.387921     -0.273972      1.906499
  C      -0.836191      0.290495      3.187128
  C      -1.927349     -1.685022      1.964779
  C      -3.475344     -1.853055      2.167781
  C      -4.263888     -1.297050      0.966788
  C      -3.912432     -1.059542      3.392106
  C      -6.953070     -6.276676      6.618479
  C      -7.987696     -5.623501      6.072340
  C      -8.903929     -4.767324      6.901984
  C      -8.292203     -5.720265      4.596375
  C      -7.382454     -4.844972      3.661464
  C      -7.982627     -4.887016      2.236161
  C      -7.444756     -3.395959      4.130046
  C      -3.029382     -5.960771      8.896979
  C      -2.687714     -6.410401      7.679815
  C      -3.516835     -7.434837      6.964579
  C      -1.447203     -5.922933      6.977866
  C      -1.628432     -4.797379      5.899647
  C      -0.220518     -4.435867      5.373208
  C      -2.174192     -3.559501      6.594269
  H      -0.973793      1.448908      0.727891
  H      -1.726034      0.002910     -0.175530
  H      -1.581874      0.259379      3.996666
  H      -0.494781      1.327539      3.061560
  H       0.017122     -0.317335      3.534639
  H      -1.459856     -2.223874      2.804605
  H      -1.640184     -2.212299      1.041870
  H      -4.115548     -0.211182      0.895718
  H      -5.338162     -1.489854      1.107161
  H      -3.957404     -1.734633      0.007263
  H      -4.984409     -1.201136      3.580128
  H      -3.370869     -1.361457      4.295207
  H      -3.734813      0.010195      3.216024
  H      -6.305281     -6.918079      6.022496
  H      -6.710764     -6.178803      7.678594
  H      -9.925912     -5.185459      6.907658
  H      -8.985645     -3.749030      6.488087
  H      -8.558563     -4.692089      7.943201
  H      -8.220451     -6.768105      4.268367
  H      -9.334462     -5.413255      4.416911
  H      -8.035128     -5.904169      1.822625
  H      -7.370761     -4.271320      1.560125
  H      -9.005926     -4.483776      2.246001
  H      -8.474043     -3.019041      4.025456
  H      -7.159967     -3.323605      5.184843
  H      -6.773700     -2.762295      3.534060
  H      -3.929649     -6.319286      9.400563
  H      -2.423787     -5.218133      9.420563
  H      -3.933989     -7.012049      6.037217
  H      -2.899509     -8.297749      6.661132
  H      -4.347079     -7.802008      7.582345
  H      -0.748839     -5.513578      7.723387
  H      -0.931745     -6.781771      6.515797
  H       0.334459     -5.305222      4.994517
  H       0.373675     -3.992901      6.185173
  H      -0.302642     -3.692479      4.565823
  H      -3.145251     -3.735451      7.063687
  H      -1.468612     -3.245929      7.377165
  H      -2.293289     -2.729633      5.886069
  N      -4.666845     -3.237854      5.144442
  N      -4.957584     -2.478970      6.086149
  H      -5.914896     -2.094327      6.009325
86
Coordinates from ORCA-job orca E -5476.190663767338
  N      -3.709888     -3.303428      2.323772
  C      -3.580356     -4.050601      1.058693
  C      -2.953665     -5.410623      1.291736
  N      -3.658493     -6.087215      2.398053
  C      -4.915691     -6.731935      1.964314
  C      -5.874949     -6.697012      3.138124
  N      -5.991614     -5.315359      3.622866
  Mo     -4.189284     -4.424292      3.910858
  N      -2.531291     -5.223624      4.790718
  C      -1.833935     -6.250288      4.000828
  C      -2.795730     -7.028336      3.135134
  H      -1.315149     -6.973063      4.652948
  H      -1.044312     -5.797829      3.370915
  H      -3.445212     -7.645984      3.770500
  H      -2.258581     -7.700212      2.438563
  H      -6.840689     -7.116318      2.821781
  H      -5.512071     -7.375675      3.934404
  H      -5.335299     -6.141480      1.139019
  H      -4.718420     -7.758639      1.602853
  H      -2.944202     -3.517195      0.335975
  H      -4.567276     -4.164383      0.568761
  H      -1.905354     -5.272692      1.589839
  H      -2.971450     -6.031681      0.376561
  C      -1.358512      0.422532      0.715821
  C      -1.370813     -0.271788      1.863724
  C      -0.805039      0.300828      3.134927
  C      -1.907199     -1.681745      1.935838
  C      -3.454602     -1.846487      2.141142
  C      -4.242964     -1.296493      0.936213
  C      -3.891514     -1.042661      3.358872
  C      -6.863636     -6.225142      6.621941
  C      -7.932175     -5.606422      6.097400
  C      -8.850893     -4.768096      6.944880
  C      -8.272293     -5.714856      4.631449
  C      -7.393301     -4.839762      3.676302
  C      -8.019855     -4.896956      2.263418
  C      -7.464510     -3.385117      4.128874
  C      -3.062149     -6.102569      8.901569
  C      -2.701602     -6.493329      7.669880
  C      -3.490961     -7.515658      6.905283
  C      -1.472229     -5.939559      6.998179
  C      -1.680181     -4.796449      5.940176
  C      -0.278678     -4.381571      5.437380
  C      -2.272216     -3.595176      6.659104
  H      -0.972840      1.442825      0.672777
  H      -1.732730     -0.008863     -0.215221
  H      -1.535731      0.263533      3.955157
  H      -0.475852      1.339212      3.003936
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  H      -1.436564     -2.212799      2.779526
  H      -1.623634     -2.216123      1.016428
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  H      -5.316211     -1.490606      1.079973
  H      -3.938087     -1.738705     -0.021163
  H      -4.965126     -1.176797      3.541879
  H      -3.349798     -1.338200      4.264159
  H      -3.708020      0.024353      3.172376
  H      -6.209222     -6.852539      6.017187
  H      -6.599175     -6.112000      7.675457
  H      -9.859999     -5.213198      6.976322
  H      -8.973280     -3.756150      6.528318
  H      -8.481103     -4.676600      7.974997
  H      -8.197627     -6.761985      4.307068
  H      -9.320631     -5.415858      4.469953
  H      -8.066768     -5.915860      1.856288
  H      -7.430303     -4.276169      1.573904
  H      -9.047621     -4.506966      2.288885
  H      -8.499150     -3.025969      4.028378
  H      -7.162607     -3.289389      5.175362
  H      -6.808331     -2.757184      3.511950
  H      -3.951990     -6.510096      9.386438
  H      -2.485219     -5.359728      9.456937
  H      -3.902314     -7.057060      5.993507
  H      -2.846836     -8.349424      6.579138
  H      -4.321368     -7.926566      7.494954
  H      -0.806251     -5.514502      7.763781
  H      -0.910303     -6.769578      6.537431
  H       0.296942     -5.225357      5.034427
  H       0.300202     -3.951070      6.266321
  H      -0.375467     -3.616866      4.652738
  H      -3.256638     -3.815322      7.081355
  H      -1.605981     -3.293471      7.478088
  H      -2.382452     -2.744478      5.976781
  N      -4.678944     -3.192930      5.114650
  N      -4.978231     -2.413680      6.037538
  H      -5.922622     -2.006291      5.918706
86
Coordinates from ORCA-job orca E -5476.190846412601
  N      -3.700290     -3.294733      2.315102
  C      -3.575544     -4.046610      1.053216
  C      -2.951124     -5.406776      1.292746
  N      -3.657078     -6.073555      2.403555
  C      -4.912822     -6.720987      1.972925
  C      -5.872837     -6.682330      3.145296
  N      -5.992628     -5.298887      3.624810
  Mo     -4.193931     -4.404173      3.907731
  N      -2.552367     -5.213558      4.809670
  C      -1.842076     -6.229026      4.017796
  C      -2.794425     -7.010631      3.144413
  H      -1.320429     -6.951244      4.668146
  H      -1.053694     -5.766172      3.393898
  H      -3.442793     -7.632946      3.776170
  H      -2.249524     -7.678562      2.450474
  H      -6.836909     -7.103568      2.826532
  H      -5.511366     -7.357685      3.944839
  H      -5.332052     -6.134558      1.144372
  H      -4.716705     -7.749225      1.615361
  H      -2.940792     -3.519015      0.325093
  H      -4.563105     -4.161432      0.565248
  H      -1.902688     -5.269044      1.590435
  H      -2.970294     -6.034658      0.382635
  C      -1.336158      0.405965      0.662351
  C      -1.354656     -0.274211      1.820259
  C      -0.790691      0.312418      3.086152
  C      -1.894943     -1.682182      1.911390
  C      -3.441909     -1.839433      2.124619
  C      -4.233967     -1.293767      0.920341
  C      -3.870583     -1.029024      3.341320
  C      -6.838739     -6.202929      6.631137
  C      -7.918938     -5.604287      6.110876
  C      -8.847537     -4.782016      6.961446
  C      -8.263634     -5.717381      4.646675
  C      -7.397906     -4.834590      3.688013
  C      -8.029328     -4.892837      2.277561
  C      -7.478589     -3.378411      4.142614
  C      -3.062512     -6.196751      8.901902
  C      -2.694313     -6.550200      7.661227
  C      -3.462588     -7.569511      6.870883
  C      -1.477495     -5.953659      7.002897
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  C      -0.318641     -4.340012      5.477124
  C      -2.329407     -3.623774      6.720100
  H      -0.947360      1.424771      0.607691
  H      -1.706886     -0.035543     -0.265374
  H      -1.525280      0.289383      3.906123
  H      -0.456049      1.348344      2.941226
  H       0.069774     -0.287306      3.429145
  H      -1.422031     -2.203837      2.759188
  H      -1.615808     -2.228591      0.997257
  H      -4.083921     -0.209720      0.835370
  H      -5.306377     -1.486313      1.072540
  H      -3.935472     -1.742616     -0.036302
  H      -4.944084     -1.156770      3.528338
  H      -3.326290     -1.321773      4.245823
  H      -3.681903      0.035963      3.146800
  H      -6.176892     -6.818185      6.024100
  H      -6.571952     -6.084479      7.683287
  H      -9.850218     -5.243816      6.990429
  H      -8.985552     -3.770058      6.547389
  H      -8.477060     -4.688293      7.991821
  H      -8.184950     -6.764224      4.321626
  H      -9.314150     -5.425746      4.490133
  H      -8.070126     -5.910858      1.866365
  H      -7.448221     -4.263423      1.588323
  H      -9.059736     -4.511757      2.309063
  H      -8.515292     -3.029799      4.046427
  H      -7.172239     -3.276081      5.186272
  H      -6.832651     -2.743974      3.520227
  H      -3.943475     -6.633649      9.377483
  H      -2.502256     -5.454731      9.474285
  H      -3.877795     -7.092317      5.970974
  H      -2.802632     -8.384420      6.529857
  H      -4.286812     -8.005595      7.450496
  H      -0.825110     -5.526803      7.779540
  H      -0.892891     -6.761099      6.529942
  H       0.270528     -5.163953      5.052010
  H       0.254145     -3.920531      6.316286
  H      -0.431538     -3.558597      4.710870
  H      -3.320827     -3.869714      7.112202
  H      -1.682019     -3.348774      7.564618
  H      -2.431633     -2.749313      6.068242
  N      -4.687109     -3.160869      5.096565
  N      -4.989619     -2.364686      6.005269
  H      -5.923539     -1.942655      5.862253
86
Coordinates from ORCA-job orca E -5476.191020332203
  N      -3.695610     -3.286494      2.303667
  C      -3.574345     -4.042468      1.045110
  C      -2.947204     -5.400549      1.288088
  N      -3.652343     -6.063244      2.401735
  C      -4.906326     -6.715730      1.972779
  C      -5.867103     -6.677784      3.144848
  N      -5.992054     -5.294642      3.623122
  Mo     -4.198571     -4.389665      3.899130
  N      -2.574284     -5.207186      4.823147
  C      -1.847843     -6.209212      4.028537
  C      -2.786522     -6.995637      3.143996
  H      -1.324022     -6.930037      4.677805
  H      -1.060149     -5.734200      3.412791
  H      -3.433120     -7.626114      3.769322
  H      -2.232115     -7.655791      2.450721
  H      -6.829776     -7.100407      2.824034
  H      -5.506917     -7.349847      3.947522
  H      -5.328101     -6.132412      1.143208
  H      -4.707752     -7.743639      1.615895
  H      -2.942420     -3.517848      0.312395
  H      -4.563248     -4.159746      0.560703
  H      -1.899189     -5.259444      1.585626
  H      -2.965821     -6.033006      0.381468
  C      -1.320863      0.398932      0.627741
  C      -1.337866     -0.277160      1.787237
  C      -0.763581      0.311040      3.047440
  C      -1.885163     -1.682484      1.886078
  C      -3.431985     -1.832406      2.107698
  C      -4.228332     -1.286223      0.907380
  C      -3.850111     -1.018588      3.325632
  C      -6.805491     -6.178358      6.645633
  C      -7.895137     -5.592597      6.131568
  C      -8.824571     -4.775355      6.985565
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  C      -7.399524     -4.837254      3.697627
  C      -8.041350     -4.903271      2.292746
  C      -7.485405     -3.378976      4.146249
  C      -3.080484     -6.273753      8.897869
  C      -2.698743     -6.594737      7.652524
  C      -3.444718     -7.611125      6.837317
  C      -1.491892     -5.960657      7.011056
  C      -1.747525     -4.789222      5.994325
  C      -0.361323     -4.299652      5.517723
  C      -2.393093     -3.647456      6.765496
  H      -0.926229      1.415625      0.568347
  H      -1.697275     -0.043261     -0.296793
  H      -1.493374      0.294917      3.871328
  H      -0.424032      1.345038      2.896855
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  H      -4.923309     -1.138562      3.517682
  H      -3.305268     -1.312991      4.228746
  H      -3.654756      0.044544      3.127116
  H      -6.143783     -6.789374      6.034603
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  H      -9.825256     -5.241319      7.015792
  H      -8.968095     -3.763256      6.573203
  H      -8.451306     -4.682070      8.014991
  H      -8.168099     -6.768295      4.352005
  H      -9.304520     -5.436654      4.522564
  H      -8.083874     -5.922235      1.884919
  H      -7.467917     -4.274162      1.597378
  H      -9.072309     -4.524793      2.332086
  H      -8.527733     -3.040125      4.068334
  H      -7.160101     -3.264212      5.183947
  H      -6.859662     -2.740581      3.506623
  H      -3.955122     -6.736550      9.360762
  H      -2.538194     -5.532607      9.487744
  H      -3.860910     -7.119130      5.945661
  H      -2.768956     -8.408457      6.486670
  H      -4.264377     -8.068357      7.405925
  H      -0.855182     -5.530684      7.798949
  H      -0.885994     -6.747307      6.530198
  H       0.245887     -5.104552      5.081486
  H       0.199253     -3.883873      6.366677
  H      -0.486239     -3.507929      4.763332
  H      -3.392367     -3.911857      7.124326
  H      -1.767692     -3.398918      7.635182
  H      -2.482979     -2.751910      6.140846
  N      -4.696468     -3.142543      5.079954
  N      -5.002337     -2.333408      5.977152
  H      -5.943861     -1.929983      5.833807
86
Coordinates from ORCA-job orca E -5476.191153797178
  N      -3.686186     -3.273959      2.291072
  C      -3.571297     -4.037538      1.037361
  C      -2.942412     -5.392968      1.285580
  N      -3.647069     -6.047866      2.404033
  C      -4.898192     -6.708205      1.977413
  C      -5.860493     -6.668076      3.148004
  N      -5.996483     -5.283267      3.615771
  Mo     -4.211220     -4.366046      3.890351
  N      -2.618972     -5.201405      4.851534
  C      -1.864352     -6.179039      4.052258
  C      -2.777846     -6.973882      3.149582
  H      -1.334478     -6.896728      4.698730
  H      -1.080092     -5.682173      3.449463
  H      -3.423288     -7.618123      3.761933
  H      -2.207162     -7.620917      2.457946
  H      -6.820528     -7.095961      2.826112
  H      -5.501813     -7.328686      3.960380
  H      -5.324195     -6.131034      1.145554
  H      -4.694768     -7.736023      1.623754
  H      -2.942027     -3.518903      0.297940
  H      -4.562886     -4.156270      0.558792
  H      -1.894141     -5.249151      1.581442
  H      -2.962856     -6.032044      0.383827
  C      -1.294951      0.384776      0.575803
  C      -1.308463     -0.284505      1.738225
  C      -0.720051      0.307428      2.989853
  C      -1.865894     -1.685533      1.849740
  C      -3.412931     -1.822922      2.080717
  C      -4.213149     -1.277708      0.883854
  C      -3.813471     -0.998601      3.296738
  C      -6.716257     -6.115215      6.655001
  C      -7.837306     -5.569850      6.162716
  C      -8.770076     -4.770096      7.029351
  C      -8.223383     -5.725621      4.710234
  C      -7.407406     -4.842217      3.706506
  C      -8.070857     -4.927467      2.313721
  C      -7.509173     -3.382897      4.147691
  C      -3.106896     -6.410835      8.884908
  C      -2.704421     -6.671793      7.632017
  C      -3.416662     -7.676620      6.772181
  C      -1.514734     -5.977356      7.021365
  C      -1.814782     -4.786257      6.040020
  C      -0.450427     -4.222092      5.586281
  C      -2.514264     -3.701628      6.846919
  H      -0.892717      1.398111      0.508109
  H      -1.680787     -0.058808     -0.343591
  H      -1.442661      0.300725      3.819062
  H      -0.375796      1.338417      2.830100
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  H      -3.933557     -1.739626     -0.071956
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  H      -3.274541     -1.299683      4.200716
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  H      -6.050677     -6.710495      6.031347
  H      -6.418528     -5.969433      7.695517
  H      -9.757344     -5.259144      7.084521
  H      -8.947651     -3.766597      6.611775
  H      -8.378531     -4.659266      8.048806
  H      -8.130034     -6.778955      4.404487
  H      -9.286163     -5.463829      4.585195
  H      -8.110986     -5.949767      1.913376
  H      -7.515688     -4.296985      1.604239
  H      -9.105330     -4.558780      2.369599
  H      -8.557878     -3.058346      4.087215
  H      -7.173144     -3.259009      5.182036
  H      -6.906054     -2.733538      3.496198
  H      -3.970165     -6.917141      9.323008
  H      -2.591317     -5.678131      9.508095
  H      -3.833721     -7.160598      5.894289
  H      -2.716961     -8.444077      6.402828
  H      -4.230372     -8.170388      7.318383
  H      -0.899377     -5.548612      7.826416
  H      -0.878148     -6.724963      6.519546
  H       0.193308     -4.987041      5.130726
  H       0.088360     -3.806632      6.449260
  H      -0.607213     -3.416126      4.852768
  H      -3.519446     -4.005730      7.156416
  H      -1.922418     -3.495532      7.751672
  H      -2.600959     -2.772289      6.272885
  N      -4.711392     -3.098479      5.048247
  N      -5.009757     -2.261345      5.922429
  H      -5.926463     -1.819849      5.739658
86
Coordinates from ORCA-job orca E -5476.191253527080
  N      -3.686374     -3.270696      2.289659
  C      -3.572608     -4.035738      1.036936
  C      -2.940603     -5.389029      1.284563
  N      -3.644185     -6.048327      2.401612
  C      -4.895416     -6.708848      1.974864
  C      -5.857980     -6.670599      3.145509
  N      -5.992875     -5.286252      3.613659
  Mo     -4.209509     -4.364939      3.887082
  N      -2.622114     -5.203187      4.851881
  C      -1.862841     -6.175957      4.050594
  C      -2.772421     -6.972734      3.146398
  H      -1.331283     -6.893186      4.696414
  H      -1.079719     -5.675724      3.449045
  H      -3.416700     -7.621633      3.755284
  H      -2.198397     -7.615660      2.453499
  H      -6.818982     -7.096967      2.824238
  H      -5.499867     -7.332222      3.957523
  H      -5.323102     -6.130753      1.144545
  H      -4.689885     -7.735632      1.619521
  H      -2.946103     -3.515418      0.296148
  H      -4.565443     -4.157244      0.561454
  H      -1.892929     -5.242810      1.581272
  H      -2.959023     -6.026197      0.381153
  C      -1.296600      0.384570      0.566730
  C      -1.306364     -0.283953      1.729555
  C      -0.713595      0.308679      2.979033
  C      -1.865014     -1.684572      1.842400
  C      -3.410775     -1.820325      2.079665
  C      -4.214701     -1.273422      0.886080
  C      -3.804529     -0.996257      3.297823
  C      -6.727773     -6.122340      6.664207
  C      -7.840242     -5.565194      6.166118
  C      -8.768278     -4.754171      7.027264
  C      -8.221626     -5.723189      4.712127
  C      -7.402834     -4.841525      3.707667
  C      -8.068332     -4.929862      2.315508
  C      -7.500614     -3.382700      4.146197
  C      -3.097204     -6.424805      8.892407
  C      -2.700667     -6.679542      7.636269
  C      -3.414541     -7.683645      6.776800
  C      -1.517144     -5.978715      7.021797
  C      -1.822662     -4.786596      6.043787
  C      -0.461585     -4.212311      5.593577
  C      -2.532330     -3.706806      6.848661
  H      -0.894066      1.397541      0.496811
  H      -1.687143     -0.059498     -0.351022
  H      -1.433959      0.304660      3.810339
  H      -0.368062      1.338768      2.817105
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  H      -1.383320     -2.202923      2.685968
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  H      -5.287260     -1.447779      1.059836
  H      -3.940038     -1.736908     -0.070664
  H      -4.878462     -1.093305      3.498132
  H      -3.264571     -1.302484      4.199817
  H      -3.588766      0.062262      3.096995
  H      -6.067563     -6.725664      6.042818
  H      -6.432223     -5.979151      7.705560
  H      -9.762766     -5.228835      7.075853
  H      -8.928095     -3.747595      6.610377
  H      -8.382587     -4.650406      8.049643
  H      -8.126925     -6.777460      4.409401
  H      -9.284440     -5.462927      4.584463
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  H      -9.101410     -4.556568      2.370573
  H      -8.549366     -3.057219      4.091853
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  H      -6.901224     -2.734219      3.491573
  H      -3.955823     -6.936210      9.333363
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  H      -3.833338     -7.169797      5.898381
  H      -2.714840     -8.450405      6.405149
  H      -4.226931     -8.178519      7.324323
  H      -0.899243     -5.549791      7.824726
  H      -0.881291     -6.721966      6.512968
  H       0.188834     -4.971727      5.137845
  H       0.072577     -3.794584      6.458647
  H      -0.622358     -3.405612      4.862084
  H      -3.536705     -4.015967      7.155324
  H      -1.945652     -3.497894      7.755627
  H      -2.622021     -2.777299      6.276050
  N      -4.711735     -3.100921      5.048401
  N      -5.014653     -2.264332      5.920145
  H      -5.953154     -1.859954      5.760210
86
Coordinates from ORCA-job orca E -5476.191317042897
  N      -3.684886     -3.267419      2.288288
  C      -3.576744     -4.033726      1.035258
  C      -2.942658     -5.385396      1.282927
  N      -3.642371     -6.045206      2.402119
  C      -4.893116     -6.708756      1.979071
  C      -5.853535     -6.669774      3.151186
  N      -5.991453     -5.283588      3.613439
  Mo     -4.211219     -4.359891      3.886837
  N      -2.628075     -5.201106      4.856803
  C      -1.861402     -6.166134      4.052673
  C      -2.765439     -6.966102      3.146075
  H      -1.325787     -6.882847      4.695702
  H      -1.081205     -5.659353      3.452879
  H      -3.405647     -7.623204      3.750285
  H      -2.185127     -7.601872      2.451370
  H      -6.813995     -7.101949      2.836161
  H      -5.488626     -7.327273      3.963751
  H      -5.323368     -6.133361      1.148225
  H      -4.685599     -7.736085      1.626126
  H      -2.955146     -3.513016      0.290811
  H      -4.571656     -4.158200      0.564821
  H      -1.894507     -5.237642      1.577311
  H      -2.962266     -6.023018      0.379577
  C      -1.299918      0.383654      0.554702
  C      -1.300198     -0.286601      1.716621
  C      -0.691988      0.301667      2.960960
  C      -1.861503     -1.685735      1.831397
  C      -3.406080     -1.818060      2.076593
  C      -4.215312     -1.269969      0.886274
  C      -3.791393     -0.991893      3.295544
  C      -6.715322     -6.100707      6.672814
  C      -7.831872     -5.552499      6.172065
  C      -8.763617     -4.741250      7.029631
  C      -8.215755     -5.720740      4.719599
  C      -7.402408     -4.841683      3.708743
  C      -8.074544     -4.942293      2.320343
  C      -7.501212     -3.381834      4.138630
  C      -3.093466     -6.463720      8.891114
  C      -2.698036     -6.700072      7.631067
  C      -3.405628     -7.698699      6.759945
  C      -1.521017     -5.983611      7.023313
  C      -1.838074     -4.785982      6.055742
  C      -0.483727     -4.189029      5.615382
  C      -2.564981     -3.723358      6.867609
  H      -0.894846      1.395312      0.482280
  H      -1.702068     -0.057685     -0.359703
  H      -1.403245      0.298278      3.799966
  H      -0.344903      1.330861      2.797779
  H       0.168128     -0.307340      3.284548
  H      -1.376838     -2.206284      2.672462
  H      -1.605674     -2.241483      0.916706
  H      -4.050545     -0.188936      0.789744
  H      -5.287117     -1.444590      1.063155
  H      -3.943887     -1.731579     -0.072338
  H      -4.865566     -1.082137      3.497965
  H      -3.250443     -1.304452      4.195592
  H      -3.569771      0.065606      3.097134
  H      -6.052775     -6.704792      6.054712
  H      -6.419327     -5.949734      7.712958
  H      -9.756570     -5.219793      7.080774
  H      -8.927265     -3.736403      6.608075
  H      -8.378214     -4.630936      8.052326
  H      -8.115913     -6.775918      4.423912
  H      -9.279993     -5.466231      4.591626
  H      -8.120124     -5.969106      1.933326
  H      -7.520080     -4.323833      1.600081
  H      -9.107658     -4.569234      2.375852
  H      -8.550533     -3.057089      4.080234
  H      -7.162272     -3.254190      5.170975
  H      -6.899242     -2.737255      3.483003
  H      -3.947312     -6.987082      9.327082
  H      -2.578689     -5.737004      9.522935
  H      -3.823288     -7.178908      5.884584
  H      -2.702085     -8.458779      6.381520
  H      -4.218711     -8.203077      7.298263
  H      -0.906644     -5.555311      7.829042
  H      -0.878067     -6.715180      6.507145
  H       0.177841     -4.935575      5.154045
  H       0.042656     -3.772009      6.485990
  H      -0.654240     -3.377527      4.891964
  H      -3.572735     -4.041986      7.152104
  H      -1.995998     -3.526087      7.787516
  H      -2.648908     -2.784920      6.310871
  N      -4.716333     -3.090820      5.042542
  N      -5.022633     -2.247650      5.905459
  H      -5.971682     -1.863219      5.758678
86
Coordinates from ORCA-job orca E -5476.191370942221
  N      -3.685227     -3.259785      2.289566
  C      -3.586171     -4.027398      1.035130
  C      -2.947687     -5.377131      1.280793
  N      -3.640513     -6.040346      2.402215
  C      -4.889521     -6.709039      1.983294
  C      -5.847202     -6.671364      3.157601
  N      -5.990219     -5.283200      3.613720
  Mo     -4.212719     -4.353817      3.887183
  N      -2.637355     -5.201799      4.862698
  C      -1.859171     -6.153717      4.053257
  C      -2.755631     -6.957497      3.142241
  H      -1.315951     -6.869136      4.691049
  H      -1.084518     -5.635608      3.455870
  H      -3.389967     -7.625357      3.740313
  H      -2.168205     -7.583189      2.444295
  H      -6.806340     -7.109816      2.847686
  H      -5.475425     -7.324534      3.970541
  H      -5.324447     -6.135975      1.153381
  H      -4.678293     -7.736033      1.631401
  H      -2.972321     -3.506415      0.284735
  H      -4.584670     -4.155281      0.573853
  H      -1.899062     -5.226197      1.571819
  H      -2.968106     -6.013990      0.376828
  C      -1.296713      0.380022      0.537934
  C      -1.290431     -0.291006      1.700030
  C      -0.668971      0.293213      2.939692
  C      -1.857332     -1.687507      1.817756
  C      -3.400577     -1.812442      2.075568
  C      -4.217054     -1.260462      0.891700
  C      -3.771319     -0.985254      3.298081
  C      -6.709483     -6.080325      6.685229
  C      -7.826997     -5.540171      6.178165
  C      -8.761927     -4.723535      7.027748
  C      -8.209276     -5.722963      4.726950
  C      -7.402566     -4.845958      3.708824
  C      -8.080400     -4.961446      2.323676
  C      -7.505767     -3.383598      4.127087
  C      -3.079210     -6.507231      8.895404
  C      -2.691498     -6.722914      7.629300
  C      -3.396830     -7.715849      6.749634
  C      -1.524511     -5.988914      7.024206
  C      -1.857211     -4.785789      6.068250
  C      -0.512058     -4.163616      5.635691
  C      -2.604673     -3.743645      6.888558
  H      -0.887664      1.389644      0.462004
  H      -1.709213     -0.058873     -0.373061
  H      -1.374309      0.295361      3.784137
  H      -0.316344      1.319882      2.773190
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  H      -1.369036     -2.212020      2.654659
  H      -1.610603     -2.242666      0.900205
  H      -4.047916     -0.180130      0.793842
  H      -5.288367     -1.429273      1.076640
  H      -3.955513     -1.723275     -0.069268
  H      -4.845043     -1.066544      3.506539
  H      -3.227971     -1.308039      4.193458
  H      -3.541347      0.071123      3.103656
  H      -6.044072     -6.687560      6.073103
  H      -6.415873     -5.920660      7.724860
  H      -9.755254     -5.200503      7.079420
  H      -8.922699     -3.720908      6.600184
  H      -8.380602     -4.607332      8.051279
  H      -8.098297     -6.779416      4.441184
  H      -9.275575     -5.478997      4.596312
  H      -8.126902     -5.992704      1.947742
  H      -7.528247     -4.350749      1.594317
  H      -9.113133     -4.587810      2.378763
  H      -8.555398     -3.062683      4.065148
  H      -7.169400     -3.249515      5.158579
  H      -6.903533     -2.741917      3.469079
  H      -3.926214     -7.042939      9.329513
  H      -2.564035     -5.786426      9.534034
  H      -3.815145     -7.193523      5.876144
  H      -2.691284     -8.471159      6.365056
  H      -4.208893     -8.228402      7.281811
  H      -0.910795     -5.561264      7.830544
  H      -0.876573     -6.707980      6.497594
  H       0.159506     -4.894888      5.163782
  H       0.009292     -3.749416      6.511137
  H      -0.696673     -3.345628      4.923565
  H      -3.612984     -4.077582      7.154964
  H      -2.050500     -3.553559      7.818851
  H      -2.691734     -2.797244      6.347124
  N      -4.719484     -3.080310      5.039166
  N      -5.025601     -2.229757      5.894641
  H      -5.976259     -1.848737      5.741670
86
Coordinates from ORCA-job orca E -5476.191421007156
  N      -3.684729     -3.251266      2.286779
  C      -3.596083     -4.021569      1.032446
  C      -2.952570     -5.369122      1.277242
  N      -3.638678     -6.032484      2.402418
  C      -4.885262     -6.708705      1.989543
  C      -5.840020     -6.669095      3.166278
  N      -5.990029     -5.278124      3.612250
  Mo     -4.218315     -4.341973      3.885493
  N      -2.654067     -5.196309      4.872776
  C      -1.860782     -6.132172      4.059438
  C      -2.745858     -6.942199      3.142243
  H      -1.309503     -6.845026      4.692919
  H      -1.091834     -5.600781      3.466224
  H      -3.373638     -7.620953      3.734730
  H      -2.148227     -7.557639      2.443810
  H      -6.797331     -7.116080      2.863302
  H      -5.460138     -7.314153      3.981928
  H      -5.324766     -6.141577      1.157862
  H      -4.670664     -7.736549      1.642186
  H      -2.991359     -3.501303      0.274394
  H      -4.598609     -4.153817      0.581397
  H      -1.903104     -5.214818      1.563895
  H      -2.974647     -6.007438      0.374272
  C      -1.291685      0.374438      0.513000
  C      -1.273936     -0.300558      1.672756
  C      -0.631477      0.274935      2.905574
  C      -1.849887     -1.693103      1.793994
  C      -3.391175     -1.806364      2.069368
  C      -4.217090     -1.247390      0.895307
  C      -3.740608     -0.977245      3.296746
  C      -6.684977     -6.051259      6.694373
  C      -7.811325     -5.528737      6.187615
  C      -8.751319     -4.714588      7.034598
  C      -8.199057     -5.725749      4.739504
  C      -7.404736     -4.850110      3.711001
  C      -8.088461     -4.980561      2.329817
  C      -7.513678     -3.384945      4.119204
  C      -3.070745     -6.567518      8.892788
  C      -2.686243     -6.754794      7.621153
  C      -3.381886     -7.740380      6.726037
  C      -1.531941     -5.993530      7.025585
  C      -1.889046     -4.782096      6.088614
  C      -0.558736     -4.120246      5.670781
  C      -2.665796     -3.775459      6.925641
  H      -0.876326      1.381276      0.434500
  H      -1.720253     -0.058249     -0.393413
  H      -1.325544      0.280476      3.759251
  H      -0.272907      1.299095      2.737221
  H       0.226465     -0.346757      3.211534
  H      -1.356276     -2.222988      2.624257
  H      -1.617093     -2.247839      0.872754
  H      -4.042351     -0.167807      0.796575
  H      -5.287349     -1.409786      1.092671
  H      -3.969557     -1.710770     -0.069283
  H      -4.813449     -1.044302      3.513975
  H      -3.194050     -1.311580      4.186149
  H      -3.497509      0.076738      3.104035
  H      -6.013798     -6.655559      6.085081
  H      -6.389528     -5.879488      7.731577
  H      -9.739775     -5.200248      7.093588
  H      -8.923279     -3.717075      6.600148
  H      -8.367757     -4.586438      8.055587
  H      -8.079432     -6.783491      4.461354
  H      -9.267882     -5.491513      4.611376
  H      -8.133384     -6.015848      1.964220
  H      -7.541229     -4.375453      1.591785
  H      -9.121750     -4.609303      2.385868
  H      -8.564103     -3.068536      4.054538
  H      -7.177977     -3.244164      5.150026
  H      -6.912716     -2.746086      3.457507
  H      -3.909452     -7.121543      9.320207
  H      -2.561661     -5.852020      9.542152
  H      -3.799880     -7.211044      5.856495
  H      -2.669980     -8.486376      6.334701
  H      -4.192590     -8.266216      7.247222
  H      -0.924509     -5.566641      7.837050
  H      -0.871526     -6.692897      6.488029
  H       0.128764     -4.826308      5.183621
  H      -0.046711     -3.711762      6.554350
  H      -0.764344     -3.292581      4.975584
  H      -3.674783     -4.131345      7.160515
  H      -2.133531     -3.607161      7.873200
  H      -2.754709     -2.813063      6.413201
  N      -4.729592     -3.063330      5.029041
  N      -5.037889     -2.201804      5.872863
  H      -5.988230     -1.823214      5.714276
86
Coordinates from ORCA-job orca E -5476.191366869481
  N      -3.686168     -3.231882      2.278377
  C      -3.619896     -4.007095      1.024453
  C      -2.962703     -5.348928      1.266208
  N      -3.633655     -6.013205      2.399636
  C      -4.874160     -6.707166      1.998923
  C      -5.823565     -6.664610      3.180519
  N      -5.990843     -5.269243      3.608096
  Mo     -4.230985     -4.316242      3.879412
  N      -2.689329     -5.181179      4.890582
  C      -1.863642     -6.082042      4.069682
  C      -2.723582     -6.906112      3.139286
  H      -1.294641     -6.787378      4.695088
  H      -1.107980     -5.522094      3.485289
  H      -3.336956     -7.605601      3.722471
  H      -2.105715     -7.500618      2.440527
  H      -6.776241     -7.129344      2.890304
  H      -5.427500     -7.292861      4.001378
  H      -5.323334     -6.153872      1.162913
  H      -4.651138     -7.736498      1.661746
  H      -3.036143     -3.487220      0.250219
  H      -4.631132     -4.149230      0.596926
  H      -1.911895     -5.184744      1.543231
  H      -2.987025     -5.990986      0.365958
  C      -1.274296      0.364100      0.466843
  C      -1.235220     -0.324793      1.617757
  C      -0.545748      0.223558      2.836880
  C      -1.835078     -1.707225      1.741018
  C      -3.371494     -1.792774      2.054881
  C      -4.216714     -1.215994      0.903826
  C      -3.672644     -0.961620      3.293620
  C      -6.629257     -5.997636      6.712647
  C      -7.772865     -5.508522      6.209867
  C      -8.718975     -4.697700      7.054303
  C      -8.175466     -5.735377      4.770348
  C      -7.411053     -4.863081      3.717482
  C      -8.108606     -5.026012      2.346953
  C      -7.536205     -3.392271      4.104406
  C      -3.059769     -6.684345      8.883825
  C      -2.679970     -6.813833      7.603591
  C      -3.352860     -7.784754      6.677163
  C      -1.552811     -5.996038      7.031468
  C      -1.959004     -4.772473      6.129668
  C      -0.662361     -4.029677      5.747873
  C      -2.798084     -3.842139      6.994879
  H      -0.841471      1.363545      0.386962
  H      -1.737709     -0.049536     -0.430798
  H      -1.214989      0.234751      3.709947
  H      -0.170387      1.241776      2.668577
  H       0.307553     -0.418644      3.113004
  H      -1.331127     -2.253780      2.553496
  H      -1.634905     -2.257183      0.810023
  H      -4.026242     -0.139011      0.802119
  H      -5.283907     -1.360943      1.130162
  H      -4.002858     -1.681819     -0.067941
  H      -4.741911     -0.997711      3.531702
  H      -3.118709     -1.320226      4.169618
  H      -3.401170      0.086145      3.103262
  H      -5.949958     -6.599429      6.109268
  H      -6.327324     -5.800346      7.743382
  H      -9.698828     -5.198171      7.128748
  H      -8.911497     -3.709270      6.607739
  H      -8.328670     -4.548247      8.069891
  H      -8.038018     -6.795025      4.507081
  H      -9.249901     -5.522148      4.651315
  H      -8.147601     -6.069148      2.003079
  H      -7.575138     -4.431232      1.590368
  H      -9.144349     -4.662546      2.407721
  H      -8.590767     -3.088844      4.040559
  H      -7.195421     -3.234264      5.131388
  H      -6.944371     -2.757704      3.429358
  H      -3.881096     -7.275689      9.295081
  H      -2.566011     -5.978717      9.555097
  H      -3.768141     -7.242036      5.814468
  H      -2.627063     -8.512047      6.275581
  H      -4.161095     -8.336280      7.174697
  H      -0.963760     -5.568334      7.855815
  H      -0.863424     -6.654659      6.478782
  H       0.057942     -4.680414      5.232145
  H      -0.171334     -3.633643      6.648500
  H      -0.911321     -3.185304      5.087331
  H      -3.803733     -4.244289      7.164779
  H      -2.310232     -3.717630      7.973314
  H      -2.899254     -2.851560      6.541157
  N      -4.751140     -3.028190      5.005883
  N      -5.064236     -2.145174      5.826452
  H      -6.013168     -1.771679      5.653038
86
Coordinates from ORCA-job orca E -5476.191479021933
  N      -3.696699     -3.242272      2.285835
  C      -3.622511     -4.011796      1.029535
  C      -2.966185     -5.355645      1.265555
  N      -3.638771     -6.024364      2.395439
  C      -4.881387     -6.713426      1.991818
  C      -5.830384     -6.673834      3.173942
  N      -5.992071     -5.280930      3.610328
  Mo     -4.226751     -4.334343      3.884682
  N      -2.660108     -5.185479      4.870516
  C      -1.856290     -6.107053      4.052476
  C      -2.733449     -6.923861      3.132464
  H      -1.294714     -6.816034      4.681078
  H      -1.094958     -5.564077      3.459608
  H      -3.351363     -7.611104      3.725727
  H      -2.128496     -7.530113      2.432565
  H      -6.784846     -7.133278      2.880804
  H      -5.437544     -7.308027      3.991655
  H      -5.328852     -6.155393      1.158071
  H      -4.661267     -7.741866      1.650192
  H      -3.034379     -3.487617      0.261401
  H      -4.631594     -4.151288      0.595908
  H      -1.915197     -5.194092      1.543313
  H      -2.990925     -5.993170      0.362215
  C      -1.285587      0.376345      0.514970
  C      -1.255453     -0.319742      1.661694
  C      -0.581355      0.223909      2.891429
  C      -1.850085     -1.705479      1.770740
  C      -3.388738     -1.800335      2.070744
  C      -4.226570     -1.224085      0.914190
  C      -3.707114     -0.975046      3.309739
  C      -6.674669     -6.034775      6.699710
  C      -7.804562     -5.523022      6.190187
  C      -8.745221     -4.702272      7.030740
  C      -8.195298     -5.734860      4.745968
  C      -7.410536     -4.863949      3.707072
  C      -8.093220     -5.011893      2.327726
  C      -7.528476     -3.393583      4.101503
  C      -3.059446     -6.585721      8.895361
  C      -2.681144     -6.762286      7.620330
  C      -3.371678     -7.749400      6.725066
  C      -1.536777     -5.985103      7.025234
  C      -1.908091     -4.771677      6.095036
  C      -0.587317     -4.084572      5.689544
  C      -2.707493     -3.788796      6.939530
  H      -0.856273      1.378187      0.446078
  H      -1.737245     -0.033696     -0.390156
  H      -1.260011      0.226868      3.757176
  H      -0.208217      1.244754      2.733443
  H       0.271422     -0.416973      3.172635
  H      -1.350632     -2.254747      2.583998
  H      -1.640515     -2.249353      0.838307
  H      -4.039548     -0.146275      0.816598
  H      -5.294806     -1.373901      1.131424
  H      -4.002816     -1.686804     -0.056590
  H      -4.776873     -1.024832      3.542271
  H      -3.153306     -1.325442      4.188936
  H      -3.447787      0.075997      3.120480
  H      -6.001333     -6.644878      6.098490
  H      -6.378277     -5.848451      7.734172
  H      -9.732188     -5.190513      7.095633
  H      -8.921741     -3.709751      6.586185
  H      -8.360069     -4.561845      8.049769
  H      -8.068128     -6.794084      4.475357
  H      -9.265944     -5.508101      4.617879
  H      -8.134209     -6.052234      1.975714
  H      -7.548422     -4.414378      1.581624
  H      -9.127658     -4.642878      2.380230
  H      -8.580495     -3.081379      4.031423
  H      -7.193319     -3.241486      5.131669
  H      -6.927231     -2.760537      3.432698
  H      -3.892587     -7.147716      9.323656
  H      -2.553584     -5.868686      9.544917
  H      -3.789030     -7.225051      5.852100
  H      -2.657360     -8.495370      6.337663
  H      -4.181309     -8.278255      7.244340
  H      -0.934684     -5.554900      7.838968
  H      -0.867047     -6.675966      6.487256
  H       0.109792     -4.772969      5.191833
  H      -0.081577     -3.681201      6.578305
  H      -0.806543     -3.250353      5.005980
  H      -3.715692     -4.162559      7.152190
  H      -2.191538     -3.632239      7.898758
  H      -2.801603     -2.817250      6.443561
  N      -4.741649     -3.057885      5.026064
  N      -5.052495     -2.191239      5.865387
  H      -6.003352     -1.817639      5.704605
86
Coordinates from ORCA-job orca E -5476.191500835375
  N      -3.696231     -3.241849      2.283624
  C      -3.621906     -4.012783      1.028547
  C      -2.964460     -5.355673      1.266041
  N      -3.637466     -6.023578      2.396484
  C      -4.879569     -6.713960      1.992715
  C      -5.830789     -6.672955      3.173032
  N      -5.992907     -5.279977      3.608704
  Mo     -4.227366     -4.332705      3.882793
  N      -2.662623     -5.182334      4.871840
  C      -1.856627     -6.102504      4.054370
  C      -2.732432     -6.921732      3.135427
  H      -1.293899     -6.809536      4.684159
  H      -1.096311     -5.558103      3.461316
  H      -3.350742     -7.606945      3.730726
  H      -2.127672     -7.529884      2.437062
  H      -6.784980     -7.131407      2.877210
  H      -5.440967     -7.306921      3.992428
  H      -5.326540     -6.158119      1.157309
  H      -4.658548     -7.742911      1.653183
  H      -3.034590     -3.488996      0.259462
  H      -4.631335     -4.153669      0.596086
  H      -1.913951     -5.192340      1.544269
  H      -2.988194     -5.994463      0.363587
  C      -1.281758      0.376667      0.514998
  C      -1.252771     -0.320971      1.660914
  C      -0.578783      0.220714      2.891837
  C      -1.848448     -1.706441      1.768216
  C      -3.387152     -1.800261      2.067551
  C      -4.223980     -1.224363      0.910223
  C      -3.705288     -0.973403      3.305592
  C      -6.664528     -6.030470      6.698330
  C      -7.797674     -5.521744      6.193442
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  C      -8.192730     -5.734763      4.750481
  C      -7.411230     -4.864031      3.708608
  C      -8.097141     -5.013251      2.331176
  C      -7.529805     -3.393944      4.101877
  C      -3.063873     -6.592705      8.891590
  C      -2.684781     -6.764505      7.616041
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  C      -1.539967     -5.985344      7.023623
  C      -1.912379     -4.769858      6.097168
  C      -0.592113     -4.080154      5.694364
  C      -2.713966     -3.789759      6.942832
  H      -0.851621      1.378246      0.447739
  H      -1.733425     -0.031716     -0.391189
  H      -1.257351      0.221668      3.757737
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  H      -3.443569      0.076690      3.115411
  H      -5.990838     -6.637224      6.093871
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  H      -8.920856     -3.714348      6.595359
  H      -8.349702     -4.564919      8.055828
  H      -8.066562     -6.793956      4.479962
  H      -9.263902     -5.508904      4.626200
  H      -8.136892     -6.053230      1.978320
  H      -7.555583     -4.413863      1.584457
  H      -9.132439     -4.646740      2.386555
  H      -8.582220     -3.083457      4.035058
  H      -7.191487     -3.239146      5.130132
  H      -6.932492     -2.760788      3.430363
  H      -3.895894     -7.157569      9.318169
  H      -2.558480     -5.877840      9.544058
  H      -3.789972     -7.222428      5.845307
  H      -2.660093     -8.495197      6.329805
  H      -4.185542     -8.278472      7.235175
  H      -0.938415     -5.557404      7.839035
  H      -0.869965     -6.674582      6.483889
  H       0.106673     -4.767115      5.196689
  H      -0.087805     -3.677455      6.584473
  H      -0.810497     -3.245475      5.011269
  H      -3.721551     -4.165510      7.153733
  H      -2.198860     -3.635254      7.902276
  H      -2.809483     -2.817921      6.449137
  N      -4.746020     -3.055266      5.021896
  N      -5.060483     -2.189011      5.859424
  H      -6.010640     -1.814696      5.692387
86
Coordinates from ORCA-job orca E -5476.191529288759
  N      -3.703708     -3.237474      2.279987
  C      -3.636782     -4.009425      1.025307
  C      -2.971017     -5.348785      1.259655
  N      -3.636677     -6.018695      2.393452
  C      -4.875956     -6.717552      1.994786
  C      -5.826673     -6.675298      3.175639
  N      -5.995686     -5.281234      3.605208
  Mo     -4.233812     -4.327325      3.879932
  N      -2.668686     -5.172064      4.871023
  C      -1.854858     -6.082965      4.050961
  C      -2.724743     -6.909447      3.132581
  H      -1.284772     -6.785334      4.679139
  H      -1.100561     -5.530556      3.457372
  H      -3.337691     -7.597486      3.730240
  H      -2.116434     -7.514404      2.434640
  H      -6.778982     -7.139390      2.882331
  H      -5.433385     -7.303099      3.998073
  H      -5.326976     -6.169428      1.156479
  H      -4.650264     -7.747268      1.660745
  H      -3.059626     -3.483557      0.250038
  H      -4.649847     -4.156453      0.603499
  H      -1.920268     -5.179585      1.533422
  H      -2.995510     -5.988521      0.357923
  C      -1.272094      0.378723      0.522915
  C      -1.239003     -0.335084      1.658630
  C      -0.547966      0.182893      2.890386
  C      -1.847364     -1.715938      1.753672
  C      -3.384462     -1.798067      2.064904
  C      -4.225527     -1.212147      0.915972
  C      -3.685530     -0.971711      3.307670
  C      -6.648682     -6.017607      6.699531
  C      -7.787237     -5.517680      6.198144
  C      -8.728206     -4.704072      7.044583
  C      -8.188678     -5.740414      4.758350
  C      -7.415743     -4.872032      3.707762
  C      -8.105767     -5.032598      2.333915
  C      -7.539960     -3.400301      4.092855
  C      -3.063623     -6.604768      8.888188
  C      -2.685343     -6.767201      7.611132
  C      -3.370184     -7.753134      6.709232
  C      -1.545776     -5.977631      7.021537
  C      -1.926489     -4.760396      6.101147
  C      -0.611596     -4.056077      5.706575
  C      -2.740479     -3.792756      6.949748
  H      -0.832572      1.376821      0.465546
  H      -1.736512     -0.012325     -0.384571
  H      -1.217985      0.176986      3.762782
  H      -0.167796      1.202958      2.745515
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  H      -4.016661     -1.680311     -0.055550
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  H      -5.974302     -6.623708      6.095239
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  H      -8.919713     -3.715906      6.597271
  H      -8.334889     -4.555515      8.058817
  H      -8.060014     -6.800487      4.492249
  H      -9.261423     -5.519749      4.638543
  H      -8.141763     -6.074650      1.986963
  H      -7.569986     -4.434665      1.582010
  H      -9.142777     -4.670878      2.391205
  H      -8.593659     -3.093972      4.026558
  H      -7.199977     -3.237801      5.119270
  H      -6.946752     -2.768991      3.415906
  H      -3.891061     -7.177354      9.313274
  H      -2.561619     -5.890207      9.543761
  H      -3.783573     -7.226693      5.836017
  H      -2.652525     -8.497203      6.324020
  H      -4.181089     -8.284091      7.224855
  H      -0.947463     -5.549622      7.839309
  H      -0.871135     -6.660470      6.479625
  H       0.094604     -4.733772      5.206466
  H      -0.112953     -3.654233      6.600318
  H      -0.834912     -3.219529      5.027483
  H      -3.747007     -4.177744      7.149901
  H      -2.233438     -3.644524      7.914281
  H      -2.839263     -2.817458      6.464420
  N      -4.757736     -3.048511      5.014990
  N      -5.076809     -2.179664      5.847910
  H      -6.028700     -1.810436      5.678929
86
Coordinates from ORCA-job orca E -5476.191557261685
  N      -3.721205     -3.230414      2.275766
  C      -3.666794     -4.002408      1.020658
  C      -2.985891     -5.335739      1.247404
  N      -3.637172     -6.010800      2.386796
  C      -4.870965     -6.724893      1.997431
  C      -5.819865     -6.682215      3.179846
  N      -6.001372     -5.286623      3.599520
  Mo     -4.245887     -4.320822      3.876209
  N      -2.674209     -5.153194      4.864734
  C      -1.849964     -6.050200      4.039709
  C      -2.712226     -6.888814      3.124662
  H      -1.266477     -6.744372      4.664582
  H      -1.107094     -5.485293      3.443185
  H      -3.315138     -7.581243      3.727670
  H      -2.099499     -7.488766      2.426391
  H      -6.768640     -7.156773      2.891506
  H      -5.419325     -7.299792      4.006441
  H      -5.329844     -6.190173      1.154713
  H      -4.636375     -7.755456      1.672312
  H      -3.108353     -3.471413      0.235388
  H      -4.685811     -4.160714      0.617636
  H      -1.934618     -5.156559      1.512767
  H      -3.012322     -5.975933      0.346116
  C      -1.253940      0.384121      0.551402
  C      -1.216069     -0.362877      1.665437
  C      -0.494106      0.105504      2.899447
  C      -1.849332     -1.734021      1.733448
  C      -3.383317     -1.794970      2.065360
  C      -4.230004     -1.189161      0.931138
  C      -3.655544     -0.971752      3.317142
  C      -6.628772     -5.997083      6.701036
  C      -7.775226     -5.512642      6.202953
  C      -8.718047     -4.700923      7.048505
  C      -8.184363     -5.753223      4.768278
  C      -7.424537     -4.889242      3.704147
  C      -8.120016     -5.070605      2.335914
  C      -7.559547     -3.414613      4.074135
  C      -3.064327     -6.603269      8.882321
  C      -2.686365     -6.759390      7.604404
  C      -3.363419     -7.751251      6.702558
  C      -1.553185     -5.959191      7.015957
  C      -1.941921     -4.741524      6.100264
  C      -0.632203     -4.022299      5.715262
  C      -2.769698     -3.785550      6.949387
  H      -0.795514      1.374749      0.515439
  H      -1.741004      0.028918     -0.359080
  H      -1.148977      0.083705      3.782961
  H      -0.098522      1.122942      2.779143
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  H      -4.045685     -1.660968     -0.043532
  H      -4.722764     -0.983752      3.565081
  H      -3.104837     -1.349674      4.186929
  H      -3.360383      0.070232      3.132641
  H      -5.952398     -6.602656      6.098855
  H      -6.320532     -5.790797      7.728264
  H      -9.692686     -5.209687      7.136920
  H      -8.922995     -3.718915      6.593086
  H      -8.318756     -4.539114      8.058485
  H      -8.050211     -6.814700      4.510798
  H      -9.259569     -5.542019      4.653764
  H      -8.148061     -6.116246      1.999438
  H      -7.594186     -4.474999      1.575302
  H      -9.160256     -4.718267      2.395314
  H      -8.615669     -3.115859      4.007155
  H      -7.218506     -3.238492      5.097975
  H      -6.972520     -2.786586      3.388430
  H      -3.886246     -7.183545      9.307503
  H      -2.567318     -5.886085      9.539081
  H      -3.774075     -7.230426      5.825036
  H      -2.641320     -8.495036      6.325109
  H      -4.174718     -8.282314      7.217461
  H      -0.958081     -5.530262      7.835586
  H      -0.874144     -6.636464      6.472726
  H       0.082770     -4.690839      5.214858
  H      -0.140984     -3.620047      6.612990
  H      -0.858878     -3.184878      5.038561
  H      -3.774268     -4.181262      7.140227
  H      -2.270737     -3.640297      7.918502
  H      -2.873552     -2.808571      6.469104
  N      -4.778189     -3.042330      5.007457
  N      -5.104223     -2.172102      5.836274
  H      -6.060185     -1.812808      5.668529
86
Coordinates from ORCA-job orca E -5476.191573318584
  N      -3.726790     -3.229652      2.276773
  C      -3.674355     -4.000452      1.020870
  C      -2.990430     -5.332862      1.244780
  N      -3.638257     -6.009923      2.385009
  C      -4.870597     -6.727350      1.997333
  C      -5.819125     -6.685553      3.179963
  N      -6.003334     -5.289775      3.597927
  Mo     -4.248966     -4.321690      3.876410
  N      -2.672253     -5.148858      4.860910
  C      -1.847771     -6.044429      4.034325
  C      -2.710228     -6.885541      3.121808
  H      -1.260636     -6.736611      4.658047
  H      -1.108244     -5.477448      3.435694
  H      -3.310923     -7.578312      3.726707
  H      -2.097921     -7.485150      2.422869
  H      -6.767027     -7.162259      2.892281
  H      -5.417239     -7.301648      4.007025
  H      -5.331274     -6.195335      1.153846
  H      -4.633563     -7.757847      1.673775
  H      -3.119975     -3.467378      0.234226
  H      -4.694399     -4.161145      0.621379
  H      -1.938930     -5.152322      1.508240
  H      -3.017835     -5.972340      0.343057
  C      -1.252168      0.385975      0.562664
  C      -1.213106     -0.368896      1.671568
  C      -0.484079      0.087549      2.906056
  C      -1.851310     -1.737947      1.733101
  C      -3.384411     -1.794981      2.069780
  C      -4.231572     -1.183188      0.939018
  C      -3.650799     -0.974248      3.324293
  C      -6.630545     -5.995329      6.700744
  C      -7.777481     -5.513279      6.201528
  C      -8.721274     -4.700755      7.044944
  C      -8.185975     -5.757513      4.767221
  C      -7.427066     -4.894436      3.701648
  C      -8.122918     -5.079805      2.333960
  C      -7.564121     -3.419276      4.068510
  C      -3.067297     -6.589074      8.881228
  C      -2.687459     -6.750885      7.604637
  C      -3.362639     -7.747564      6.706511
  C      -1.553634     -5.953389      7.014134
  C      -1.938842     -4.736734      6.095764
  C      -0.626341     -4.022797      5.709670
  C      -2.763141     -3.775291      6.942174
  H      -0.789909      1.374958      0.531865
  H      -1.744092      0.039107     -0.348591
  H      -1.135119      0.060648      3.792492
  H      -0.085644      1.104616      2.792201
  H       0.357189     -0.591741      3.122112
  H      -1.350089     -2.338223      2.508707
  H      -1.683853     -2.246700      0.771880
  H      -4.005536     -0.113510      0.836011
  H      -5.297872     -1.290657      1.187406
  H      -4.052962     -1.655266     -0.036391
  H      -4.717473     -0.982444      3.574280
  H      -3.100186     -1.356797      4.192130
  H      -3.351457      0.066931      3.142224
  H      -5.953918     -6.601074      6.099440
  H      -6.322176     -5.786665      7.727451
  H      -9.695358     -5.210726      7.134763
  H      -8.927510     -3.720024      6.587179
  H      -8.321874     -4.536038      8.054516
  H      -8.050678     -6.819380      4.511829
  H      -9.261452     -5.548070      4.652154
  H      -8.148672     -6.125898      1.998775
  H      -7.599297     -4.483813      1.572116
  H      -9.163972     -4.730207      2.393456
  H      -8.620670     -3.121934      4.000916
  H      -7.223693     -3.240578      5.092177
  H      -6.978091     -2.791673      3.381696
  H      -3.889773     -7.167424      9.307912
  H      -2.571552     -5.868821      9.535580
  H      -3.773235     -7.231099      5.826447
  H      -2.639291     -8.492217      6.333343
  H      -4.173920     -8.276791      7.223257
  H      -0.957396     -5.524165      7.832777
  H      -0.876483     -6.633209      6.471747
  H       0.087519     -4.695116      5.212604
  H      -0.135172     -3.619072      6.606804
  H      -0.848972     -3.186884      5.029868
  H      -3.767685     -4.168345      7.138245
  H      -2.261069     -3.625357      7.909017
  H      -2.866838     -2.800904      6.456454
  N      -4.782605     -3.044780      5.008847
  N      -5.109415     -2.176396      5.839529
  H      -6.066950     -1.819933      5.675037
86
Coordinates from ORCA-job orca E -5476.191591587341
  N      -3.734492     -3.227352      2.278359
  C      -3.685508     -3.996256      1.020971
  C      -2.997815     -5.327745      1.240764
  N      -3.640283     -6.007620      2.382458
  C      -4.869897     -6.730612      1.997213
  C      -5.817540     -6.690675      3.180442
  N      -6.006508     -5.294484      3.595119
  Mo     -4.254488     -4.322140      3.876174
  N      -2.671173     -5.141718      4.855788
  C      -1.845057     -6.034203      4.026852
  C      -2.706866     -6.879308      3.117545
  H      -1.251327     -6.722924      4.648366
  H      -1.111434     -5.462716      3.425342
  H      -3.303735     -7.574171      3.723830
  H      -2.094087     -7.477039      2.417299
  H      -6.763814     -7.171567      2.894459
  H      -5.412564     -7.304380      4.007799
  H      -5.333462     -6.202573      1.152756
  H      -4.628616     -7.760835      1.675872
  H      -3.137148     -3.460323      0.232288
  H      -4.706983     -4.160082      0.626497
  H      -1.945759     -5.145982      1.501018
  H      -3.027304     -5.966197      0.338441
  C      -1.247229      0.387488      0.577823
  C      -1.206367     -0.378485      1.679374
  C      -0.465472      0.059739      2.913540
  C      -1.852832     -1.743807      1.732405
  C      -3.384741     -1.794141      2.076728
  C      -4.232481     -1.172664      0.951234
  C      -3.641506     -0.977735      3.335728
  C      -6.627749     -5.985604      6.702208
  C      -7.778231     -5.513639      6.201515
  C      -8.726497     -4.702265      7.041082
  C      -8.185641     -5.766482      4.768382
  C      -7.431277     -4.904023      3.699233
  C      -8.129662     -5.096815      2.333416
  C      -7.572487     -3.427903      4.060981
  C      -3.078479     -6.568048      8.875778
  C      -2.692100     -6.738919      7.602431
  C      -3.361202     -7.742911      6.707772
  C      -1.556464     -5.945084      7.011451
  C      -1.936323     -4.729223      6.089803
  C      -0.619920     -4.022636      5.702425
  C      -2.755879     -3.760876      6.932671
  H      -0.778547      1.373600      0.553726
  H      -1.746808      0.052951     -0.333819
  H      -1.109696      0.025074      3.804952
  H      -0.062613      1.076061      2.808906
  H       0.373425     -0.627892      3.113316
  H      -1.351570     -2.353873      2.500436
  H      -1.693957     -2.244949      0.765714
  H      -3.996547     -0.105177      0.848100
  H      -5.298561     -1.269171      1.203992
  H      -4.063396     -1.645510     -0.025397
  H      -4.707152     -0.979896      3.589062
  H      -3.090708     -1.368721      4.199973
  H      -3.335203      0.062330      3.158431
  H      -5.947928     -6.588660      6.101980
  H      -6.319344     -5.770473      7.727386
  H      -9.697998     -5.216833      7.133802
  H      -8.937822     -3.724506      6.579124
  H      -8.327570     -4.530838      8.049886
  H      -8.044691     -6.828763      4.517898
  H      -9.262238     -5.563219      4.652582
  H      -8.150970     -6.143758      2.000501
  H      -7.611660     -4.499753      1.568428
  H      -9.172296     -4.752887      2.394702
  H      -8.629922     -3.134095      3.993215
  H      -7.232509     -3.245028      5.084123
  H      -6.989055     -2.800268      3.372275
  H      -3.902971     -7.143569      9.302486
  H      -2.587013     -5.842621      9.527562
  H      -3.770807     -7.232367      5.823796
  H      -2.633981     -8.486969      6.341350
  H      -4.172969     -8.271438      7.224378
  H      -0.959182     -5.515863      7.829329
  H      -0.881279     -6.627551      6.469710
  H       0.092526     -4.699884      5.209941
  H      -0.129199     -3.617105      6.598984
  H      -0.837511     -3.188530      5.018767
  H      -3.760001     -4.150414      7.136656
  H      -2.248966     -3.603288      7.895939
  H      -2.860164     -2.790075      6.439079
  N      -4.790926     -3.048359      5.010579
  N      -5.118467     -2.182628      5.844093
  H      -6.078806     -1.831561      5.685096
86
Coordinates from ORCA-job orca E -5476.191600204871
  N      -3.737340     -3.225482      2.278901
  C      -3.690507     -3.993821      1.020975
  C      -3.001245     -5.324891      1.239064
  N      -3.641207     -6.005670      2.381711
  C      -4.869250     -6.731735      1.997476
  C      -5.816630     -6.692690      3.180979
  N      -6.008446     -5.296194      3.593435
  Mo     -4.257936     -4.321292      3.875681
  N      -2.672399     -5.137464      4.854483
  C      -1.844563     -6.027705      4.024477
  C      -2.704892     -6.875122      3.116067
  H      -1.247165     -6.714359      4.644819
  H      -1.114083     -5.453300      3.421898
  H      -3.299636     -7.572103      3.721939
  H      -2.090950     -7.470899      2.415125
  H      -6.761906     -7.176088      2.895951
  H      -5.409984     -7.304884      4.008661
  H      -5.334172     -6.205481      1.152647
  H      -4.625619     -7.761701      1.677089
  H      -3.144883     -3.456984      0.231102
  H      -4.712674     -4.158784      0.628839
  H      -1.948762     -5.142879      1.497354
  H      -3.032175     -5.963090      0.336619
  C      -1.243260      0.386649      0.582170
  C      -1.201457     -0.383730      1.680612
  C      -0.455136      0.046666      2.914275
  C      -1.852278     -1.747007      1.730762
  C      -3.383615     -1.793252      2.079253
  C      -4.231853     -1.166635      0.956936
  C      -3.634222     -0.979030      3.340764
  C      -6.625624     -5.977866      6.705137
  C      -7.778593     -5.513109      6.203171
  C      -8.730775     -4.703501      7.040202
  C      -8.184856     -5.771477      4.770588
  C      -7.433860     -4.909062      3.699136
  C      -8.134060     -5.105758      2.334706
  C      -7.577308     -3.432529      4.058420
  C      -3.085682     -6.561813      8.871098
  C      -2.694088     -6.735826      7.599791
  C      -3.357499     -7.743621      6.705288
  C      -1.558249     -5.941555      7.010153
  C      -1.937072     -4.725152      6.088384
  C      -0.619727     -4.020272      5.700886
  C      -2.755342     -3.755755      6.930865
  H      -0.771551      1.371332      0.560431
  H      -1.746433      0.057340     -0.329287
  H      -1.095656      0.007666      3.808128
  H      -0.051253      1.062867      2.813704
  H       0.383352     -0.643872      3.106141
  H      -1.351112     -2.361289      2.495498
  H      -1.697713     -2.245296      0.762004
  H      -3.990853     -0.100266      0.853837
  H      -5.297789     -1.257572      1.212236
  H      -4.068054     -1.639594     -0.020538
  H      -4.699191     -0.977566      3.596757
  H      -3.082960     -1.375164      4.202445
  H      -3.323708      0.060358      3.166159
  H      -5.943432     -6.578728      6.105491
  H      -6.317643     -5.758907      7.729694
  H      -9.700368     -5.221499      7.133823
  H      -8.945571     -3.727610      6.575848
  H      -8.333031     -4.527862      8.048821
  H      -8.039378     -6.833985      4.523310
  H      -9.262225     -5.572817      4.654124
  H      -8.153098     -6.153133      2.003172
  H      -7.619395     -4.508333      1.567810
  H      -9.177491     -4.764875      2.397370
  H      -8.635395     -3.140841      3.991610
  H      -7.236605     -3.247768      5.081038
  H      -6.995891     -2.804612      3.368489
  H      -3.910851     -7.137574      9.296266
  H      -2.598256     -5.833552      9.522662
  H      -3.767089     -7.235658      5.819667
  H      -2.626448     -8.485126      6.341399
  H      -4.168762     -8.274490      7.220297
  H      -0.961122     -5.512432      7.828217
  H      -0.882906     -6.623341      6.467657
  H       0.092603     -4.698451      5.209671
  H      -0.129553     -3.614304      6.597524
  H      -0.836506     -3.186499      5.016505
  H      -3.759130     -4.144326      7.137337
  H      -2.246613     -3.595859      7.892840
  H      -2.860257     -2.785739      6.435573
  N      -4.796016     -3.048210      5.010041
  N      -5.123561     -2.182537      5.843740
  H      -6.085559     -1.835029      5.687273
86
Coordinates from ORCA-job orca E -5476.191607405030
  N      -3.738542     -3.223168      2.278931
  C      -3.694038     -3.991237      1.020737
  C      -3.003933     -5.322162      1.237408
  N      -3.642140     -6.003404      2.380946
  C      -4.868808     -6.732161      1.997412
  C      -5.815805     -6.693815      3.181337
  N      -6.010282     -5.297131      3.591719
  Mo     -4.261369     -4.319714      3.874421
  N      -2.675226     -5.133568      4.853993
  C      -1.845434     -6.021600      4.023414
  C      -2.703558     -6.870932      3.114922
  H      -1.245255     -6.706487      4.643036
  H      -1.117164     -5.444675      3.420390
  H      -3.296510     -7.570307      3.719763
  H      -2.087831     -7.464378      2.413550
  H      -6.760192     -7.179618      2.897380
  H      -5.407371     -7.304412      4.009369
  H      -5.334885     -6.207096      1.152472
  H      -4.623340     -7.761823      1.677553
  H      -3.150414     -3.454060      0.229703
  H      -4.716877     -4.156540      0.630529
  H      -1.950947     -5.140280      1.493735
  H      -3.036442     -5.960210      0.334909
  C      -1.236950      0.384039      0.583455
  C      -1.195355     -0.388347      1.680485
  C      -0.445244      0.037312      2.913499
  C      -1.850137     -1.749771      1.729688
  C      -3.381344     -1.791910      2.080413
  C      -4.229214     -1.161185      0.960281
  C      -3.627389     -0.979340      3.343924
  C      -6.619032     -5.967459      6.708694
  C      -7.775993     -5.512393      6.206689
  C      -8.732803     -4.706212      7.042146
  C      -8.182157     -5.776849      4.775129
  C      -7.436432     -4.913922      3.700639
  C      -8.139156     -5.114040      2.338064
  C      -7.582462     -3.437054      4.058232
  C      -3.096345     -6.558550      8.864198
  C      -2.697767     -6.734746      7.595348
  C      -3.353801     -7.745920      6.699466
  C      -1.561296     -5.938953      7.009118
  C      -1.939960     -4.721625      6.087949
  C      -0.622488     -4.016751      5.700964
  C      -2.758339     -3.752784      6.930497
  H      -0.762431      1.367433      0.562372
  H      -1.742461      0.057746     -0.327740
  H      -1.082905     -0.004582      3.809255
  H      -0.040874      1.053565      2.815087
  H       0.393343     -0.654767      3.100084
  H      -1.349785     -2.366653      2.492889
  H      -1.698330     -2.247198      0.760107
  H      -3.984378     -0.095635      0.857300
  H      -5.295081     -1.248015      1.217237
  H      -4.069154     -1.634154     -0.017862
  H      -4.691802     -0.974467      3.601756
  H      -3.076191     -1.380280      4.203656
  H      -3.312991      0.059364      3.171800
  H      -5.933311     -6.564649      6.109034
  H      -6.311133     -5.743647      7.732174
  H      -9.699591     -5.228928      7.136819
  H      -8.952726     -3.732497      6.575712
  H      -8.336174     -4.526004      8.050362
  H      -8.030810     -6.839366      4.530999
  H      -9.260606     -5.583949      4.658842
  H      -8.156180     -6.161910      2.007934
  H      -7.628023     -4.516318      1.569076
  H      -9.183354     -4.775907      2.402755
  H      -8.641177     -3.147826      3.993151
  H      -7.240208     -3.250601      5.079937
  H      -7.003527     -2.808636      3.366757
  H      -3.922311     -7.135422      9.286350
  H      -2.614112     -5.827595      9.516510
  H      -3.762835     -7.239920      5.812419
  H      -2.618044     -8.483877      6.337843
  H      -4.164540     -8.280674      7.211383
  H      -0.965727     -5.509884      7.828343
  H      -0.884289     -6.618914      6.466408
  H       0.090063     -4.694665      5.209951
  H      -0.132977     -3.610899      6.597977
  H      -0.839670     -3.182777      5.016884
  H      -3.761702     -4.141731      7.137938
  H      -2.248803     -3.591382      7.891832
  H      -2.864425     -2.782968      6.434822
  N      -4.801404     -3.047398      5.008533
  N      -5.129191     -2.181195      5.841562
  H      -6.093594     -1.838993      5.687912
86
Coordinates from ORCA-job orca E -5476.191611677010
  N      -3.738024     -3.222047      2.278919
  C      -3.694633     -3.990265      1.020792
  C      -3.004706     -5.321300      1.237011
  N      -3.642779     -6.002405      2.380833
  C      -4.869110     -6.731875      1.997190
  C      -5.816160     -6.693673      3.181171
  N      -6.011584     -5.296931      3.590843
  Mo     -4.263135     -4.318698      3.873613
  N      -2.677429     -5.132002      4.854394
  C      -1.847000     -6.019478      4.023927
  C      -2.703827     -6.869459      3.114928
  H      -1.246349     -6.703784      4.643733
  H      -1.118933     -5.442174      3.420910
  H      -3.296348     -7.569780      3.719067
  H      -2.087083     -7.461892      2.413618
  H      -6.760210     -7.180213      2.897313
  H      -5.407375     -7.303623      4.009527
  H      -5.335399     -6.206701      1.152442
  H      -4.623233     -7.761339      1.677128
  H      -3.151175     -3.453421      0.229348
  H      -4.717739     -4.155002      0.631063
  H      -1.951460     -5.139809      1.492518
  H      -3.038015     -5.959299      0.334494
  C      -1.233053      0.381596      0.582254
  C      -1.192037     -0.390213      1.679517
  C      -0.441619      0.035559      2.912251
  C      -1.848230     -1.750960      1.729367
  C      -3.379507     -1.791208      2.080231
  C      -4.227065     -1.159151      0.960940
  C      -3.623725     -0.978991      3.344494
  C      -6.617441     -5.963943      6.710593
  C      -7.775781     -5.512345      6.208450
  C      -8.734717     -4.708056      7.043476
  C      -8.181697     -5.778816      4.777140
  C      -7.438081     -4.915344      3.701756
  C      -8.141713     -5.115939      2.339879
  C      -7.584686     -3.438528      4.059463
  C      -3.099637     -6.558894      8.861038
  C      -2.697681     -6.735688      7.593302
  C      -3.349148     -7.749494      6.697245
  C      -1.561887     -5.937643      7.008541
  C      -1.941948     -4.719928      6.088093
  C      -0.625276     -4.013810      5.700950
  C      -2.760961     -3.752347      6.931254
  H      -0.757822      1.364628      0.560585
  H      -1.738843      0.055212     -0.328718
  H      -1.078603     -0.007171      3.808340
  H      -0.037991      1.052122      2.813823
  H       0.397779     -0.655632      3.098349
  H      -1.348512     -2.367999      2.492788
  H      -1.696948     -2.249231      0.760202
  H      -3.981518     -0.093683      0.858441
  H      -5.292935     -1.245473      1.218436
  H      -4.067868     -1.631645     -0.017642
  H      -4.687919     -0.972819      3.603430
  H      -3.072447     -1.381763      4.203341
  H      -3.307880      0.059439      3.173117
  H      -5.930347     -6.559656      6.110922
  H      -6.309898     -5.738687      7.733944
  H      -9.700519     -5.232640      7.137343
  H      -8.956282     -3.734839      6.576633
  H      -8.339170     -4.526728      8.051944
  H      -8.027768     -6.841236      4.533962
  H      -9.260547     -5.588360      4.660730
  H      -8.158799     -6.163968      2.010375
  H      -7.631122     -4.518653      1.570321
  H      -9.185923     -4.777885      2.405106
  H      -8.643633     -3.149859      3.995805
  H      -7.240920     -3.252038      5.080640
  H      -7.006738     -2.810007      3.367287
  H      -3.925108     -7.137462      9.281822
  H      -2.620581     -5.825992      9.513486
  H      -3.759079     -7.245543      5.809376
  H      -2.610313     -8.484812      6.336382
  H      -4.158387     -8.287495      7.208224
  H      -0.967567     -5.508016      7.828402
  H      -0.883274     -6.615846      6.465702
  H       0.087400     -4.690773      5.208977
  H      -0.135637     -3.608212      6.597983
  H      -0.843875     -3.179506      5.017697
  H      -3.763745     -4.142533      7.138835
  H      -2.251172     -3.590473      7.892317
  H      -2.868657     -2.782485      6.436143
  N      -4.803778     -3.045954      5.007054
  N      -5.131487     -2.178583      5.838854
  H      -6.097420     -1.839844      5.686892
86
Coordinates from ORCA-job orca E -5476.191615964004
  N      -3.737322     -3.220990      2.278789
  C      -3.694721     -3.989113      1.020650
  C      -3.005328     -5.320444      1.236301
  N      -3.643782     -6.001465      2.380085
  C      -4.870015     -6.731100      1.996034
  C      -5.817099     -6.693216      3.179993
  N      -6.013188     -5.296651      3.589825
  Mo     -4.265029     -4.317829      3.872454
  N      -2.679833     -5.130674      4.854283
  C      -1.849266     -6.018201      4.024169
  C      -2.705111     -6.868429      3.114523
  H      -1.249078     -6.702360      4.644561
  H      -1.120645     -5.441298      3.421311
  H      -3.297662     -7.569026      3.718362
  H      -2.087596     -7.460394      2.413550
  H      -6.760956     -7.180074      2.895928
  H      -5.408163     -7.302860      4.008527
  H      -5.336370     -6.205519      1.151558
  H      -4.624103     -7.760372      1.675501
  H      -3.151014     -3.452510      0.229110
  H      -4.718050     -4.153014      0.631131
  H      -1.951908     -5.139425      1.491475
  H      -3.039190     -5.958238      0.333657
  C      -1.227758      0.378420      0.581474
  C      -1.188233     -0.392127      1.679618
  C      -0.438124      0.034583      2.912191
  C      -1.845825     -1.752194      1.730428
  C      -3.377347     -1.790510      2.080138
  C      -4.223778     -1.157455      0.960833
  C      -3.621173     -0.978323      3.344695
  C      -6.613110     -5.960752      6.711152
  C      -7.773598     -5.513097      6.210356
  C      -8.734065     -4.711496      7.046307
  C      -8.180681     -5.781178      4.779660
  C      -7.440061     -4.916684      3.703076
  C      -8.145090     -5.117640      2.342151
  C      -7.587674     -3.440055      4.061371
  C      -3.104269     -6.557492      8.857573
  C      -2.698606     -6.735529      7.591160
  C      -3.345122     -7.752817      6.695589
  C      -1.563158     -5.935562      7.008051
  C      -1.944227     -4.718150      6.087584
  C      -0.628182     -4.011038      5.700257
  C      -2.763913     -3.751029      6.930701
  H      -0.751625      1.361018      0.558862
  H      -1.733380      0.051378     -0.329418
  H      -1.075115     -0.007955      3.808296
  H      -0.034834      1.051307      2.813128
  H       0.401868     -0.655662      3.099094
  H      -1.347242     -2.368999      2.494779
  H      -1.694400     -2.251915      0.761974
  H      -3.978199     -0.091909      0.859207
  H      -5.289730     -1.244144      1.217962
  H      -4.064102     -1.629231     -0.018042
  H      -4.685361     -0.970762      3.603521
  H      -3.070772     -1.382419      4.203548
  H      -3.303920      0.059714      3.173787
  H      -5.924405     -6.554275      6.110954
  H      -6.305302     -5.733840      7.734043
  H      -9.698426     -5.238533      7.140225
  H      -8.958412     -3.738901      6.579481
  H      -8.338599     -4.529167      8.054556
  H      -8.024494     -6.843346      4.536744
  H      -9.260067     -5.593110      4.664218
  H      -8.162446     -6.165905      2.013267
  H      -7.635067     -4.520760      1.571896
  H      -9.189295     -4.779420      2.408245
  H      -8.646800     -3.152055      3.998949
  H      -7.242643     -3.253602      5.082015
  H      -7.010612     -2.811291      3.368543
  H      -3.929248     -7.137593      9.277130
  H      -2.628582     -5.822225      9.509801
  H      -3.755739     -7.251991      5.806346
  H      -2.603234     -8.486012      6.336569
  H      -4.152905     -8.293519      7.206115
  H      -0.970854     -5.504998      7.828873
  H      -0.882445     -6.612464      6.466343
  H       0.084498     -4.687376      5.207477
  H      -0.138272     -3.605593      6.597197
  H      -0.847634     -3.176562      5.017517
  H      -3.766261     -4.142465      7.138284
  H      -2.254196     -3.588417      7.891589
  H      -2.873024     -2.781464      6.435558
  N      -4.806292     -3.044947      5.005503
  N      -5.134278     -2.176523      5.836002
  H      -6.102179     -1.842152      5.686388
86
Coordinates from ORCA-job orca E -5476.191620361548
  N      -3.736323     -3.220461      2.278751
  C      -3.693620     -3.988421      1.020523
  C      -3.005566     -5.320383      1.236088
  N      -3.645394     -6.001108      2.379318
  C      -4.871944     -6.729744      1.994187
  C      -5.819525     -6.692282      3.177672
  N      -6.015359     -5.295989      3.588665
  Mo     -4.266867     -4.317380      3.871326
  N      -2.682136     -5.130033      4.853932
  C      -1.852330     -6.018892      4.024627
  C      -2.708103     -6.868742      3.114543
  H      -1.253714     -6.703482      4.646065
  H      -1.122303     -5.443599      3.421916
  H      -3.301585     -7.568515      3.718442
  H      -2.090458     -7.461365      2.414294
  H      -6.763401     -7.178417      2.892458
  H      -5.411512     -7.302569      4.006196
  H      -5.337738     -6.203037      1.150091
  H      -4.626561     -7.758847      1.672741
  H      -3.148612     -3.452247      0.229530
  H      -4.716853     -4.150997      0.630225
  H      -1.952141     -5.140268      1.491839
  H      -3.039532     -5.957876      0.333240
  C      -1.222368      0.374959      0.581245
  C      -1.184855     -0.393545      1.680797
  C      -0.436415      0.035465      2.913532
  C      -1.843176     -1.753200      1.732847
  C      -3.375110     -1.790172      2.080226
  C      -4.219888     -1.156754      0.959998
  C      -3.619963     -0.977611      3.344481
  C      -6.611011     -5.961909      6.709785
  C      -7.772796     -5.515556      6.210901
  C      -8.733629     -4.716631      7.048957
  C      -8.181301     -5.782799      4.780437
  C      -7.442417     -4.916730      3.703900
  C      -8.148647     -5.116512      2.343506
  C      -7.590219     -3.440660      4.064072
  C      -3.105552     -6.554098      8.855964
  C      -2.697412     -6.734335      7.590635
  C      -3.339310     -7.756762      6.697630
  C      -1.563202     -5.932429      7.007407
  C      -1.945719     -4.716214      6.086194
  C      -0.630410     -4.008545      5.697408
  C      -2.765461     -3.748675      6.929018
  H      -0.745884      1.357355      0.557497
  H      -1.726980      0.046365     -0.329669
  H      -1.074477     -0.005982      3.808916
  H      -0.033518      1.052305      2.813300
  H       0.404089     -0.653434      3.102983
  H      -1.345947     -2.369075      2.498812
  H      -1.690744     -2.254776      0.765507
  H      -3.975152     -0.090877      0.859740
  H      -5.286129     -1.244896      1.215644
  H      -4.058166     -1.627443     -0.019088
  H      -4.684404     -0.969461      3.602386
  H      -3.070776     -1.381853      4.203993
  H      -3.302109      0.060199      3.173545
  H      -5.921534     -6.553420      6.108468
  H      -6.302812     -5.735305      7.732671
  H      -9.697163     -5.245256      7.142432
  H      -8.959773     -3.743752      6.583412
  H      -8.337747     -4.535152      8.057199
  H      -8.024601     -6.844587      4.536333
  H      -9.260957     -5.595549      4.666191
  H      -8.167375     -6.164737      2.014558
  H      -7.638147     -4.520137      1.573180
  H      -9.192435     -4.776984      2.410196
  H      -8.649407     -3.152569      4.002859
  H      -7.244109     -3.255388      5.084546
  H      -7.013503     -2.811405      3.371296
  H      -3.929322     -7.135713      9.275730
  H      -2.632954     -5.815528      9.506714
  H      -3.751935     -7.261236      5.806384
  H      -2.594428     -8.488207      6.341155
  H      -4.144740     -8.299600      7.209663
  H      -0.972511     -5.500252      7.828560
  H      -0.880673     -6.608500      6.467022
  H       0.081888     -4.684724      5.203827
  H      -0.139523     -3.602817      6.593677
  H      -0.850685     -3.174278      5.014714
  H      -3.767170     -4.141210      7.137712
  H      -2.255134     -3.584537      7.889235
  H      -2.876387     -2.779944      6.432890
  N      -4.808072     -3.043958      5.003971
  N      -5.136032     -2.174234      5.833070
  H      -6.105570     -1.843492      5.685827
86
Coordinates from ORCA-job orca E -5476.191625100425
  N      -3.735860     -3.219787      2.278303
  C      -3.692480     -3.987311      1.019772
  C      -3.006075     -5.320065      1.235520
  N      -3.647759     -6.000415      2.377905
  C      -4.874585     -6.727691      1.991278
  C      -5.822978     -6.691130      3.173948
  N      -6.018436     -5.295301      3.586964
  Mo     -4.269515     -4.316782      3.869704
  N      -2.684991     -5.128871      4.852801
  C      -1.856125     -6.019694      4.024669
  C      -2.712286     -6.868882      3.114266
  H      -1.259605     -6.704973      4.647358
  H      -1.124419     -5.446302      3.422212
  H      -3.307185     -7.567271      3.718425
  H      -2.094821     -7.462800      2.414993
  H      -6.766872     -7.176150      2.886954
  H      -5.416344     -7.302788      4.002151
  H      -5.339533     -6.199747      1.147470
  H      -4.629725     -7.756618      1.668806
  H      -3.145849     -3.451424      0.229704
  H      -4.715440     -4.148569      0.628266
  H      -1.952781     -5.140981      1.492521
  H      -3.039763     -5.957273      0.332475
  C      -1.214577      0.370745      0.582734
  C      -1.179974     -0.396239      1.683464
  C      -0.433361      0.033909      2.916873
  C      -1.839862     -1.755053      1.736041
  C      -3.372324     -1.789860      2.080506
  C      -4.214443     -1.155451      0.958706
  C      -3.618595     -0.976758      3.344140
  C      -6.606249     -5.963218      6.706989
  C      -7.770531     -5.519645      6.211606
  C      -8.731814     -4.725251      7.053319
  C      -8.181662     -5.785573      4.781637
  C      -7.445659     -4.917140      3.704883
  C      -8.154239     -5.115753      2.345499
  C      -7.594291     -3.441870      4.067574
  C      -3.108082     -6.547493      8.853917
  C      -2.696680     -6.731081      7.590127
  C      -3.332498     -7.760561      6.700825
  C      -1.563863     -5.927305      7.006553
  C      -1.947729     -4.713063      6.083817
  C      -0.633017     -4.005212      5.693198
  C      -2.767370     -3.744360      6.925799
  H      -0.737046      1.352593      0.558475
  H      -1.718084      0.041342     -0.328521
  H      -1.073033     -0.006170      3.811206
  H      -0.029885      1.050498      2.816112
  H       0.406826     -0.654706      3.108848
  H      -1.344647     -2.370571      2.503617
  H      -1.686438     -2.258086      0.769593
  H      -3.969903     -0.089368      0.860206
  H      -5.281192     -1.244418      1.211910
  H      -4.050067     -1.624952     -0.020502
  H      -4.683488     -0.967256      3.600093
  H      -3.071631     -1.381210      4.204907
  H      -3.299308      0.060574      3.173241
  H      -5.915435     -6.550962      6.103561
  H      -6.297036     -5.737018      7.729653
  H      -9.693592     -5.256937      7.147659
  H      -8.961821     -3.752266      6.589827
  H      -8.334351     -4.544549      8.061044
  H      -8.024588     -6.846822      4.535677
  H      -9.261762     -5.599393      4.669787
  H      -8.174256     -6.163853      2.016038
  H      -7.644258     -4.519309      1.574756
  H      -9.197677     -4.775361      2.413891
  H      -8.653644     -3.154145      4.007547
  H      -7.247575     -3.258058      5.088102
  H      -7.018250     -2.811380      3.375243
  H      -3.930493     -7.130600      9.274211
  H      -2.639518     -5.804561      9.502607
  H      -3.747342     -7.272469      5.806598
  H      -2.583794     -8.490226      6.348753
  H      -4.135456     -8.305113      7.214961
  H      -0.975078     -5.493086      7.828001
  H      -0.879284     -6.602782      6.468063
  H       0.078983     -4.681682      5.199478
  H      -0.141213     -3.598656      6.588593
  H      -0.853610     -3.171597      5.009870
  H      -3.768668     -4.137456      7.135654
  H      -2.256528     -3.578455      7.885370
  H      -2.879479     -2.776692      6.428054
  N      -4.810762     -3.042851      5.001884
  N      -5.138795     -2.171602      5.829313
  H      -6.110027     -1.844738      5.684620
86
Coordinates from ORCA-job orca E -5476.191629511781
  N      -3.735235     -3.219500      2.277205
  C      -3.689958     -3.986765      1.018449
  C      -3.006021     -5.320574      1.235543
  N      -3.650683     -6.000008      2.376673
  C      -4.878024     -6.724879      1.987902
  C      -5.827788     -6.689243      3.169290
  N      -6.021826     -5.293935      3.585090
  Mo     -4.271978     -4.316134      3.867820
  N      -2.688046     -5.128266      4.851560
  C      -1.860583     -6.022178      4.025269
  C      -2.718020     -6.869946      3.114698
  H      -1.267062     -6.708703      4.649442
  H      -1.126556     -5.451363      3.423298
  H      -3.315261     -7.566225      3.718995
  H      -2.101315     -7.466152      2.416689
  H      -6.771923     -7.172091      2.879616
  H      -5.423657     -7.303487      3.996817
  H      -5.341350     -6.195070      1.144375
  H      -4.634184     -7.753692      1.664123
  H      -3.140596     -3.451517      0.229921
  H      -4.712159     -4.146440      0.624441
  H      -1.953043     -5.142968      1.494760
  H      -3.038831     -5.957732      0.332439
  C      -1.206004      0.366604      0.584935
  C      -1.175190     -0.398521      1.687106
  C      -0.431904      0.033223      2.921939
  C      -1.836229     -1.756718      1.739972
  C      -3.369594     -1.789883      2.080079
  C      -4.207998     -1.155171      0.955333
  C      -3.619094     -0.975779      3.342295
  C      -6.602422     -5.968165      6.702707
  C      -7.768981     -5.525964      6.211642
  C      -8.730188     -4.737000      7.058386
  C      -8.182920     -5.787914      4.781745
  C      -7.448953     -4.916299      3.706058
  C      -8.160073     -5.111882      2.347403
  C      -7.597911     -3.442276      4.073010
  C      -3.108500     -6.539152      8.853198
  C      -2.694547     -6.726868      7.590856
  C      -3.324356     -7.764365      6.706475
  C      -1.563743     -5.921386      7.005608
  C      -1.949484     -4.709619      6.080891
  C      -0.635543     -4.001908      5.687300
  C      -2.768562     -3.739418      6.921980
  H      -0.727648      1.348036      0.560410
  H      -1.707227      0.035962     -0.327085
  H      -1.074503     -0.004555      3.814296
  H      -0.027216      1.049297      2.820597
  H       0.407149     -0.655732      3.117852
  H      -1.343567     -2.371450      2.509840
  H      -1.680614     -2.261213      0.774681
  H      -3.963702     -0.088846      0.858586
  H      -5.275620     -1.244962      1.204498
  H      -4.039509     -1.623733     -0.023639
  H      -4.684755     -0.965808      3.595059
  H      -3.074756     -1.379291      4.205085
  H      -3.299116      0.061301      3.171221
  H      -5.910692     -6.551213      6.095889
  H      -6.291873     -5.744524      7.725547
  H      -9.690365     -5.271559      7.153531
  H      -8.963864     -3.763119      6.598582
  H      -8.330547     -4.558686      8.065687
  H      -8.026837     -6.848474      4.532437
  H      -9.263248     -5.601412      4.672695
  H      -8.181755     -6.159335      2.015934
  H      -7.650669     -4.514466      1.576926
  H      -9.203016     -4.770530      2.418101
  H      -8.657447     -3.154757      4.014459
  H      -7.250873     -3.261275      5.094019
  H      -7.022629     -2.809500      3.382112
  H      -3.929194     -7.123562      9.275030
  H      -2.643908     -5.791298      9.499086
  H      -3.742310     -7.285044      5.808981
  H      -2.571614     -8.492226      6.359383
  H      -4.124504     -8.310159      7.223697
  H      -0.976074     -5.484762      7.826594
  H      -0.877620     -6.596457      6.468551
  H       0.076059     -4.679040      5.193813
  H      -0.142540     -3.593836      6.581359
  H      -0.856780     -3.169451      5.002788
  H      -3.769514     -4.132478      7.133576
  H      -2.256756     -3.571564      7.880710
  H      -2.881435     -2.772843      6.422279
  N      -4.812798     -3.041404      4.999380
  N      -5.140557     -2.168359      5.824990
  H      -6.112710     -1.843754      5.681799
86
Coordinates from ORCA-job orca E -5476.191633344053
  N      -3.735420     -3.219044      2.275196
  C      -3.688173     -3.986333      1.016383
  C      -3.006035     -5.320808      1.235286
  N      -3.653222     -5.999125      2.375534
  C      -4.880810     -6.722229      1.985004
  C      -5.831853     -6.687422      3.165260
  N      -6.024796     -5.292612      3.583474
  Mo     -4.274213     -4.315023      3.865817
  N      -2.690869     -5.127192      4.850206
  C      -1.864218     -6.023750      4.025806
  C      -2.722786     -6.870176      3.115042
  H      -1.273323     -6.711385      4.651216
  H      -1.128260     -5.454784      3.424532
  H      -3.322050     -7.564821      3.719248
  H      -2.106833     -7.468366      2.418019
  H      -6.776137     -7.168487      2.873235
  H      -5.429866     -7.304145      3.992022
  H      -5.342697     -6.191100      1.141525
  H      -4.637670     -7.750993      1.660377
  H      -3.136595     -3.451689      0.229095
  H      -4.709611     -4.145108      0.620138
  H      -1.953403     -5.144131      1.496495
  H      -3.037757     -5.958379      0.332433
  C      -1.197278      0.363598      0.588318
  C      -1.170169     -0.401565      1.690589
  C      -0.429635      0.029027      2.927479
  C      -1.833114     -1.758852      1.741933
  C      -3.367287     -1.789934      2.078552
  C      -4.201989     -1.154425      0.951192
  C      -3.618949     -0.974720      3.339450
  C      -6.597535     -5.971437      6.699239
  C      -7.766930     -5.532211      6.212415
  C      -8.728936     -4.749673      7.064074
  C      -8.183362     -5.790615      4.782618
  C      -7.451784     -4.915889      3.707731
  C      -8.165681     -5.108663      2.349953
  C      -7.601525     -3.443067      4.078879
  C      -3.109853     -6.531357      8.852037
  C      -2.693249     -6.722484      7.591104
  C      -3.317353     -7.766770      6.710554
  C      -1.564084     -5.915571      7.004719
  C      -1.951672     -4.705810      6.078387
  C      -0.638558     -3.997800      5.682599
  C      -2.770782     -3.734902      6.918724
  H      -0.717540      1.344356      0.565059
  H      -1.696621      0.033597     -0.324923
  H      -1.075067     -0.007240      3.817833
  H      -0.022701      1.044237      2.827186
  H       0.407284     -0.661819      3.125831
  H      -1.343067     -2.374136      2.513007
  H      -1.675935     -2.263350      0.776942
  H      -3.956391     -0.088273      0.855494
  H      -5.270499     -1.243172      1.196854
  H      -4.030744     -1.622827     -0.027397
  H      -4.685287     -0.963564      3.589363
  H      -3.077115     -1.377691      4.203974
  H      -3.297492      0.061925      3.168304
  H      -5.904382     -6.548871      6.088781
  H      -6.285676     -5.750172      7.722150
  H      -9.686944     -5.288007      7.160375
  H      -8.967130     -3.775112      6.608088
  H      -8.327247     -4.573274      8.070914
  H      -8.027769     -6.850499      4.530320
  H      -9.263958     -5.604185      4.676347
  H      -8.187967     -6.155318      2.015914
  H      -7.658078     -4.509286      1.579711
  H      -9.208507     -4.767692      2.423671
  H      -8.661381     -3.156332      4.021766
  H      -7.254426     -3.264650      5.100448
  H      -7.027506     -2.807526      3.389549
  H      -3.929199     -7.116911      9.274949
  H      -2.649057     -5.779416      9.495895
  H      -3.737571     -7.294874      5.810192
  H      -2.560748     -8.492810      6.368203
  H      -4.115585     -8.313520      7.229771
  H      -0.977188     -5.476971      7.825196
  H      -0.876689     -6.590058      6.468529
  H       0.073248     -4.675312      5.189877
  H      -0.145162     -3.587951      6.575650
  H      -0.860623     -3.166618      4.996816
  H      -3.771812     -4.127541      7.130652
  H      -2.258909     -3.566283      7.877337
  H      -2.883222     -2.768691      6.418104
  N      -4.814829     -3.039346      4.996391
  N      -5.142413     -2.164384      5.820022
  H      -6.115224     -1.841622      5.677632
86
Coordinates from ORCA-job orca E -5476.191635763351
  N      -3.735366     -3.218973      2.273020
  C      -3.686127     -3.986772      1.014557
  C      -3.005353     -5.321603      1.235592
  N      -3.654650     -5.998659      2.375312
  C      -4.882566     -6.720262      1.983553
  C      -5.834467     -6.685639      3.163114
  N      -6.026096     -5.291136      3.582868
  Mo     -4.274784     -4.314055      3.864431
  N      -2.692400     -5.127111      4.849597
  C      -1.866388     -6.025738      4.026786
  C      -2.726008     -6.870801      3.115825
  H      -1.277670     -6.714419      4.653052
  H      -1.128762     -5.458220      3.426252
  H      -3.326874     -7.564382      3.719664
  H      -2.110825     -7.470478      2.419344
  H      -6.779026     -7.165155      2.869492
  H      -5.434162     -7.304372      3.989243
  H      -5.343234     -6.187985      1.140150
  H      -4.640247     -7.749056      1.658333
  H      -3.132546     -3.452905      0.228205
  H      -4.706788     -4.144983      0.616147
  H      -1.952997     -5.145553      1.498302
  H      -3.036048     -5.959864      0.333175
  C      -1.191939      0.362635      0.590480
  C      -1.167689     -0.402585      1.692793
  C      -0.429863      0.027324      2.931574
  C      -1.831366     -1.759634      1.742665
  C      -3.366379     -1.790137      2.076069
  C      -4.198098     -1.155095      0.946118
  C      -3.620781     -0.973791      3.335576
  C      -6.595479     -5.975435      6.697255
  C      -7.766348     -5.537279      6.213016
  C      -8.728978     -4.759229      7.068049
  C      -8.183800     -5.791736      4.782835
  C      -7.452839     -4.914631      3.709530
  C      -8.168033     -5.103986      2.351887
  C      -7.602722     -3.442884      4.084691
  C      -3.109921     -6.526790      8.851923
  C      -2.692103     -6.719996      7.591726
  C      -3.313416     -7.767735      6.713256
  C      -1.563873     -5.912565      7.004325
  C      -1.952799     -4.703793      6.077062
  C      -0.640314     -3.995627      5.679621
  C      -2.771882     -3.732732      6.917063
  H      -0.711558      1.343143      0.568371
  H      -1.689211      0.032915     -0.323969
  H      -1.077933     -0.007334      3.820068
  H      -0.020836      1.041745      2.831997
  H       0.404908     -0.665392      3.132322
  H      -1.343295     -2.375057      2.514867
  H      -1.672148     -2.263984      0.777941
  H      -3.951365     -0.089185      0.850297
  H      -5.267362     -1.242640      1.188877
  H      -4.024726     -1.624278     -0.031752
  H      -4.687677     -0.962851      3.583117
  H      -3.080415     -1.375529      4.201575
  H      -3.299276      0.062829      3.164204
  H      -5.901660     -6.548842      6.083803
  H      -6.282852     -5.757186      7.720542
  H      -9.685948     -5.299488      7.164156
  H      -8.969175     -3.783614      6.615500
  H      -8.326404     -4.585231      8.074966
  H      -8.029091     -6.851115      4.527862
  H      -9.264358     -5.604382      4.678015
  H      -8.190142     -6.149636      2.014774
  H      -7.661722     -4.502132      1.582757
  H      -9.210964     -4.763908      2.427734
  H      -8.662841     -3.156708      4.028981
  H      -7.255403     -3.267053      5.106733
  H      -7.029807     -2.804801      3.396908
  H      -3.928587     -7.112745      9.275660
  H      -2.651031     -5.772742      9.494668
  H      -3.735077     -7.299663      5.811537
  H      -2.554641     -8.492583      6.373247
  H      -4.110679     -8.315022      7.233432
  H      -0.976815     -5.472795      7.824047
  H      -0.876138     -6.586677      6.468101
  H       0.071683     -4.673435      5.187599
  H      -0.146779     -3.584255      6.571918
  H      -0.863455     -3.165498      4.992873
  H      -3.773132     -4.124742      7.128966
  H      -2.260039     -3.564072      7.875778
  H      -2.883491     -2.766372      6.416353
  N      -4.814922     -3.037507      4.994177
  N      -5.142158     -2.161175      5.816454
  H      -6.114921     -1.838595      5.673686
86
Coordinates from ORCA-job orca E -5476.191637372401
  N      -3.735939     -3.218707      2.271141
  C      -3.685794     -3.987110      1.013125
  C      -3.005105     -5.321766      1.235411
  N      -3.655020     -5.998012      2.375273
  C      -4.882988     -6.719445      1.983268
  C      -5.835013     -6.684753      3.162788
  N      -6.026362     -5.290400      3.582937
  Mo     -4.274841     -4.313176      3.863587
  N      -2.692933     -5.126699      4.849169
  C      -1.866938     -6.026033      4.027193
  C      -2.726811     -6.870523      3.116003
  H      -1.279206     -6.715144      4.653885
  H      -1.128522     -5.459011      3.427160
  H      -3.328101     -7.563992      3.719567
  H      -2.111944     -7.470544      2.419511
  H      -6.779643     -7.163950      2.868808
  H      -5.435031     -7.304126      3.988638
  H      -5.343377     -6.186911      1.139878
  H      -4.640896     -7.748260      1.657987
  H      -3.131580     -3.453686      0.226920
  H      -4.706136     -4.145459      0.613936
  H      -1.952847     -5.145559      1.498439
  H      -3.035279     -5.960741      0.333465
  C      -1.188864      0.362981      0.592444
  C      -1.166124     -0.403726      1.693719
  C      -0.429296      0.023819      2.933949
  C      -1.830833     -1.760405      1.741333
  C      -3.366206     -1.790176      2.073693
  C      -4.196446     -1.154985      0.942873
  C      -3.620975     -0.973157      3.332707
  C      -6.593995     -5.976116      6.697221
  C      -7.766054     -5.539954      6.214048
  C      -8.730086     -4.765262      7.070567
  C      -8.183480     -5.792797      4.783604
  C      -7.453033     -4.914368      3.711109
  C      -8.168716     -5.101706      2.353483
  C      -7.603227     -3.443240      4.088671
  C      -3.111305     -6.524365      8.851131
  C      -2.692328     -6.718551      7.591480
  C      -3.312191     -7.767476      6.713424
  C      -1.564112     -5.911090      7.004132
  C      -1.953568     -4.702452      6.076578
  C      -0.641406     -3.993958      5.678843
  C      -2.773035     -3.731738      6.916381
  H      -0.707780      1.343173      0.572116
  H      -1.685415      0.034872     -0.322989
  H      -1.078660     -0.010533      3.821482
  H      -0.018374      1.037553      2.835900
  H       0.403669     -0.670860      3.135033
  H      -1.343876     -2.377005      2.513245
  H      -1.671102     -2.263660      0.776100
  H      -3.947730     -0.089613      0.846191
  H      -5.266048     -1.240256      1.185015
  H      -4.023527     -1.625374     -0.034505
  H      -4.688016     -0.961810      3.579706
  H      -3.081067     -1.374687      4.199054
  H      -3.298902      0.063302      3.161216
  H      -5.899239     -6.546673      6.082165
  H      -6.281255     -5.759233      7.720703
  H      -9.686208     -5.307150      7.165754
  H      -8.971584     -3.789058      6.620009
  H      -8.327847     -4.592531      8.077854
  H      -8.028561     -6.851881      4.527543
  H      -9.264038     -5.605419      4.679159
  H      -8.189671     -6.146652      2.014184
  H      -7.663684     -4.497641      1.585325
  H      -9.212065     -4.763204      2.430604
  H      -8.663561     -3.157678      4.034019
  H      -7.255456     -3.268803      5.110848
  H      -7.031302     -2.803595      3.401640
  H      -3.929971     -7.110393      9.274796
  H      -2.653463     -5.769582      9.493742
  H      -3.733971     -7.300556      5.811138
  H      -2.552286     -8.491622      6.374443
  H      -4.109384     -8.315186      7.233294
  H      -0.977005     -5.470869      7.823559
  H      -0.876195     -6.584894      6.467806
  H       0.070995     -4.671761      5.187456
  H      -0.148302     -3.581596      6.570929
  H      -0.865320     -3.164474      4.991550
  H      -3.774565     -4.123397      7.127470
  H      -2.261770     -3.563604      7.875533
  H      -2.883800     -2.764947      6.416248
  N      -4.814824     -3.035954      4.992636
  N      -5.141896     -2.158741      5.814032
  H      -6.114809     -1.836691      5.671189
