89
Coordinates from ORCA-job orca E -5531.578440324663
  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
  H      -4.094499     -2.705028      5.764764
  H      -5.286375     -3.730660      6.184984
  H      -5.489190     -2.719409      4.925892
  N      -2.774865     -3.089710      4.408115
  N      -1.955826     -1.951799      4.633359
89
Coordinates from ORCA-job orca E -5531.701088224670
  N      -3.924699     -3.438226      2.615112
  C      -3.914366     -4.043061      1.296375
  C      -3.125650     -5.346382      1.332067
  N      -3.584545     -6.136049      2.472315
  C      -4.805544     -6.885253      2.163373
  C      -5.690212     -6.943651      3.425901
  N      -5.912041     -5.612549      3.937625
  Mo     -4.005908     -4.778649      4.107666
  N      -2.045545     -5.220682      4.506232
  C      -1.473759     -6.291473      3.716278
  C      -2.550418     -7.045736      2.952160
  H      -0.947479     -7.035062      4.340102
  H      -0.720706     -5.900864      3.004351
  H      -3.028633     -7.754276      3.635216
  H      -2.105698     -7.617882      2.120047
  H      -6.619343     -7.479223      3.177990
  H      -5.181133     -7.561952      4.183384
  H      -5.355158     -6.351384      1.387436
  H      -4.568566     -7.893495      1.789673
  H      -3.455870     -3.400848      0.534800
  H      -4.947354     -4.244349      0.961096
  H      -2.074555     -5.094510      1.496193
  H      -3.219748     -5.908544      0.389519
  C      -1.888133      0.490899      1.166906
  C      -1.665240     -0.329631      2.191005
  C      -0.843810      0.142200      3.358220
  C      -2.168816     -1.758298      2.165441
  C      -3.685609     -1.995290      2.539295
  C      -4.571532     -1.292866      1.488944
  C      -4.018196     -1.353101      3.898030
  C      -7.350964     -5.710624      6.822939
  C      -8.281256     -5.253560      5.985148
  C      -9.336351     -4.279233      6.422637
  C      -8.334308     -5.706434      4.555940
  C      -7.223233     -5.066999      3.639616
  C      -7.679609     -5.294553      2.174830
  C      -7.214393     -3.544435      3.822687
  C      -3.214501     -5.436549      8.429972
  C      -2.799700     -5.996654      7.291844
  C      -3.735938     -6.735649      6.392451
  C      -1.378920     -5.913918      6.819031
  C      -1.182910     -4.897250      5.636477
  C       0.318962     -4.895322      5.265750
  C      -1.488880     -3.512872      6.168279
  H      -1.532721      1.512006      1.165981
  H      -2.432949      0.179827      0.287856
  H      -1.350673     -0.040491      4.301656
  H      -0.627180      1.207982      3.274653
  H       0.104701     -0.400107      3.381373
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  H      -2.019689     -2.143870      1.151699
  H      -4.497353     -0.213983      1.612262
  H      -5.611481     -1.587401      1.631666
  H      -4.284854     -1.534214      0.466435
  H      -5.085404     -1.449455      4.094172
  H      -3.453736     -1.876317      4.710383
  H      -3.771267     -0.291911      3.873946
  H      -6.634789     -6.450107      6.499391
  H      -7.291460     -5.389687      7.854322
  H     -10.305862     -4.783272      6.449887
  H      -9.419846     -3.448549      5.721293
  H      -9.126237     -3.888174      7.417926
  H      -8.211132     -6.792789      4.510330
  H      -9.310720     -5.459968      4.132527
  H      -7.758480     -6.350116      1.917544
  H      -6.978289     -4.813076      1.493796
  H      -8.660264     -4.843402      2.020794
  H      -8.085964     -3.097874      3.343365
  H      -7.224424     -3.260054      4.871617
  H      -6.305374     -3.166451      3.356374
  H      -4.237390     -5.528969      8.772873
  H      -2.542195     -4.895243      9.079019
  H      -3.921582     -6.129797      5.470681
  H      -3.286987     -7.681330      6.080099
  H      -4.683536     -6.943562      6.888497
  H      -0.722670     -5.612660      7.638592
  H      -1.054690     -6.902386      6.475307
  H       0.706585     -5.895457      5.075217
  H       0.893231     -4.464425      6.085446
  H       0.479204     -4.285567      4.376149
  H      -2.552321     -3.407063      6.325201
  H      -0.968243     -3.324257      7.111035
  H      -1.156374     -2.790052      5.398649
  N      -4.829125     -3.314930      5.440669
  H      -4.126211     -2.699723      5.843386
  H      -5.317578     -3.736934      6.233317
  H      -5.505585     -2.704399      4.987598
  N      -2.766731     -3.062820      4.462548
  N      -1.874811     -2.013781      4.762686
89
Coordinates from ORCA-job orca E -5531.784488913178
  N      -3.926107     -3.400860      2.613664
  C      -3.907429     -4.018572      1.295777
  C      -3.110434     -5.316267      1.338271
  N      -3.572197     -6.111914      2.480857
  C      -4.794886     -6.866850      2.165244
  C      -5.679910     -6.927242      3.428003
  N      -5.908910     -5.589689      3.939528
  Mo     -4.006374     -4.750771      4.124634
  N      -2.039863     -5.238515      4.544882
  C      -1.470633     -6.311221      3.748412
  C      -2.542895     -7.035539      2.967644
  H      -0.962177     -7.070636      4.369282
  H      -0.702149     -5.922754      3.050786
  H      -3.036655     -7.743367      3.642496
  H      -2.098223     -7.607299      2.133361
  H      -6.608125     -7.465996      3.179201
  H      -5.170326     -7.544660      4.187526
  H      -5.344764     -6.334017      1.386135
  H      -4.552504     -7.874974      1.790810
  H      -3.449830     -3.376976      0.531817
  H      -4.938841     -4.230069      0.955747
  H      -2.058358     -5.061705      1.503879
  H      -3.201504     -5.880753      0.395644
  C      -1.912789      0.531918      1.088685
  C      -1.687645     -0.279221      2.128255
  C      -0.875364      0.204206      3.297757
  C      -2.178632     -1.710570      2.125684
  C      -3.695529     -1.944929      2.506096
  C      -4.582613     -1.269771      1.438413
  C      -4.047708     -1.268751      3.848832
  C      -7.324240     -5.687241      6.818163
  C      -8.275935     -5.256221      5.981856
  C      -9.350239     -4.300896      6.420039
  C      -8.327900     -5.724623      4.554039
  C      -7.234897     -5.065473      3.630087
  C      -7.680130     -5.311149      2.164317
  C      -7.267420     -3.540761      3.799258
  C      -3.192235     -5.495897      8.486105
  C      -2.791700     -6.044226      7.332489
  C      -3.752439     -6.733438      6.419085
  C      -1.366147     -5.999496      6.851180
  C      -1.151626     -4.961052      5.689794
  C       0.342174     -4.984885      5.286459
  C      -1.412349     -3.603236      6.276737
  H      -1.562130      1.558792      1.078301
  H      -2.453689      0.205606      0.207738
  H      -1.389082      0.022530      4.242464
  H      -0.662215      1.272817      3.207695
  H       0.077616     -0.335582      3.332965
  H      -1.594562     -2.311690      2.821568
  H      -2.026479     -2.117068      1.117990
  H      -4.513346     -0.186008      1.540137
  H      -5.625102     -1.566440      1.584282
  H      -4.291677     -1.531211      0.418669
  H      -5.122465     -1.366983      4.028515
  H      -3.479241     -1.785453      4.693037
  H      -3.808214     -0.202618      3.803793
  H      -6.592882     -6.415095      6.491358
  H      -7.259124     -5.355554      7.850307
  H     -10.311634     -4.825917      6.459358
  H      -9.459068     -3.475459      5.710855
  H      -9.141438     -3.895042      7.412776
  H      -8.179139     -6.810260      4.516501
  H      -9.313763     -5.505672      4.131050
  H      -7.734875     -6.372238      1.911182
  H      -6.986106     -4.816954      1.479978
  H      -8.672460     -4.881740      2.004701
  H      -8.151666     -3.121495      3.313233
  H      -7.289147     -3.247103      4.848597
  H      -6.367921     -3.136788      3.329607
  H      -4.223764     -5.564770      8.823649
  H      -2.502234     -4.988096      9.150159
  H      -3.924093     -6.108399      5.504519
  H      -3.326765     -7.685184      6.084674
  H      -4.709200     -6.927002      6.907630
  H      -0.692319     -5.736840      7.672077
  H      -1.075257     -6.992805      6.482822
  H       0.702305     -5.990234      5.056729
  H       0.944790     -4.592393      6.108684
  H       0.499744     -4.350149      4.410306
  H      -2.469318     -3.474402      6.459659
  H      -0.870855     -3.445601      7.219400
  H      -1.077071     -2.885519      5.464612
  N      -4.853663     -3.278495      5.467636
  H      -4.160406     -2.660441      5.880064
  H      -5.348678     -3.707775      6.257536
  H      -5.529720     -2.669950      5.011804
  N      -2.752394     -3.017212      4.471508
  N      -1.807616     -2.074737      4.791252
89
Coordinates from ORCA-job orca E -5531.852450125577
  N      -3.919283     -3.367881      2.620798
  C      -3.895028     -3.995951      1.303300
  C      -3.090654     -5.289820      1.347964
  N      -3.555412     -6.093644      2.489912
  C      -4.781099     -6.849529      2.165406
  C      -5.666778     -6.913627      3.426807
  N      -5.897801     -5.571059      3.941732
  Mo     -3.998253     -4.732731      4.144961
  N      -2.029490     -5.267581      4.584839
  C      -1.464284     -6.340794      3.778970
  C      -2.533850     -7.034058      2.979802
  H      -0.974663     -7.117639      4.394349
  H      -0.680338     -5.954008      3.096546
  H      -3.044422     -7.741846      3.643910
  H      -2.090889     -7.603859      2.141803
  H      -6.595461     -7.451283      3.174817
  H      -5.159842     -7.534046      4.186817
  H      -5.329000     -6.313282      1.385230
  H      -4.536151     -7.856520      1.786786
  H      -3.438874     -3.353809      0.537886
  H      -4.925205     -4.215768      0.959692
  H      -2.037178     -5.035159      1.514521
  H      -3.180874     -5.853968      0.404094
  C      -1.975625      0.574351      0.989081
  C      -1.719864     -0.213611      2.044738
  C      -0.897594      0.307475      3.191327
  C      -2.186132     -1.653898      2.080882
  C      -3.697972     -1.900284      2.487080
  C      -4.594012     -1.253781      1.409267
  C      -4.066471     -1.203353      3.821488
  C      -7.309559     -5.675491      6.813525
  C      -8.270423     -5.255181      5.976838
  C      -9.355834     -4.311325      6.416166
  C      -8.317257     -5.727187      4.547007
  C      -7.232106     -5.055438      3.622540
  C      -7.666796     -5.307082      2.154418
  C      -7.286965     -3.529960      3.787764
  C      -3.186198     -5.569603      8.536961
  C      -2.793133     -6.104452      7.371531
  C      -3.769333     -6.748325      6.444126
  C      -1.364647     -6.087931      6.888768
  C      -1.129597     -5.030123      5.747046
  C       0.360189     -5.071996      5.329643
  C      -1.364468     -3.691578      6.374531
  H      -1.641070      1.609185      0.953166
  H      -2.525811      0.219145      0.121343
  H      -1.393957      0.136337      4.150268
  H      -0.703055      1.379408      3.074774
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  H      -1.577821     -2.230023      2.775646
  H      -2.044367     -2.078771      1.077222
  H      -4.534473     -0.166027      1.492356
  H      -5.636144     -1.557891      1.562421
  H      -4.302571     -1.530403      0.390934
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  H      -3.496671     -1.715510      4.686523
  H      -3.839206     -0.132330      3.760853
  H      -6.569573     -6.396240      6.483132
  H      -7.242950     -5.341500      7.848286
  H     -10.314223     -4.846736      6.457301
  H      -9.476510     -3.485397      5.705412
  H      -9.150774     -3.900849      7.410250
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  H      -7.708541     -6.370746      1.899892
  H      -6.974631     -4.804578      1.470327
  H      -8.665246     -4.888367      1.990475
  H      -8.177017     -3.124080      3.296904
  H      -7.318099     -3.233891      4.838833
  H      -6.392099     -3.108150      3.319011
  H      -4.225249     -5.619631      8.865620
  H      -2.484955     -5.091739      9.216336
  H      -3.922585     -6.101345      5.540014
  H      -3.364773     -7.703397      6.087004
  H      -4.734967     -6.929865      6.922849
  H      -0.682639     -5.857293      7.714530
  H      -1.097131     -7.082685      6.500097
  H       0.701906     -6.079108      5.071118
  H       0.977348     -4.710383      6.158271
  H       0.522576     -4.416688      4.466846
  H      -2.420158     -3.546130      6.568273
  H      -0.815936     -3.554910      7.319135
  H      -1.033264     -2.986585      5.532175
  N      -4.868228     -3.253325      5.498890
  H      -4.180524     -2.635666      5.921074
  H      -5.370991     -3.688757      6.283754
  H      -5.542296     -2.644062      5.039572
  N      -2.728003     -2.992467      4.493859
  N      -1.789740     -2.160268      4.820155
89
Coordinates from ORCA-job orca E -5531.909739320478
  N      -3.915713     -3.337134      2.618303
  C      -3.889135     -3.977205      1.303751
  C      -3.077101     -5.267146      1.352712
  N      -3.541924     -6.075851      2.495433
  C      -4.770617     -6.833160      2.165605
  C      -5.654911     -6.900941      3.426353
  N      -5.886446     -5.554374      3.943158
  Mo     -3.989018     -4.713418      4.159604
  N      -2.015106     -5.292571      4.618880
  C      -1.456794     -6.366145      3.802924
  C      -2.527578     -7.030793      2.987412
  H      -0.985368     -7.160038      4.411936
  H      -0.658940     -5.983091      3.133210
  H      -3.053583     -7.737228      3.642364
  H      -2.088257     -7.599725      2.145778
  H      -6.584142     -7.438619      3.172716
  H      -5.149349     -7.523383      4.186512
  H      -5.317620     -6.294565      1.384889
  H      -4.523214     -7.839192      1.783619
  H      -3.435525     -3.337128      0.534031
  H      -4.918231     -4.206211      0.958617
  H      -2.022265     -5.012266      1.517871
  H      -3.168180     -5.833164      0.409117
  C      -2.023156      0.614729      0.913087
  C      -1.747361     -0.159717      1.976499
  C      -0.918232      0.382417      3.109257
  C      -2.196077     -1.605469      2.038184
  C      -3.702973     -1.863813      2.463683
  C      -4.609538     -1.240843      1.380867
  C      -4.083538     -1.155632      3.789777
  C      -7.293524     -5.661346      6.809949
  C      -8.261974     -5.251613      5.973764
  C      -9.356325     -4.317312      6.413712
  C      -8.305031     -5.727998      4.543174
  C      -7.227227     -5.046967      3.616296
  C      -7.654227     -5.305976      2.147240
  C      -7.301278     -3.521262      3.776605
  C      -3.177486     -5.634182      8.579207
  C      -2.790231     -6.157323      7.404656
  C      -3.779918     -6.759618      6.466779
  C      -1.360404     -6.164896      6.922809
  C      -1.109270     -5.090797      5.797070
  C       0.378006     -5.145955      5.373602
  C      -1.332008     -3.766093      6.454596
  H      -1.699002      1.654525      0.863137
  H      -2.579261      0.242347      0.053775
  H      -1.402319      0.216780      4.078086
  H      -0.734989      1.456222      2.978844
  H       0.053072     -0.132788      3.140971
  H      -1.568732     -2.163000      2.730439
  H      -2.062058     -2.042942      1.037931
  H      -4.560446     -0.149940      1.449402
  H      -5.650055     -1.553214      1.541899
  H      -4.319195     -1.527933      0.363459
  H      -5.165092     -1.272810      3.947851
  H      -3.514329     -1.657510      4.665087
  H      -3.869704     -0.080677      3.722173
  H      -6.546837     -6.375841      6.476415
  H      -7.224498     -5.324230      7.846143
  H     -10.311989     -4.861092      6.457494
  H      -9.487570     -3.492017      5.701055
  H      -9.154060     -3.901905      7.408191
  H      -8.131165     -6.812770      4.508875
  H      -9.298950     -5.534719      4.117053
  H      -7.684931     -6.371846      1.893218
  H      -6.964697     -4.797570      1.462012
  H      -8.657954     -4.897003      1.979860
  H      -8.196702     -3.127671      3.282255
  H      -7.339692     -3.222266      4.828645
  H      -6.411284     -3.084895      3.306973
  H      -4.222704     -5.666229      8.898795
  H      -2.467667     -5.183558      9.271818
  H      -3.915472     -6.091094      5.574114
  H      -3.396981     -7.716968      6.087775
  H      -4.752627     -6.928561      6.937888
  H      -0.674411     -5.960761      7.754525
  H      -1.110080     -7.159478      6.518016
  H       0.706225     -6.153263      5.093469
  H       1.003726     -4.809090      6.208755
  H       0.547596     -4.474458      4.522414
  H      -2.389988     -3.618864      6.651235
  H      -0.783568     -3.641452      7.401260
  H      -1.013445     -3.060920      5.600655
  N      -4.875794     -3.224932      5.527422
  H      -4.196526     -2.605119      5.960619
  H      -5.382754     -3.667235      6.306845
  H      -5.549397     -2.615862      5.065925
  N      -2.689674     -2.972661      4.502752
  N      -1.808012     -2.220694      4.847183
89
Coordinates from ORCA-job orca E -5531.949172944468
  N      -3.912575     -3.310157      2.613444
  C      -3.882134     -3.963721      1.302772
  C      -3.062889     -5.249090      1.357702
  N      -3.528591     -6.060212      2.500171
  C      -4.759900     -6.818287      2.164501
  C      -5.643364     -6.888914      3.422298
  N      -5.875210     -5.540128      3.941664
  Mo     -3.980920     -4.695366      4.171153
  N      -2.001639     -5.312805      4.653872
  C      -1.451905     -6.386412      3.826151
  C      -2.523384     -7.027099      2.993899
  H      -0.998066     -7.195138      4.428913
  H      -0.641412     -6.007250      3.168757
  H      -3.064584     -7.732074      3.639035
  H      -2.086693     -7.595310      2.149573
  H      -6.572881     -7.426891      3.166333
  H      -5.139733     -7.513212      4.182544
  H      -5.304703     -6.277588      1.382794
  H      -4.509542     -7.823322      1.779603
  H      -3.430543     -3.327075      0.527981
  H      -4.908993     -4.202053      0.955680
  H      -2.007005     -4.994210      1.522326
  H      -3.153812     -5.817745      0.414633
  C      -2.069617      0.648782      0.841379
  C      -1.778523     -0.111296      1.911569
  C      -0.947702      0.449607      3.034450
  C      -2.208564     -1.561316      1.998564
  C      -3.709639     -1.831994      2.439589
  C      -4.629759     -1.238049      1.352120
  C      -4.099824     -1.105819      3.753631
  C      -7.282870     -5.660278      6.803948
  C      -8.254698     -5.251648      5.970355
  C      -9.352936     -4.323531      6.414678
  C      -8.294775     -5.724211      4.537156
  C      -7.219719     -5.035991      3.610610
  C      -7.642015     -5.295706      2.140592
  C      -7.303301     -3.510818      3.773464
  C      -3.171653     -5.700228      8.617991
  C      -2.790281     -6.210781      7.435227
  C      -3.792669     -6.773761      6.488320
  C      -1.360829     -6.238940      6.953685
  C      -1.090645     -5.146978      5.845000
  C       0.395540     -5.218300      5.423089
  C      -1.296444     -3.825547      6.523144
  H      -1.756045      1.692469      0.779422
  H      -2.627414      0.259827     -0.010968
  H      -1.424162      0.288795      4.009901
  H      -0.774144      1.524505      2.893543
  H       0.029609     -0.056909      3.067852
  H      -1.562808     -2.098277      2.690367
  H      -2.078800     -2.012886      1.003909
  H      -4.593974     -0.144341      1.402747
  H      -5.666708     -1.560451      1.524038
  H      -4.341731     -1.537642      0.336673
  H      -5.181860     -1.233007      3.903401
  H      -3.537383     -1.582263      4.635895
  H      -3.899059     -0.028462      3.672019
  H      -6.533972     -6.370164      6.463705
  H      -7.209994     -5.326336      7.842709
  H     -10.308506     -4.870121      6.456887
  H      -9.489227     -3.494807      5.704880
  H      -9.152501     -3.909964      7.411593
  H      -8.115319     -6.808581      4.499587
  H      -9.291151     -5.535875      4.110957
  H      -7.667224     -6.362025      1.883491
  H      -6.954063     -4.782784      1.455344
  H      -8.648840     -4.891334      1.972577
  H      -8.201876     -3.121668      3.278823
  H      -7.345761     -3.213675      4.827361
  H      -6.416426     -3.063871      3.304288
  H      -4.221666     -5.715292      8.928641
  H      -2.454866     -5.275869      9.322218
  H      -3.909113     -6.084218      5.608784
  H      -3.431392     -7.731533      6.086478
  H      -4.770932     -6.930757      6.952901
  H      -0.671463     -6.060512      7.790382
  H      -1.128053     -7.232958      6.534134
  H       0.710347     -6.225938      5.126274
  H       1.025725     -4.904966      6.265933
  H       0.578463     -4.534196      4.583104
  H      -2.357557     -3.670383      6.718919
  H      -0.748691     -3.712555      7.470102
  H      -0.986050     -3.123024      5.669180
  N      -4.876645     -3.198806      5.557586
  H      -4.204384     -2.576131      6.003116
  H      -5.384770     -3.649768      6.330323
  H      -5.550409     -2.588864      5.095542
  N      -2.649445     -2.939821      4.517082
  N      -1.813139     -2.252679      4.862249
89
Coordinates from ORCA-job orca E -5531.977983496153
  N      -3.911319     -3.290764      2.601591
  C      -3.876115     -3.960226      1.296884
  C      -3.047422     -5.237787      1.359114
  N      -3.513070     -6.048397      2.501556
  C      -4.747415     -6.806030      2.162465
  C      -5.628630     -6.877214      3.417118
  N      -5.858835     -5.526291      3.935941
  Mo     -3.969476     -4.678088      4.176698
  N      -1.986547     -5.334167      4.684776
  C      -1.447869     -6.408062      3.844994
  C      -2.519627     -7.027563      2.995945
  H      -1.011885     -7.231608      4.441141
  H      -0.624936     -6.034006      3.199290
  H      -3.077140     -7.730198      3.630377
  H      -2.086123     -7.596249      2.149680
  H      -6.559026     -7.414474      3.161251
  H      -5.127235     -7.502251      4.178196
  H      -5.289738     -6.263750      1.379729
  H      -4.494328     -7.809993      1.775500
  H      -3.428791     -3.328569      0.514881
  H      -4.900093     -4.210581      0.948844
  H      -1.990860     -4.982323      1.522393
  H      -3.137934     -5.811021      0.417913
  C      -2.127926      0.684477      0.786018
  C      -1.827357     -0.068071      1.857558
  C      -1.006895      0.499875      2.984371
  C      -2.231144     -1.522613      1.960439
  C      -3.723918     -1.811091      2.410717
  C      -4.663419     -1.253194      1.320555
  C      -4.122532     -1.064913      3.707334
  C      -7.273769     -5.663044      6.795969
  C      -8.242736     -5.245008      5.965213
  C      -9.338305     -4.316606      6.414969
  C      -8.280309     -5.706995      4.527920
  C      -7.203128     -5.017541      3.603049
  C      -7.624174     -5.274261      2.132816
  C      -7.283472     -3.492907      3.772619
  C      -3.166445     -5.762567      8.655844
  C      -2.793735     -6.260618      7.465353
  C      -3.806939     -6.785959      6.511928
  C      -1.369131     -6.307624      6.979928
  C      -1.073116     -5.200564      5.888561
  C       0.413597     -5.295927      5.478023
  C      -1.249063     -3.870403      6.584305
  H      -1.828613      1.732802      0.723405
  H      -2.678599      0.284111     -0.066228
  H      -1.485022      0.330334      3.959624
  H      -0.843198      1.577215      2.848801
  H      -0.023907      0.003145      3.022994
  H      -1.566802     -2.037304      2.653707
  H      -2.098393     -1.985925      0.972039
  H      -4.647190     -0.157411      1.350957
  H      -5.693645     -1.590473      1.507049
  H      -4.378944     -1.565206      0.307500
  H      -5.203713     -1.201798      3.853355
  H      -3.569568     -1.506131      4.587136
  H      -3.935780      0.013172      3.606264
  H      -6.527863     -6.372081      6.447728
  H      -7.196518     -5.336859      7.837745
  H     -10.297898     -4.858023      6.450532
  H      -9.471176     -3.480786      5.711696
  H      -9.139192     -3.910989      7.416099
  H      -8.103892     -6.791856      4.483332
  H      -9.276786     -5.514728      4.101532
  H      -7.651482     -6.340088      1.871867
  H      -6.935721     -4.761188      1.447266
  H      -8.631191     -4.867950      1.965952
  H      -8.182725     -3.099987      3.280712
  H      -7.325809     -3.200084      4.828651
  H      -6.397713     -3.041262      3.303438
  H      -4.219203     -5.759822      8.959442
  H      -2.442265     -5.363707      9.368459
  H      -3.899637     -6.075957      5.647733
  H      -3.468640     -7.742478      6.085726
  H      -4.789707     -6.929984      6.970939
  H      -0.675713     -6.154691      7.819712
  H      -1.156491     -7.300824      6.546793
  H       0.713110     -6.305308      5.170625
  H       1.043319     -5.005743      6.330816
  H       0.618315     -4.603826      4.648817
  H      -2.312231     -3.693815      6.776980
  H      -0.700732     -3.778644      7.529974
  H      -0.934296     -3.168082      5.749793
  N      -4.873201     -3.173205      5.581834
  H      -4.206246     -2.548710      6.037476
  H      -5.381667     -3.632010      6.347999
  H      -5.548227     -2.563304      5.118774
  N      -2.606363     -2.912112      4.526437
  N      -1.775229     -2.242249      4.887063
89
Coordinates from ORCA-job orca E -5532.000360523105
  N      -3.909042     -3.273120      2.587781
  C      -3.868850     -3.956992      1.289828
  C      -3.031007     -5.226082      1.359410
  N      -3.497706     -6.035365      2.501523
  C      -4.735705     -6.791103      2.158731
  C      -5.613315     -6.861668      3.411061
  N      -5.839902     -5.509225      3.928749
  Mo     -3.956523     -4.658422      4.179418
  N      -1.972958     -5.354958      4.714078
  C      -1.444962     -6.427161      3.863133
  C      -2.515822     -7.026693      2.997381
  H      -1.026730     -7.264957      4.452619
  H      -0.609780     -6.058021      3.230069
  H      -3.088909     -7.727059      3.620945
  H      -2.084460     -7.595857      2.150169
  H      -6.545742     -7.396937      3.157709
  H      -5.113901     -7.487132      4.172854
  H      -5.275303     -6.247157      1.375043
  H      -4.480396     -7.793797      1.769600
  H      -3.425657     -3.330224      0.501011
  H      -4.889645     -4.218400      0.940510
  H      -1.974153     -4.970127      1.522204
  H      -3.120074     -5.803685      0.420004
  C      -2.188489      0.717639      0.733604
  C      -1.877388     -0.027215      1.806704
  C      -1.068180      0.549947      2.937088
  C      -2.254264     -1.487098      1.923190
  C      -3.736868     -1.794164      2.381742
  C      -4.695307     -1.270170      1.289323
  C      -4.141078     -1.032673      3.663205
  C      -7.262196     -5.661031      6.788725
  C      -8.229342     -5.236709      5.959733
  C      -9.324176     -4.309220      6.412447
  C      -8.263181     -5.690819      4.519662
  C      -7.186257     -4.998915      3.595736
  C      -7.605144     -5.257067      2.126333
  C      -7.270454     -3.476117      3.769749
  C      -3.161943     -5.821500      8.694096
  C      -2.799869     -6.308061      7.495364
  C      -3.823893     -6.797442      6.537086
  C      -1.381479     -6.371816      7.001915
  C      -1.061268     -5.254074      5.928300
  C       0.425264     -5.373642      5.528364
  C      -1.208353     -3.920532      6.641651
  H      -1.905023      1.770730      0.670404
  H      -2.731503      0.305182     -0.118448
  H      -1.547190      0.371198      3.911407
  H      -0.915891      1.630061      2.806892
  H      -0.079266      0.064525      2.980954
  H      -1.572914     -1.980745      2.617662
  H      -2.117537     -1.960630      0.939883
  H      -4.698850     -0.173173      1.300793
  H      -5.718143     -1.621914      1.490150
  H      -4.414430     -1.592921      0.278248
  H      -5.221317     -1.178934      3.809125
  H      -3.595493     -1.440550      4.540985
  H      -3.967476      0.045581      3.545125
  H      -6.517745     -6.368442      6.433530
  H      -7.181040     -5.340641      7.832582
  H     -10.286641     -4.846961      6.441776
  H      -9.454712     -3.468054      5.714170
  H      -9.127729     -3.909394      7.416882
  H      -8.087563     -6.775904      4.469723
  H      -9.259813     -5.497719      4.092658
  H      -7.630529     -6.323113      1.864283
  H      -6.918388     -4.742859      1.439334
  H      -8.613658     -4.853075      1.959909
  H      -8.172636     -3.084818      3.280588
  H      -7.314123     -3.186834      4.827056
  H      -6.388742     -3.017107      3.299491
  H      -4.216169     -5.801581      8.993443
  H      -2.429775     -5.446320      9.412165
  H      -3.889293     -6.065778      5.689776
  H      -3.509178     -7.751302      6.086126
  H      -4.810434     -6.927727      6.991515
  H      -0.682726     -6.241758      7.842135
  H      -1.187818     -7.363270      6.555572
  H       0.709397     -6.384710      5.210245
  H       1.053807     -5.106862      6.390347
  H       0.652129     -4.674438      4.710274
  H      -2.270862     -3.725445      6.833182
  H      -0.658273     -3.856324      7.587379
  H      -0.884774     -3.209393      5.836622
  N      -4.858469     -3.144684      5.608704
  H      -4.191573     -2.523414      6.071153
  H      -5.366728     -3.611356      6.369646
  H      -5.533318     -2.532459      5.147997
  N      -2.556030     -2.885948      4.538276
  N      -1.731930     -2.214882      4.920742
89
Coordinates from ORCA-job orca E -5532.017574565510
  N      -3.907385     -3.260579      2.573919
  C      -3.859031     -3.955886      1.282494
  C      -3.010792     -5.214952      1.359322
  N      -3.479959     -6.023067      2.499938
  C      -4.721041     -6.776620      2.151942
  C      -5.596254     -6.847517      3.402258
  N      -5.818362     -5.494372      3.920310
  Mo     -3.943669     -4.640948      4.179313
  N      -1.962253     -5.374538      4.741998
  C      -1.440852     -6.441544      3.880231
  C      -2.507904     -7.024445      2.997623
  H      -1.038078     -7.292272      4.462517
  H      -0.594459     -6.074808      3.260867
  H      -3.094105     -7.724451      3.609598
  H      -2.075809     -7.592388      2.150117
  H      -6.530841     -7.380107      3.152045
  H      -5.098723     -7.473839      4.164295
  H      -5.257256     -6.230587      1.367461
  H      -4.463092     -7.777483      1.759960
  H      -3.420081     -3.332267      0.488396
  H      -4.875789     -4.228482      0.930373
  H      -1.954726     -4.956608      1.524142
  H      -3.095085     -5.796281      0.421192
  C      -2.247386      0.739787      0.677190
  C      -1.927965      0.007996      1.756599
  C      -1.133051      0.603713      2.887761
  C      -2.280048     -1.457288      1.888346
  C      -3.753055     -1.783582      2.352231
  C      -4.728074     -1.294246      1.255759
  C      -4.164618     -1.008074      3.617741
  C      -7.255577     -5.672419      6.782067
  C      -8.215927     -5.229536      5.955253
  C      -9.303817     -4.297218      6.413875
  C      -8.246876     -5.667263      4.510200
  C      -7.165102     -4.975394      3.591590
  C      -7.584810     -5.225222      2.121990
  C      -7.241164     -3.455056      3.779194
  C      -3.160454     -5.881788      8.732219
  C      -2.808791     -6.356315      7.525067
  C      -3.841598     -6.813140      6.561620
  C      -1.396333     -6.430477      7.022052
  C      -1.057742     -5.303818      5.965752
  C       0.429614     -5.442323      5.577216
  C      -1.184014     -3.971989      6.694539
  H      -1.980375      1.797028      0.608653
  H      -2.780235      0.311016     -0.173649
  H      -1.614003      0.422322      3.861021
  H      -0.993846      1.685667      2.755354
  H      -0.137952      0.131567      2.941529
  H      -1.585757     -1.930158      2.586726
  H      -2.135942     -1.941351      0.910783
  H      -4.752552     -0.197003      1.248083
  H      -5.742969     -1.661028      1.469363
  H      -4.448306     -1.627600      0.247629
  H      -5.243744     -1.163342      3.765588
  H      -3.621845     -1.385153      4.498727
  H      -4.003976      0.070031      3.482742
  H      -6.517275     -6.381593      6.417447
  H      -7.170743     -5.364462      7.829573
  H     -10.272892     -4.824089      6.431605
  H      -9.423755     -3.445974      5.725421
  H      -9.109201     -3.910790      7.424114
  H      -8.080537     -6.753469      4.448938
  H      -9.241423     -5.463520      4.082611
  H      -7.614952     -6.289772      1.853787
  H      -6.897474     -4.710469      1.435680
  H      -8.592317     -4.816802      1.958910
  H      -8.143889     -3.055712      3.296733
  H      -7.281759     -3.175287      4.839434
  H      -6.360515     -2.993630      3.309494
  H      -4.214947     -5.847920      9.029632
  H      -2.421092     -5.527100      9.453669
  H      -3.878237     -6.059186      5.732268
  H      -3.547462     -7.762303      6.086824
  H      -4.831170     -6.931398      7.011658
  H      -0.692484     -6.319267      7.861304
  H      -1.216491     -7.418757      6.562927
  H       0.702394     -6.453727      5.249077
  H       1.054615     -5.196300      6.448244
  H       0.676708     -4.736303      4.770517
  H      -2.245046     -3.763939      6.885558
  H      -0.633631     -3.934830      7.641612
  H      -0.848617     -3.247880      5.921772
  N      -4.840007     -3.121836      5.635974
  H      -4.170925     -2.506459      6.103789
  H      -5.347152     -3.597911      6.391496
  H      -5.515221     -2.506408      5.179746
  N      -2.505004     -2.862391      4.553861
  N      -1.700443     -2.183795      4.953518
89
Coordinates from ORCA-job orca E -5532.039766490002
  N      -3.910989     -3.238697      2.560928
  C      -3.849547     -3.948699      1.279538
  C      -2.981691     -5.188519      1.363318
  N      -3.451697     -5.994702      2.501343
  C      -4.697699     -6.743380      2.145022
  C      -5.568887     -6.819328      3.393678
  N      -5.782007     -5.468047      3.920318
  Mo     -3.919651     -4.611119      4.189646
  N      -1.942421     -5.398130      4.785232
  C      -1.428125     -6.452122      3.904001
  C      -2.490486     -7.009166      2.998189
  H      -1.045251     -7.322301      4.471879
  H      -0.568114     -6.085473      3.303951
  H      -3.091340     -7.710941      3.593439
  H      -2.058011     -7.571892      2.147560
  H      -6.507727     -7.345737      3.146886
  H      -5.073576     -7.450924      4.152425
  H      -5.229746     -6.191000      1.362126
  H      -4.437712     -7.740489      1.744979
  H      -3.420555     -3.326577      0.478406
  H      -4.860263     -4.240871      0.925202
  H      -1.927440     -4.923425      1.529679
  H      -3.058921     -5.774381      0.426618
  C      -2.311004      0.749447      0.564765
  C      -1.995125      0.049656      1.667826
  C      -1.229675      0.687937      2.801551
  C      -2.319786     -1.421624      1.837229
  C      -3.784178     -1.765044      2.297219
  C      -4.771170     -1.337378      1.178895
  C      -4.220769     -0.946213      3.521320
  C      -7.257474     -5.695170      6.787044
  C      -8.201391     -5.221571      5.960173
  C      -9.279738     -4.282595      6.425199
  C      -8.221113     -5.630844      4.506682
  C      -7.129569     -4.935560      3.602933
  C      -7.546923     -5.164474      2.131115
  C      -7.194979     -3.421210      3.817203
  C      -3.181699     -6.020116      8.778523
  C      -2.830359     -6.454374      7.555063
  C      -3.857900     -6.867849      6.570635
  C      -1.423781     -6.518451      7.045344
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  C       0.435412     -5.528043      5.660825
  C      -1.160338     -4.051087      6.784609
  H      -2.061378      1.811456      0.477462
  H      -2.822039      0.287764     -0.285375
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  H      -1.103400      1.772292      2.651595
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  H      -5.776805     -1.720347      1.405754
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  H      -5.299780     -1.108478      3.666426
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  H      -6.527547     -6.406804      6.410602
  H      -7.174936     -5.409134      7.841130
  H     -10.258424     -4.792050      6.419041
  H      -9.378550     -3.414999      5.753796
  H      -9.093167     -3.919652      7.446116
  H      -8.069478     -6.717793      4.424872
  H      -9.209473     -5.408643      4.075516
  H      -7.582928     -6.224941      1.848374
  H      -6.857413     -4.644935      1.450111
  H      -8.552010     -4.749174      1.973343
  H      -8.096774     -3.008611      3.345486
  H      -7.233156     -3.160965      4.882636
  H      -6.315524     -2.955089      3.351803
  H      -4.235419     -5.988293      9.070421
  H      -2.444098     -5.694359      9.512872
  H      -3.860030     -6.069743      5.780482
  H      -3.570242     -7.794324      6.054167
  H      -4.849174     -6.989963      7.011377
  H      -0.721081     -6.438571      7.888248
  H      -1.252820     -7.492905      6.558022
  H       0.697204     -6.535738      5.314328
  H       1.047050     -5.315026      6.549674
  H       0.714546     -4.807192      4.876004
  H      -2.218916     -3.826392      6.967810
  H      -0.620423     -4.063152      7.739640
  H      -0.791473     -3.301734      6.073069
  N      -4.799221     -3.091239      5.695515
  H      -4.123080     -2.489017      6.170081
  H      -5.302852     -3.583423      6.443060
  H      -5.474470     -2.466562      5.251945
  N      -2.429157     -2.828487      4.610276
  N      -1.649882     -2.119331      4.964073
89
Coordinates from ORCA-job orca E -5532.052921063631
  N      -3.914423     -3.224058      2.536288
  C      -3.837076     -3.951250      1.264223
  C      -2.952146     -5.174929      1.363101
  N      -3.425900     -5.971115      2.501972
  C      -4.674885     -6.715941      2.143391
  C      -5.540606     -6.790079      3.392439
  N      -5.744958     -5.439037      3.918678
  Mo     -3.894112     -4.575840      4.186783
  N      -1.928575     -5.409716      4.816372
  C      -1.415781     -6.449022      3.920282
  C      -2.473569     -6.992434      2.999563
  H      -1.045840     -7.332636      4.476367
  H      -0.545287     -6.081621      3.335650
  H      -3.083022     -7.696257      3.582729
  H      -2.038438     -7.551749      2.148714
  H      -6.483442     -7.312967      3.154685
  H      -5.043743     -7.420973      4.149904
  H      -5.204859     -6.163432      1.360406
  H      -4.413564     -7.711785      1.742430
  H      -3.415855     -3.336326      0.454577
  H      -4.840976     -4.260959      0.907592
  H      -1.901170     -4.900722      1.533743
  H      -3.017695     -5.770478      0.431094
  C      -2.358739      0.766695      0.498488
  C      -2.052493      0.076654      1.604376
  C      -1.317060      0.722495      2.745420
  C      -2.359127     -1.392216      1.781820
  C      -3.815826     -1.752559      2.243398
  C      -4.818816     -1.365581      1.123100
  C      -4.265059     -0.900659      3.437515
  C      -7.245882     -5.690770      6.804660
  C      -8.179569     -5.209368      5.971389
  C      -9.261568     -4.272176      6.432156
  C      -8.187016     -5.605191      4.515141
  C      -7.096042     -4.903503      3.616675
  C      -7.516541     -5.130611      2.146098
  C      -7.161610     -3.391810      3.843581
  C      -3.198617     -6.132974      8.806405
  C      -2.856147     -6.535590      7.569325
  C      -3.884185     -6.908995      6.561548
  C      -1.452439     -6.593466      7.056922
  C      -1.065505     -5.422560      6.070288
  C       0.430340     -5.594660      5.732136
  C      -1.160446     -4.117860      6.865108
  H      -2.120651      1.827344      0.413876
  H      -2.848237      0.298224     -0.354662
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  H      -1.198744      1.803485      2.600723
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  H      -1.657183     -1.807123      2.509600
  H      -2.176781     -1.914315      0.831794
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  H      -5.815500     -1.761252      1.368152
  H      -4.535872     -1.738772      0.131631
  H      -5.340390     -1.064657      3.596192
  H      -3.737510     -1.154163      4.346152
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  H      -7.175962     -5.411357      7.859652
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  H      -9.351098     -3.397595      5.768584
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  H      -7.549164     -6.191189      1.862064
  H      -6.831532     -4.607355      1.464265
  H      -8.524543     -4.719220      1.990907
  H      -8.070613     -2.977577      3.384102
  H      -7.191462     -3.141024      4.910762
  H      -6.288310     -2.919952      3.373101
  H      -4.251737     -6.095750      9.100674
  H      -2.453015     -5.835584      9.548860
  H      -3.856892     -6.083364      5.801086
  H      -3.601714     -7.821324      6.014984
  H      -4.882254     -7.028896      6.990220
  H      -0.747089     -6.543222      7.903500
  H      -1.288465     -7.556922      6.542052
  H       0.684087     -6.598772      5.365719
  H       1.029065     -5.412535      6.638274
  H       0.735495     -4.858995      4.971021
  H      -2.217851     -3.871752      7.040627
  H      -0.635357     -4.182008      7.826510
  H      -0.746776     -3.347592      6.222339
  N      -4.748059     -3.049557      5.723768
  H      -4.058351     -2.462526      6.198159
  H      -5.250720     -3.546474      6.465995
  H      -5.420601     -2.414734      5.288777
  N      -2.358817     -2.801509      4.642037
  N      -1.579552     -2.053961      4.967259
89
Coordinates from ORCA-job orca E -5532.061512617854
  N      -3.909102     -3.222244      2.526375
  C      -3.813202     -3.953566      1.256935
  C      -2.916593     -5.166122      1.366712
  N      -3.397988     -5.960118      2.503609
  C      -4.651885     -6.698264      2.139310
  C      -5.516538     -6.773117      3.388112
  N      -5.707875     -5.422299      3.919242
  Mo     -3.865897     -4.558127      4.186488
  N      -1.916305     -5.432738      4.845528
  C      -1.398594     -6.453887      3.933067
  C      -2.450833     -6.987975      2.998737
  H      -1.033421     -7.348766      4.474453
  H      -0.522623     -6.079636      3.361397
  H      -3.063781     -7.699174      3.568890
  H      -2.010346     -7.539198      2.145298
  H      -6.464414     -7.288215      3.154765
  H      -5.021381     -7.408642      4.142389
  H      -5.178787     -6.141466      1.357675
  H      -4.391825     -7.692436      1.733555
  H      -3.395764     -3.338721      0.445591
  H      -4.810422     -4.273472      0.893815
  H      -1.869766     -4.882894      1.547998
  H      -2.965938     -5.765299      0.435588
  C      -2.442993      0.762206      0.406015
  C      -2.117282      0.111770      1.541047
  C      -1.401300      0.817042      2.670563
  C      -2.389596     -1.365291      1.752906
  C      -3.838911     -1.752015      2.218356
  C      -4.851710     -1.404903      1.092296
  C      -4.307130     -0.882067      3.391753
  C      -7.252716     -5.682497      6.824514
  C      -8.164122     -5.181223      5.979269
  C      -9.235428     -4.227976      6.429230
  C      -8.159928     -5.566000      4.520560
  C      -7.058448     -4.870409      3.633757
  C      -7.480109     -5.077638      2.160251
  C      -7.108685     -3.363194      3.880443
  C      -3.228816     -6.250769      8.818781
  C      -2.882755     -6.626258      7.575275
  C      -3.904223     -6.972905      6.549018
  C      -1.477662     -6.664056      7.067555
  C      -1.082745     -5.471919      6.110647
  C       0.420054     -5.642130      5.798069
  C      -1.187492     -4.184830      6.932505
  H      -2.235134      1.833094      0.286409
  H      -2.919995      0.248121     -0.437367
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  H      -1.311400      1.902364      2.491282
  H      -0.385614      0.399546      2.795818
  H      -1.677106     -1.752333      2.493105
  H      -2.192344     -1.900768      0.812565
  H      -4.945599     -0.314895      1.004042
  H      -5.839456     -1.816683      1.346901
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  H      -3.773933     -1.087087      4.312394
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  H      -6.790745     -4.553209      1.484036
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  H      -8.018336     -2.936384      3.434290
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  H      -4.282542     -6.218369      9.112165
  H      -2.486261     -5.965300      9.565717
  H      -3.856806     -6.130851      5.810581
  H      -3.620939     -7.872913      5.982423
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  H      -2.243194     -3.931148      7.100028
  H      -0.684228     -4.291080      7.901549
  H      -0.728496     -3.386588      6.347071
  N      -4.690621     -3.031088      5.754839
  H      -3.985614     -2.462716      6.228725
  H      -5.194588     -3.534278      6.492604
  H      -5.358499     -2.383391      5.332121
  N      -2.285339     -2.802218      4.675605
  N      -1.538242     -2.011879      4.931040
89
Coordinates from ORCA-job orca E -5532.067715572982
  N      -3.911810     -3.218815      2.502474
  C      -3.799691     -3.955728      1.235815
  C      -2.895178     -5.161066      1.362484
  N      -3.380537     -5.949636      2.502378
  C      -4.636023     -6.688509      2.142489
  C      -5.494498     -6.760274      3.395821
  N      -5.679119     -5.406943      3.921385
  Mo     -3.846575     -4.531985      4.172273
  N      -1.914924     -5.434347      4.857413
  C      -1.386388     -6.438997      3.935209
  C      -2.432693     -6.976180      2.996738
  H      -1.016258     -7.337518      4.466488
  H      -0.510598     -6.055441      3.369827
  H      -3.042238     -7.694318      3.560794
  H      -1.985666     -7.521466      2.142907
  H      -6.444938     -7.274769      3.173304
  H      -4.993999     -7.391755      4.149283
  H      -5.166649     -6.135675      1.361148
  H      -4.374534     -7.683060      1.738605
  H      -3.383631     -3.342711      0.422027
  H      -4.791883     -4.283274      0.866898
  H      -1.853491     -4.865837      1.554532
  H      -2.926588     -5.768051      0.435322
  C      -2.449919      0.778530      0.392152
  C      -2.140791      0.123332      1.517740
  C      -1.438669      0.819447      2.647866
  C      -2.418253     -1.347254      1.713915
  C      -3.864412     -1.746892      2.183822
  C      -4.882312     -1.421223      1.055775
  C      -4.339796     -0.864137      3.347234
  C      -7.236369     -5.647760      6.861116
  C      -8.143507     -5.160010      6.001637
  C      -9.224130     -4.206985      6.434552
  C      -8.131092     -5.556531      4.546089
  C      -7.036409     -4.857964      3.653891
  C      -7.464696     -5.070648      2.182386
  C      -7.092442     -3.350380      3.899295
  C      -3.249671     -6.343723      8.821361
  C      -2.906200     -6.692514      7.568422
  C      -3.924958     -7.018170      6.530627
  C      -1.500096     -6.706762      7.060957
  C      -1.109902     -5.490956      6.130404
  C       0.401208     -5.646216      5.840115
  C      -1.235029     -4.223412      6.977609
  H      -2.237422      1.840490      0.284979
  H      -2.914646      0.277851     -0.454326
  H      -1.957285      0.661092      3.604271
  H      -1.343240      1.896680      2.472905
  H      -0.429709      0.398062      2.778917
  H      -1.710794     -1.738429      2.448270
  H      -2.214720     -1.873527      0.771479
  H      -4.988527     -0.332876      0.956249
  H      -5.864341     -1.840603      1.317123
  H      -4.592652     -1.810878      0.071801
  H      -5.409298     -1.037650      3.534021
  H      -3.795526     -1.031878      4.276669
  H      -4.228830      0.192825      3.069590
  H      -6.497632     -6.363578      6.512277
  H      -7.195732     -5.359010      7.914837
  H     -10.210826     -4.698970      6.382465
  H      -9.284176     -3.330276      5.770188
  H      -9.071385     -3.857773      7.465214
  H      -8.000228     -6.645746      4.447015
  H      -9.112210     -5.315951      4.104235
  H      -7.500509     -6.129509      1.892476
  H      -6.780296     -4.543296      1.503159
  H      -8.472665     -4.656251      2.031340
  H      -8.013509     -2.930752      3.466600
  H      -7.097773     -3.112362      4.969787
  H      -6.230559     -2.877024      3.412804
  H      -4.300204     -6.321905      9.122965
  H      -2.504050     -6.069694      9.570997
  H      -3.866053     -6.166900      5.806056
  H      -3.642194     -7.910851      5.951372
  H      -4.929767     -7.140554      6.940273
  H      -0.799653     -6.687324      7.911555
  H      -1.317047     -7.643781      6.506047
  H       0.669973     -6.633871      5.443469
  H       0.964867     -5.499726      6.773503
  H       0.732155     -4.881352      5.120460
  H      -2.289868     -3.965674      7.137141
  H      -0.752937     -4.364257      7.954887
  H      -0.735330     -3.405525      6.443093
  N      -4.642887     -2.999968      5.756458
  H      -3.923005     -2.445843      6.223574
  H      -5.146012     -3.503038      6.494923
  H      -5.307773     -2.343127      5.344540
  N      -2.232506     -2.797327      4.670016
  N      -1.502643     -1.972342      4.870058
89
Coordinates from ORCA-job orca E -5532.067887899680
  N      -3.913540     -3.211416      2.500798
  C      -3.800195     -3.953272      1.235151
  C      -2.890331     -5.160892      1.364661
  N      -3.375731     -5.950168      2.504524
  C      -4.629881     -6.691563      2.142129
  C      -5.489831     -6.760644      3.395197
  N      -5.679059     -5.407117      3.920373
  Mo     -3.847711     -4.528347      4.164877
  N      -1.919646     -5.433361      4.864724
  C      -1.388882     -6.440756      3.946583
  C      -2.431048     -6.976493      3.004782
  H      -1.022954     -7.339171      4.480975
  H      -0.509832     -6.059621      3.384661
  H      -3.044054     -7.692324      3.568068
  H      -1.981752     -7.524140      2.153654
  H      -6.439398     -7.277472      3.174298
  H      -4.986918     -7.389753      4.149073
  H      -5.159423     -6.141709      1.357918
  H      -4.366561     -7.686948      1.741519
  H      -3.383723     -3.341488      0.420671
  H      -4.791623     -4.282831      0.865937
  H      -1.849294     -4.863353      1.556631
  H      -2.920305     -5.769308      0.438414
  C      -2.456014      0.783194      0.382919
  C      -2.144928      0.131099      1.510920
  C      -1.443098      0.831389      2.640028
  C      -2.420082     -1.340210      1.711516
  C      -3.865986     -1.739823      2.181790
  C      -4.884342     -1.414461      1.054063
  C      -4.340824     -0.857194      3.345229
  C      -7.240293     -5.646761      6.865773
  C      -8.145860     -5.161369      6.004255
  C      -9.228130     -4.209379      6.434949
  C      -8.131730     -5.558315      4.548970
  C      -7.037955     -4.859931      3.655274
  C      -7.468188     -5.074307      2.184609
  C      -7.094804     -3.352358      3.900124
  C      -3.251587     -6.349740      8.816994
  C      -2.907941     -6.696724      7.563536
  C      -3.925035     -7.016018      6.521116
  C      -1.503684     -6.714885      7.060435
  C      -1.112672     -5.495953      6.136000
  C       0.397766     -5.653736      5.844517
  C      -1.234209     -4.230262      6.986713
  H      -2.245336      1.846111      0.272526
  H      -2.920828      0.278889     -0.462529
  H      -1.961065      0.673984      3.597276
  H      -1.349555      1.909194      2.462494
  H      -0.433042      0.411915      2.772089
  H      -1.711785     -1.728608      2.447588
  H      -2.216262     -1.869107      0.770306
  H      -4.990595     -0.326161      0.954373
  H      -5.866356     -1.833888      1.315735
  H      -4.594943     -1.804254      0.070176
  H      -5.410317     -1.030985      3.531816
  H      -3.796637     -1.025954      4.273821
  H      -4.229894      0.199875      3.068163
  H      -6.499896     -6.362102      6.519763
  H      -7.203191     -5.356236      7.918939
  H     -10.214126     -4.702545      6.381865
  H      -9.288243     -3.333328      5.769889
  H      -9.077270     -3.859202      7.465571
  H      -7.999764     -6.647382      4.450559
  H      -9.112973     -5.318689      4.107066
  H      -7.503590     -6.133357      1.895597
  H      -6.785310     -4.547027      1.503841
  H      -8.476647     -4.660890      2.034823
  H      -8.016572     -2.933591      3.468424
  H      -7.098935     -3.113897      4.970534
  H      -6.233945     -2.878549      3.412365
  H      -4.301931     -6.324544      9.117698
  H      -2.505599     -6.080824      9.568239
  H      -3.861013     -6.164816      5.795303
  H      -3.643890     -7.908955      5.941274
  H      -4.931078     -7.135089      6.928829
  H      -0.803297     -6.700683      7.911325
  H      -1.323195     -7.650614      6.502362
  H       0.664085     -6.640658      5.444448
  H       0.962145     -5.511694      6.778157
  H       0.730165     -4.887192      5.127263
  H      -2.288543     -3.971063      7.147386
  H      -0.751519     -4.374087      7.963217
  H      -0.734832     -3.412451      6.452785
  N      -4.626863     -2.993513      5.754405
  H      -3.901550     -2.443870      6.218532
  H      -5.129131     -3.494243      6.495035
  H      -5.289956     -2.332342      5.346420
  N      -2.218851     -2.808912      4.664673
  N      -1.481555     -1.989753      4.862541
89
Coordinates from ORCA-job orca E -5532.068214645416
  N      -3.912427     -3.212601      2.500599
  C      -3.799057     -3.954389      1.234962
  C      -2.889764     -5.162121      1.364712
  N      -3.375059     -5.951079      2.504833
  C      -4.629552     -6.692232      2.143278
  C      -5.489095     -6.760718      3.396698
  N      -5.677523     -5.406880      3.921444
  Mo     -3.846022     -4.528732      4.164973
  N      -1.918442     -5.434480      4.864692
  C      -1.387317     -6.440611      3.945313
  C      -2.429760     -6.977103      3.004395
  H      -1.019830     -7.338825      4.478646
  H      -0.509445     -6.058278      3.382759
  H      -3.041900     -7.693288      3.567931
  H      -1.980699     -7.524404      2.152912
  H      -6.438958     -7.277131      3.176197
  H      -4.986281     -7.389822      4.150621
  H      -5.159337     -6.142400      1.359225
  H      -4.366635     -7.687739      1.742760
  H      -3.382424     -3.342783      0.420421
  H      -4.790537     -4.283629      0.865727
  H      -1.848761     -4.864579      1.556831
  H      -2.919533     -5.770673      0.438558
  C      -2.460893      0.783967      0.381804
  C      -2.148369      0.132322      1.510040
  C      -1.447148      0.833651      2.639198
  C      -2.421477     -1.339539      1.710775
  C      -3.866713     -1.740933      2.181885
  C      -4.886391     -1.416626      1.054866
  C      -4.341195     -0.858812      3.345639
  C      -7.244207     -5.639405      6.867893
  C      -8.148015     -5.156063      6.003443
  C      -9.231468     -4.203538      6.429810
  C      -8.130819     -5.556170      4.549031
  C      -7.035952     -4.858836      3.656042
  C      -7.465567     -5.072859      2.185108
  C      -7.091589     -3.351286      3.900671
  C      -3.248335     -6.356601      8.818188
  C      -2.905897     -6.701378      7.563509
  C      -3.924131     -7.018688      6.521013
  C      -1.502012     -6.718357      7.059098
  C      -1.112447     -5.497524      6.136352
  C       0.398241     -5.652320      5.845727
  C      -1.236810     -4.233223      6.988853
  H      -2.251824      1.847455      0.271034
  H      -2.925400      0.278661     -0.463540
  H      -1.964891      0.675533      3.596519
  H      -1.354999      1.911771      2.461490
  H      -0.436384      0.415480      2.771392
  H      -1.711992     -1.727421      2.446462
  H      -2.217759     -1.867950      0.769302
  H      -4.993690     -0.328353      0.955074
  H      -5.867901     -1.837021      1.317317
  H      -4.597420     -1.806222      0.070806
  H      -5.410348     -1.033452      3.533337
  H      -3.795971     -1.026739      4.273555
  H      -4.231269      0.198351      3.068341
  H      -6.502999     -6.355186      6.525025
  H      -7.209551     -5.346819      7.920465
  H     -10.217236     -4.697015      6.375205
  H      -9.290166     -3.328768      5.763157
  H      -9.083076     -3.851427      7.460173
  H      -7.998275     -6.645362      4.452894
  H      -9.111404     -5.317906      4.104777
  H      -7.501633     -6.131815      1.896074
  H      -6.781913     -4.546142      1.504757
  H      -8.473563     -4.658686      2.034739
  H      -8.013228     -2.931974      3.469392
  H      -7.094934     -3.112682      4.971029
  H      -6.230745     -2.878232      3.412404
  H      -4.298295     -6.332277      9.119895
  H      -2.501638     -6.088827      9.569531
  H      -3.859894     -6.166612      5.796064
  H      -3.644163     -7.911669      5.940080
  H      -4.930074     -7.137240      6.929147
  H      -0.800811     -6.705419      7.909692
  H      -1.321567     -7.653222      6.498982
  H       0.666432     -6.638218      5.444393
  H       0.961467     -5.510746      6.780161
  H       0.729942     -4.884157      5.129651
  H      -2.291455     -3.975015      7.147680
  H      -0.756342     -4.378674      7.966339
  H      -0.736524     -3.414113      6.458097
  N      -4.624519     -2.994039      5.754965
  H      -3.898707     -2.445544      6.219821
  H      -5.127717     -3.494794      6.495025
  H      -5.286696     -2.331881      5.347021
  N      -2.216747     -2.809060      4.663773
  N      -1.479351     -1.988842      4.859385
89
Coordinates from ORCA-job orca E -5532.069628889622
  N      -3.901748     -3.215578      2.493831
  C      -3.784282     -3.957459      1.228596
  C      -2.880473     -5.167609      1.363488
  N      -3.371589     -5.954155      2.502983
  C      -4.628244     -6.691044      2.140108
  C      -5.489607     -6.756715      3.392593
  N      -5.673428     -5.402218      3.918097
  Mo     -3.840621     -4.527893      4.159482
  N      -1.918676     -5.439249      4.866636
  C      -1.384310     -6.441436      3.944777
  C      -2.426871     -6.980433      3.004236
  H      -1.012279     -7.338939      4.476076
  H      -0.508824     -6.054599      3.381335
  H      -3.039270     -7.696963      3.567743
  H      -1.976654     -7.527573      2.153324
  H      -6.441223     -7.269423      3.170949
  H      -4.989859     -7.387979      4.146714
  H      -5.155434     -6.139105      1.355559
  H      -4.368302     -7.687278      1.739694
  H      -3.361924     -3.347504      0.415830
  H      -4.775145     -4.283267      0.854754
  H      -1.839918     -4.871820      1.560843
  H      -2.906323     -5.776929      0.437751
  C      -2.474295      0.784977      0.367528
  C      -2.155745      0.138372      1.499604
  C      -1.458337      0.848310      2.628592
  C      -2.419431     -1.336337      1.704415
  C      -3.862317     -1.743757      2.176964
  C      -4.884329     -1.422537      1.051031
  C      -4.336280     -0.863452      3.341930
  C      -7.234362     -5.633294      6.874108
  C      -8.141675     -5.155529      6.009828
  C      -9.231489     -4.209931      6.437188
  C      -8.122892     -5.554728      4.555123
  C      -7.031731     -4.851081      3.661953
  C      -7.466959     -5.053359      2.191353
  C      -7.084083     -3.345383      3.917329
  C      -3.253503     -6.375052      8.819952
  C      -2.912395     -6.714141      7.563453
  C      -3.932410     -7.024208      6.519228
  C      -1.508137     -6.728478      7.058574
  C      -1.119615     -5.502360      6.141345
  C       0.393133     -5.646467      5.858583
  C      -1.256874     -4.242188      6.996795
  H      -2.272923      1.851572      0.252055
  H      -2.936907      0.271985     -0.476868
  H      -1.975848      0.689947      3.586628
  H      -1.372333      1.928066      2.446792
  H      -0.444541      0.436155      2.763991
  H      -1.706052     -1.720315      2.440628
  H      -2.215146     -1.865279      0.762908
  H      -4.994059     -0.334396      0.950652
  H      -5.864734     -1.844967      1.314564
  H      -4.595405     -1.812222      0.066982
  H      -5.404677     -1.039944      3.532085
  H      -3.788521     -1.029907      4.267790
  H      -4.228715      0.193940      3.064771
  H      -6.486958     -6.343974      6.531613
  H      -7.203338     -5.341136      7.926934
  H     -10.214375     -4.709215      6.380734
  H      -9.294508     -3.333773      5.772070
  H      -9.086199     -3.858909      7.468319
  H      -7.985419     -6.643433      4.458007
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  H      -7.505061     -6.110077      1.894633
  H      -6.785029     -4.521999      1.512412
  H      -8.474859     -4.637106      2.048057
  H      -8.009428     -2.922539      3.498469
  H      -7.076593     -3.114450      4.989062
  H      -6.227919     -2.869442      3.422984
  H      -4.303446     -6.352051      9.122766
  H      -2.506046     -6.110100      9.571662
  H      -3.863995     -6.170592      5.795183
  H      -3.657128     -7.918908      5.938737
  H      -4.940456     -7.138179      6.925905
  H      -0.806714     -6.719220      7.909277
  H      -1.327114     -7.660617      6.494056
  H       0.668676     -6.629117      5.455932
  H       0.950108     -5.504680      6.796188
  H       0.724379     -4.874357      5.146289
  H      -2.313455     -3.986442      7.142051
  H      -0.790720     -4.392483      7.980298
  H      -0.749924     -3.419987      6.479396
  N      -4.619272     -2.992591      5.748100
  H      -3.891639     -2.452363      6.221093
  H      -5.132727     -3.491973      6.482604
  H      -5.272453     -2.323139      5.337118
  N      -2.208441     -2.809483      4.655091
  N      -1.471205     -1.984798      4.838159
89
Coordinates from ORCA-job orca E -5532.070887496999
  N      -3.894152     -3.218752      2.496349
  C      -3.779013     -3.958935      1.230260
  C      -2.879559     -5.171840      1.364687
  N      -3.371176     -5.958396      2.504235
  C      -4.629346     -6.692751      2.143644
  C      -5.488701     -6.757318      3.397710
  N      -5.669358     -5.402302      3.923331
  Mo     -3.834587     -4.531092      4.160110
  N      -1.916396     -5.446094      4.867499
  C      -1.380423     -6.443417      3.940919
  C      -2.424897     -6.984657      3.003099
  H      -1.001053     -7.340025      4.468304
  H      -0.510036     -6.050346      3.374306
  H      -3.035238     -7.702211      3.567613
  H      -1.975880     -7.530637      2.150748
  H      -6.441677     -7.267485      3.176081
  H      -4.989839     -7.390103      4.151070
  H      -5.157001     -6.139002      1.360468
  H      -4.372267     -7.689357      1.742300
  H      -3.354159     -3.349157      0.418583
  H      -4.770946     -4.281014      0.855838
  H      -1.838716     -4.877723      1.563145
  H      -2.905484     -5.780473      0.438646
  C      -2.496348      0.789637      0.363386
  C      -2.165922      0.144261      1.495238
  C      -1.463290      0.857877      2.621228
  C      -2.421384     -1.333015      1.702394
  C      -3.860589     -1.746518      2.183297
  C      -4.889576     -1.425656      1.063914
  C      -4.327873     -0.870625      3.353032
  C      -7.250503     -5.599700      6.882366
  C      -8.153877     -5.138654      6.005065
  C      -9.254081     -4.196557      6.412499
  C      -8.119887     -5.553376      4.554806
  C      -7.026353     -4.850168      3.664590
  C      -7.456745     -5.051704      2.192211
  C      -7.078177     -3.344518      3.919062
  C      -3.243108     -6.391057      8.822270
  C      -2.904563     -6.725839      7.563940
  C      -3.927108     -7.032193      6.521495
  C      -1.501401     -6.737138      7.055707
  C      -1.117918     -5.507309      6.141429
  C       0.395566     -5.642876      5.858135
  C      -1.264279     -4.249301      6.998825
  H      -2.301315      1.858869      0.245088
  H      -2.963425      0.272789     -0.478417
  H      -1.974834      0.696952      3.583251
  H      -1.382325      1.939156      2.437722
  H      -0.446318      0.450260      2.751635
  H      -1.700443     -1.715115      2.434433
  H      -2.222350     -1.860077      0.758481
  H      -5.000363     -0.337682      0.964894
  H      -5.868456     -1.849649      1.332484
  H      -4.605590     -1.814055      0.078153
  H      -5.394766     -1.048538      3.548554
  H      -3.775151     -1.039673      4.273799
  H      -4.222301      0.187445      3.078318
  H      -6.494327     -6.307784      6.555001
  H      -7.232196     -5.296484      7.931977
  H     -10.233056     -4.702808      6.350225
  H      -9.315590     -3.326958      5.739337
  H      -9.121522     -3.835147      7.441873
  H      -7.973726     -6.641905      4.469755
  H      -9.100091     -5.331319      4.100953
  H      -7.495225     -6.108231      1.894958
  H      -6.771187     -4.521413      1.516285
  H      -8.463395     -4.633930      2.045187
  H      -8.004327     -2.922135      3.501771
  H      -7.068050     -3.112512      4.990588
  H      -6.223270     -2.869373      3.422425
  H      -4.292461     -6.369801      9.127456
  H      -2.494896     -6.126738      9.572651
  H      -3.859501     -6.178738      5.797005
  H      -3.655301     -7.928119      5.941519
  H      -4.934626     -7.144037      6.930163
  H      -0.798355     -6.729366      7.904737
  H      -1.320010     -7.666896      6.487851
  H       0.675890     -6.623413      5.452747
  H       0.952270     -5.500573      6.795864
  H       0.722177     -4.868034      5.147356
  H      -2.322643     -3.995531      7.135562
  H      -0.806840     -4.401119      7.985911
  H      -0.755149     -3.426109      6.487999
  N      -4.610840     -2.998446      5.751106
  H      -3.881162     -2.467576      6.232314
  H      -5.133268     -3.497581      6.479881
  H      -5.255069     -2.320359      5.339901
  N      -2.199985     -2.814244      4.649269
  N      -1.464089     -1.985471      4.816458
89
Coordinates from ORCA-job orca E -5532.073648357426
  N      -3.899127     -3.223780      2.473191
  C      -3.769560     -3.962631      1.208887
  C      -2.864000     -5.161846      1.355882
  N      -3.355643     -5.943931      2.499321
  C      -4.617053     -6.677107      2.146895
  C      -5.468003     -6.742899      3.406792
  N      -5.636977     -5.385926      3.928212
  Mo     -3.812551     -4.506509      4.150603
  N      -1.910038     -5.445632      4.872416
  C      -1.363837     -6.423709      3.932827
  C      -2.405309     -6.968895      2.991449
  H      -0.977445     -7.325098      4.447255
  H      -0.494661     -6.019420      3.371986
  H      -3.008953     -7.696037      3.550270
  H      -1.951719     -7.506886      2.136427
  H      -6.424365     -7.250364      3.195314
  H      -4.965310     -7.374129      4.158004
  H      -5.150856     -6.124096      1.367830
  H      -4.360069     -7.672863      1.743439
  H      -3.350299     -3.351924      0.394344
  H      -4.756860     -4.293282      0.831537
  H      -1.828286     -4.855502      1.562561
  H      -2.874567     -5.775936      0.433022
  C      -2.506743      0.794647      0.347717
  C      -2.193593      0.147245      1.469758
  C      -1.504837      0.852973      2.592946
  C      -2.455026     -1.321850      1.665904
  C      -3.890113     -1.749638      2.152383
  C      -4.926609     -1.450187      1.034326
  C      -4.363724     -0.862251      3.313523
  C      -7.229678     -5.557132      6.916576
  C      -8.128358     -5.107644      6.025030
  C      -9.234199     -4.160905      6.413543
  C      -8.087369     -5.538298      4.579053
  C      -6.998154     -4.835549      3.684693
  C      -7.430820     -5.045198      2.213102
  C      -7.054486     -3.328652      3.935357
  C      -3.271074     -6.485549      8.817673
  C      -2.929133     -6.793644      7.552794
  C      -3.946879     -7.086876      6.503278
  C      -1.520433     -6.771785      7.046217
  C      -1.144860     -5.518688      6.155887
  C       0.378935     -5.633558      5.899433
  C      -1.320125     -4.284004      7.041250
  H      -2.306266      1.852867      0.240042
  H      -2.961743      0.291285     -0.494896
  H      -2.026771      0.695907      3.546128
  H      -1.418220      1.924048      2.411484
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  H      -1.740338     -1.705122      2.394301
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  H      -5.051567     -0.364443      0.925721
  H      -5.898321     -1.883520      1.311784
  H      -4.642255     -1.843437      0.049257
  H      -5.426268     -1.040563      3.527294
  H      -3.798666     -0.990575      4.241990
  H      -4.267281      0.189653      3.012380
  H      -6.467678     -6.267571      6.606858
  H      -7.223010     -5.239187      7.962023
  H     -10.212747     -4.669502      6.347016
  H      -9.291308     -3.297013      5.731292
  H      -9.110126     -3.789369      7.440503
  H      -7.942592     -6.628930      4.500145
  H      -9.068585     -5.320399      4.121411
  H      -7.463322     -6.104854      1.922824
  H      -6.747000     -4.514304      1.535750
  H      -8.440755     -4.633460      2.062341
  H      -7.990068     -2.913324      3.527920
  H      -7.032631     -3.092758      5.005888
  H      -6.207826     -2.851962      3.426682
  H      -4.319215     -6.481662      9.127689
  H      -2.524047     -6.224474      9.571102
  H      -3.873988     -6.223331      5.796340
  H      -3.672377     -7.973501      5.909785
  H      -4.954289     -7.206042      6.906553
  H      -0.821131     -6.770876      7.898113
  H      -1.319069     -7.687140      6.460605
  H       0.675878     -6.604261      5.479634
  H       0.916199     -5.504463      6.851658
  H       0.711390     -4.841565      5.209973
  H      -2.377934     -4.029868      7.174938
  H      -0.882327     -4.474242      8.033176
  H      -0.775066     -3.438828      6.591974
  N      -4.569729     -2.969981      5.752856
  H      -3.827650     -2.450796      6.226545
  H      -5.090862     -3.470127      6.482332
  H      -5.212723     -2.286232      5.350672
  N      -2.155646     -2.799722      4.640580
  N      -1.379739     -2.019811      4.888580
89
Coordinates from ORCA-job orca E -5532.077007611697
  N      -3.893701     -3.234814      2.457101
  C      -3.750067     -3.967395      1.191980
  C      -2.845324     -5.155657      1.348947
  N      -3.340675     -5.934430      2.493411
  C      -4.606367     -6.662750      2.147249
  C      -5.451078     -6.731683      3.411422
  N      -5.606163     -5.373248      3.932734
  Mo     -3.789695     -4.490864      4.143837
  N      -1.906570     -5.452910      4.878963
  C      -1.347822     -6.408628      3.924870
  C      -2.385461     -6.958857      2.977915
  H      -0.949997     -7.312643      4.425790
  H      -0.482437     -5.988634      3.369038
  H      -2.981903     -7.697326      3.529354
  H      -1.925767     -7.485888      2.119343
  H      -6.411113     -7.233192      3.205268
  H      -4.948234     -7.365577      4.159266
  H      -5.143988     -6.106255      1.373585
  H      -4.352224     -7.657317      1.739049
  H      -3.331583     -3.354357      0.378750
  H      -4.733445     -4.302005      0.807821
  H      -1.814675     -4.840229      1.567655
  H      -2.839356     -5.772745      0.427984
  C      -2.545172      0.787460      0.318281
  C      -2.228125      0.153669      1.447125
  C      -1.552729      0.878279      2.564625
  C      -2.476649     -1.315823      1.643192
  C      -3.905792     -1.760756      2.133683
  C      -4.946281     -1.481454      1.015126
  C      -4.383769     -0.866929      3.288411
  C      -7.201469     -5.510761      6.947572
  C      -8.096365     -5.071151      6.045424
  C      -9.203133     -4.118658      6.419140
  C      -8.053412     -5.516733      4.603488
  C      -6.967790     -4.816952      3.704792
  C      -7.406024     -5.021914      2.233539
  C      -7.017536     -3.310590      3.955896
  C      -3.306040     -6.593198      8.813965
  C      -2.957732     -6.871229      7.542978
  C      -3.970174     -7.153858      6.485808
  C      -1.543147     -6.810336      7.040712
  C      -1.175173     -5.532475      6.174443
  C       0.358528     -5.620870      5.951076
  C      -1.384953     -4.317190      7.081344
  H      -2.357370      1.846653      0.200427
  H      -2.990466      0.270485     -0.520970
  H      -2.077729      0.726951      3.516473
  H      -1.477710      1.947150      2.370384
  H      -0.539436      0.480199      2.709709
  H      -1.759694     -1.696038      2.370345
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  H      -5.084566     -0.398119      0.898112
  H      -5.912194     -1.923573      1.296935
  H      -4.657887     -1.878777      0.032393
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  H      -3.807850     -0.962724      4.219210
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  H      -6.436206     -6.223887      6.653032
  H      -7.202833     -5.179376      7.989075
  H     -10.182007     -4.626548      6.350638
  H      -9.254875     -3.260350      5.729081
  H      -9.083866     -3.738660      7.443434
  H      -7.913383     -6.608454      4.530044
  H      -9.034555     -5.299985      4.144666
  H      -7.441054     -6.081055      1.942449
  H      -6.720999     -4.490796      1.557578
  H      -8.415324     -4.607825      2.083930
  H      -7.959102     -2.895015      3.562008
  H      -6.978944     -3.073696      5.025821
  H      -6.177981     -2.837620      3.434451
  H      -4.353924     -6.611490      9.125550
  H      -2.562201     -6.334779      9.573796
  H      -3.894660     -6.281152      5.795138
  H      -3.692026     -8.032334      5.881009
  H      -4.978793     -7.281892      6.883085
  H      -0.849566     -6.815608      7.897892
  H      -1.319029     -7.709842      6.437308
  H       0.676925     -6.580626      5.520936
  H       0.872705     -5.501439      6.917872
  H       0.695202     -4.812310      5.282517
  H      -2.444086     -4.066275      7.203430
  H      -0.973469     -4.538540      8.079168
  H      -0.808481     -3.455565      6.691185
  N      -4.538204     -2.953675      5.754012
  H      -3.787792     -2.445942      6.224689
  H      -5.060393     -3.455746      6.480973
  H      -5.179028     -2.263550      5.359305
  N      -2.110424     -2.800290      4.637117
  N      -1.358591     -1.972096      4.788953
89
Coordinates from ORCA-job orca E -5532.077584835393
  N      -3.892722     -3.232894      2.458834
  C      -3.750827     -3.968253      1.193289
  C      -2.844175     -5.159846      1.349221
  N      -3.339108     -5.939677      2.493879
  C      -4.604374     -6.667606      2.146756
  C      -5.449507     -6.734620      3.410142
  N      -5.603795     -5.375460      3.930036
  Mo     -3.786163     -4.493808      4.139093
  N      -1.907330     -5.456874      4.881536
  C      -1.348224     -6.414091      3.928566
  C      -2.385498     -6.964528      2.981016
  H      -0.950723     -7.317595      4.430726
  H      -0.482624     -5.994322      3.372639
  H      -2.983626     -7.701269      3.533111
  H      -1.925455     -7.493276      2.123705
  H      -6.409773     -7.235584      3.203832
  H      -4.947415     -7.368327      4.158670
  H      -5.140977     -6.111247      1.372208
  H      -4.350791     -7.662717      1.739493
  H      -3.332530     -3.355339      0.379837
  H      -4.734707     -4.302959      0.810166
  H      -1.813325     -4.844297      1.566867
  H      -2.839120     -5.776918      0.428296
  C      -2.559191      0.793832      0.319781
  C      -2.235674      0.159862      1.447871
  C      -1.557669      0.885713      2.564428
  C      -2.479699     -1.311162      1.644184
  C      -3.906743     -1.758634      2.138372
  C      -4.950615     -1.478324      1.023288
  C      -4.381254     -0.868070      3.296841
  C      -7.197814     -5.499005      6.946777
  C      -8.093489     -5.065289      6.042832
  C      -9.201527     -4.113211      6.412830
  C      -8.050239     -5.516065      4.602513
  C      -6.964917     -4.818369      3.701924
  C      -7.404012     -5.023492      2.230997
  C      -7.012546     -3.311928      3.951557
  C      -3.306752     -6.594480      8.815551
  C      -2.958859     -6.871750      7.544143
  C      -3.971123     -7.151863      6.486168
  C      -1.544806     -6.813496      7.042653
  C      -1.176104     -5.535587      6.177059
  C       0.357502     -5.623573      5.954493
  C      -1.387248     -4.319382      7.082464
  H      -2.374846      1.854569      0.201387
  H      -3.006861      0.275414     -0.518562
  H      -2.078953      0.732011      3.518190
  H      -1.486125      1.955791      2.370532
  H      -0.542396      0.490107      2.706142
  H      -1.759108     -1.690589      2.369010
  H      -2.269557     -1.824743      0.697172
  H      -5.089393     -0.394783      0.907877
  H      -5.915698     -1.921081      1.307081
  H      -4.664704     -1.874659      0.039416
  H      -5.439456     -1.047789      3.528867
  H      -3.802630     -0.967530      4.225040
  H      -4.294938      0.179781      2.978805
  H      -6.430801     -6.211566      6.655766
  H      -7.200536     -5.163046      7.986868
  H     -10.179546     -4.622580      6.345725
  H      -9.253983     -3.257482      5.719775
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  H      -7.908811     -6.607619      4.533149
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  H      -7.441185     -6.082531      1.940516
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  H      -7.954017     -2.895715      3.558731
  H      -6.971698     -3.073899      5.021121
  H      -6.173481     -2.840638      3.428154
  H      -4.354663     -6.611347      9.126786
  H      -2.562409     -6.338681      9.576304
  H      -3.893627     -6.280584      5.793078
  H      -3.695106     -8.032228      5.882962
  H      -4.980356     -7.276956      6.883186
  H      -0.851159     -6.820422      7.899946
  H      -1.322298     -7.713083      6.438669
  H       0.676138     -6.583439      5.524933
  H       0.871363     -5.503666      6.921353
  H       0.694190     -4.815273      5.285605
  H      -2.446692     -4.067733      7.200373
  H      -0.979332     -4.539500      8.081843
  H      -0.810413     -3.459117      6.691676
  N      -4.533248     -2.953850      5.745981
  H      -3.782290     -2.448684      6.218578
  H      -5.059078     -3.453417      6.471978
  H      -5.170291     -2.261205      5.349487
  N      -2.100227     -2.810167      4.627199
  N      -1.345875     -1.981823      4.764073
89
Coordinates from ORCA-job orca E -5532.078487612727
  N      -3.885325     -3.228278      2.452745
  C      -3.742813     -3.964200      1.189155
  C      -2.839135     -5.156658      1.351258
  N      -3.338062     -5.934713      2.494567
  C      -4.601903     -6.665078      2.144948
  C      -5.447874     -6.732168      3.409835
  N      -5.608898     -5.375072      3.933372
  Mo     -3.794065     -4.487095      4.134778
  N      -1.919061     -5.449664      4.889264
  C      -1.353844     -6.405377      3.937667
  C      -2.385778     -6.957534      2.987117
  H      -0.954943     -7.307312      4.441597
  H      -0.488192     -5.982346      3.383922
  H      -2.985288     -7.693601      3.538880
  H      -1.922515     -7.486981      2.132000
  H      -6.406737     -7.236050      3.204223
  H      -4.941791     -7.364738      4.156682
  H      -5.137602     -6.110952      1.368043
  H      -4.346977     -7.660963      1.740343
  H      -3.318823     -3.353441      0.376968
  H      -4.726474     -4.296151      0.802557
  H      -1.808975     -4.841430      1.572668
  H      -2.831030     -5.775203      0.431445
  C      -2.551149      0.792597      0.304472
  C      -2.226974      0.163059      1.436891
  C      -1.551624      0.894868      2.553757
  C      -2.468184     -1.309122      1.639279
  C      -3.896549     -1.755156      2.130687
  C      -4.936918     -1.475478      1.012284
  C      -4.371917     -0.863970      3.287929
  C      -7.194103     -5.490991      6.959355
  C      -8.094865     -5.070228      6.055101
  C      -9.209726     -4.126206      6.423600
  C      -8.051788     -5.525093      4.616098
  C      -6.972860     -4.822647      3.711580
  C      -7.416939     -5.025173      2.241880
  C      -7.023517     -3.317246      3.964433
  C      -3.307836     -6.617502      8.806821
  C      -2.959907     -6.883075      7.532663
  C      -3.971039     -7.154755      6.469849
  C      -1.548256     -6.820648      7.034724
  C      -1.184546     -5.533323      6.181264
  C       0.348811     -5.614174      5.957463
  C      -1.399812     -4.322149      7.092482
  H      -2.369266      1.854974      0.181514
  H      -2.997495      0.268708     -0.533363
  H      -2.074428      0.742873      3.507415
  H      -1.481934      1.965940      2.355908
  H      -0.535092      0.501721      2.699663
  H      -1.747988     -1.684965      2.367920
  H      -2.256342     -1.826456      0.694303
  H      -5.072850     -0.391761      0.893694
  H      -5.903875     -1.915598      1.294034
  H      -4.648714     -1.875282      0.030455
  H      -5.431402     -1.042237      3.515699
  H      -3.796364     -0.967511      4.216575
  H      -4.282953      0.184091      2.971460
  H      -6.420347     -6.197329      6.671547
  H      -7.199962     -5.149684      7.997729
  H     -10.183526     -4.643385      6.359236
  H      -9.269491     -3.273184      5.728046
  H      -9.093156     -3.738591      7.445185
  H      -7.902361     -6.615356      4.549880
  H      -9.035297     -5.319647      4.158544
  H      -7.453489     -6.083218      1.948929
  H      -6.734388     -4.493274      1.564320
  H      -8.426161     -4.610574      2.097199
  H      -7.968073     -2.903113      3.577917
  H      -6.976613     -3.081061      5.034090
  H      -6.189282     -2.842748      3.436813
  H      -4.355451     -6.637780      9.117611
  H      -2.563303     -6.369381      9.570901
  H      -3.890778     -6.281918      5.777478
  H      -3.696822     -8.033581      5.863277
  H      -4.980824     -7.279552      6.866165
  H      -0.853516     -6.834886      7.891382
  H      -1.326065     -7.714864      6.422527
  H       0.670281     -6.570006      5.521297
  H       0.863028     -5.499104      6.924672
  H       0.682123     -4.800252      5.293641
  H      -2.460345     -4.073357      7.206886
  H      -0.995196     -4.545165      8.092224
  H      -0.826241     -3.459957      6.704449
  N      -4.530134     -2.949522      5.746303
  H      -3.775758     -2.452148      6.221892
  H      -5.060165     -3.447572      6.470227
  H      -5.161106     -2.249702      5.352591
  N      -2.102302     -2.815003      4.629504
  N      -1.345548     -1.987146      4.753927
89
Coordinates from ORCA-job orca E -5532.079845470448
  N      -3.875380     -3.231041      2.455632
  C      -3.737788     -3.966909      1.191023
  C      -2.838791     -5.164410      1.350676
  N      -3.339164     -5.942925      2.493506
  C      -4.603259     -6.670188      2.144147
  C      -5.448380     -6.736172      3.408838
  N      -5.605462     -5.379031      3.931491
  Mo     -3.788053     -4.494469      4.130926
  N      -1.920135     -5.456624      4.889512
  C      -1.353281     -6.409656      3.935191
  C      -2.386873     -6.965562      2.986596
  H      -0.947858     -7.309331      4.437736
  H      -0.492418     -5.981134      3.377949
  H      -2.985825     -7.700659      3.540522
  H      -1.924153     -7.495780      2.131711
  H      -6.408242     -7.237396      3.201690
  H      -4.944610     -7.370665      4.155593
  H      -5.137758     -6.113760      1.367861
  H      -4.351548     -7.666682      1.738925
  H      -3.311350     -3.356191      0.379997
  H      -4.723359     -4.294711      0.805035
  H      -1.807766     -4.852104      1.572333
  H      -2.832571     -5.781876      0.430283
  C      -2.573041      0.799732      0.307306
  C      -2.235608      0.169989      1.438515
  C      -1.555924      0.904669      2.554244
  C      -2.466528     -1.305702      1.641464
  C      -3.890803     -1.757721      2.139937
  C      -4.937589     -1.476245      1.028064
  C      -4.359024     -0.873552      3.304739
  C      -7.181374     -5.453327      6.960630
  C      -8.088482     -5.053919      6.052781
  C      -9.211173     -4.116023      6.411399
  C      -8.043633     -5.525537      4.619025
  C      -6.967730     -4.824982      3.709955
  C      -7.414394     -5.024654      2.240753
  C      -7.014107     -3.319839      3.961469
  C      -3.307579     -6.629407      8.809698
  C      -2.960292     -6.888464      7.533611
  C      -3.972466     -7.157349      6.471159
  C      -1.548858     -6.823819      7.034497
  C      -1.187392     -5.534278      6.182075
  C       0.346234     -5.605915      5.961584
  C      -1.413258     -4.322281      7.089494
  H      -2.399079      1.865633      0.183185
  H      -3.023549      0.272363     -0.529009
  H      -2.072040      0.747663      3.511373
  H      -1.493446      1.978377      2.356892
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  H      -1.738529     -1.679700      2.365524
  H      -2.260060     -1.820579      0.693613
  H      -5.073778     -0.392027      0.911786
  H      -5.903332     -1.917138      1.313573
  H      -4.654054     -1.874964      0.044424
  H      -5.417757     -1.053266      3.535391
  H      -3.779091     -0.985906      4.228241
  H      -4.271620      0.176637      2.995161
  H      -6.399741     -6.154169      6.681189
  H      -7.189861     -5.099227      7.994881
  H     -10.180303     -4.641977      6.352377
  H      -9.277625     -3.270953      5.707074
  H      -9.097873     -3.716830      7.428765
  H      -7.886009     -6.614822      4.565444
  H      -9.028194     -5.332744      4.159060
  H      -7.455782     -6.081768      1.946884
  H      -6.730200     -4.495238      1.563150
  H      -8.421491     -4.605683      2.097639
  H      -7.959608     -2.904458      3.580156
  H      -6.959510     -3.082424      5.030313
  H      -6.182713     -2.848001      3.427884
  H      -4.355324     -6.652852      9.119954
  H      -2.562991     -6.384736      9.576101
  H      -3.892583     -6.286173      5.775814
  H      -3.701920     -8.039221      5.866863
  H      -4.982703     -7.279668      6.868222
  H      -0.853640     -6.839552      7.891182
  H      -1.326876     -7.716558      6.419862
  H       0.673553     -6.560266      5.527171
  H       0.858159     -5.486991      6.929300
  H       0.675825     -4.791014      5.297093
  H      -2.475487     -4.075440      7.190469
  H      -1.020134     -4.541731      8.094119
  H      -0.840086     -3.461234      6.702866
  N      -4.535789     -2.958821      5.734381
  H      -3.784495     -2.467390      6.221450
  H      -5.077807     -3.455083      6.450734
  H      -5.156871     -2.253280      5.335014
  N      -2.097001     -2.825575      4.618070
  N      -1.341037     -1.993233      4.710691
89
Coordinates from ORCA-job orca E -5532.083919286869
  N      -3.857949     -3.231010      2.441248
  C      -3.711668     -3.967809      1.174908
  C      -2.819881     -5.169254      1.344869
  N      -3.329574     -5.943283      2.487550
  C      -4.596616     -6.664449      2.140917
  C      -5.436109     -6.728243      3.408240
  N      -5.580938     -5.369099      3.929699
  Mo     -3.764665     -4.482102      4.114273
  N      -1.929034     -5.468431      4.897082
  C      -1.347402     -6.402263      3.933998
  C      -2.375169     -6.966006      2.980459
  H      -0.925658     -7.298161      4.428808
  H      -0.494978     -5.956330      3.378043
  H      -2.969476     -7.708719      3.528747
  H      -1.904404     -7.487406      2.124844
  H      -6.399825     -7.222826      3.204712
  H      -4.932995     -7.366176      4.151390
  H      -5.131571     -6.104943      1.367150
  H      -4.350450     -7.661720      1.733949
  H      -3.277335     -3.358081      0.367861
  H      -4.695572     -4.291348      0.780187
  H      -1.793136     -4.852646      1.580463
  H      -2.797960     -5.791076      0.427783
  C      -2.619517      0.815855      0.284885
  C      -2.260845      0.190145      1.414284
  C      -1.576433      0.933945      2.523025
  C      -2.474562     -1.289724      1.612563
  C      -3.889142     -1.757064      2.130119
  C      -4.947643     -1.480648      1.030094
  C      -4.344409     -0.875600      3.301596
  C      -7.133282     -5.385364      6.989647
  C      -8.051257     -5.027491      6.076056
  C      -9.192308     -4.106256      6.421119
  C      -8.006454     -5.526931      4.650580
  C      -6.949509     -4.819918      3.724522
  C      -7.409139     -5.023188      2.259289
  C      -7.006688     -3.313454      3.967105
  C      -3.341805     -6.705607      8.802146
  C      -2.987127     -6.944201      7.526127
  C      -3.994557     -7.207290      6.459115
  C      -1.574998     -6.849765      7.032690
  C      -1.223410     -5.546314      6.196498
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  C      -1.482645     -4.343232      7.104461
  H      -2.460523      1.885307      0.155839
  H      -3.073434      0.280380     -0.546519
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  H      -1.526592      2.008653      2.320117
  H      -0.550017      0.557297      2.654932
  H      -1.730838     -1.665450      2.320623
  H      -2.279636     -1.793042      0.656406
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  H      -5.909169     -1.925945      1.324189
  H      -4.670514     -1.877986      0.045265
  H      -5.398224     -1.054195      3.551482
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  H      -7.151885     -5.007672      8.015346
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  H      -9.275866     -3.274814      5.702560
  H      -9.085370     -3.687278      7.431216
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  H      -8.998021     -5.358987      4.195837
  H      -7.445973     -6.080785      1.965220
  H      -6.732659     -4.488311      1.577461
  H      -8.420386     -4.610558      2.124320
  H      -7.965350     -2.911905      3.603890
  H      -6.930789     -3.066665      5.031821
  H      -6.192287     -2.837452      3.411061
  H      -4.390635     -6.745469      9.109449
  H      -2.604766     -6.458576      9.570508
  H      -3.914629     -6.336723      5.764909
  H      -3.723337     -8.089246      5.856037
  H      -5.007449     -7.332040      6.851267
  H      -0.884037     -6.867845      7.891352
  H      -1.336348     -7.729531      6.408081
  H       0.661575     -6.540027      5.569193
  H       0.809213     -5.477313      6.981483
  H       0.644365     -4.770244      5.353801
  H      -2.546775     -4.095753      7.178353
  H      -1.123946     -4.577269      8.117473
  H      -0.887363     -3.483117      6.761956
  N      -4.508884     -2.940756      5.710955
  H      -3.751460     -2.459465      6.197931
  H      -5.056127     -3.433243      6.425405
  H      -5.122815     -2.228136      5.313866
  N      -2.047251     -2.844742      4.593860
  N      -1.270413     -2.048302      4.727768
89
Coordinates from ORCA-job orca E -5532.085233617009
  N      -3.852183     -3.230252      2.435881
  C      -3.706566     -3.967080      1.169298
  C      -2.817595     -5.169901      1.341297
  N      -3.328932     -5.942760      2.484254
  C      -4.595878     -6.663477      2.138589
  C      -5.432843     -6.727853      3.407401
  N      -5.575782     -5.368994      3.929736
  Mo     -3.760933     -4.478300      4.108326
  N      -1.935265     -5.468879      4.899008
  C      -1.347843     -6.396104      3.932588
  C      -2.372991     -6.964029      2.977600
  H      -0.919344     -7.289802      4.425071
  H      -0.499350     -5.942843      3.376633
  H      -2.965292     -7.708829      3.525062
  H      -1.899557     -7.483000      2.122047
  H      -6.397097     -7.221653      3.205140
  H      -4.928511     -7.366794      4.148571
  H      -5.131534     -6.103419      1.365626
  H      -4.350841     -7.660906      1.731120
  H      -3.270087     -3.357765      0.363085
  H      -4.690898     -4.288612      0.773453
  H      -1.791536     -4.852773      1.579429
  H      -2.793003     -5.792927      0.425191
  C      -2.622420      0.818233      0.281488
  C      -2.261184      0.193763      1.411455
  C      -1.577654      0.939888      2.520144
  C      -2.471372     -1.287200      1.608625
  C      -3.885049     -1.756641      2.126447
  C      -4.943316     -1.480305      1.026913
  C      -4.338723     -0.877282      3.299970
  C      -7.110010     -5.351668      7.000349
  C      -8.036950     -5.016467      6.086934
  C      -9.187379     -4.105190      6.427446
  C      -7.994171     -5.530885      4.666383
  C      -6.946547     -4.822856      3.730793
  C      -7.413466     -5.029113      2.268151
  C      -7.006433     -3.315829      3.968624
  C      -3.351132     -6.731370      8.796901
  C      -2.994044     -6.960337      7.520028
  C      -3.999684     -7.221300      6.451342
  C      -1.582175     -6.855936      7.028577
  C      -1.235649     -5.546129      6.199614
  C       0.304161     -5.582746      6.016018
  C      -1.508362     -4.347580      7.109767
  H      -2.466629      1.888671      0.151302
  H      -3.075595      0.280405     -0.549705
  H      -2.082605      0.782089      3.484247
  H      -1.529934      2.015041      2.315825
  H      -0.550385      0.565127      2.652311
  H      -1.726168     -1.663184      2.315241
  H      -2.276958     -1.788775      0.651258
  H      -5.085513     -0.397780      0.910868
  H      -5.905012     -1.924903      1.320823
  H      -4.665754     -1.878825      0.042692
  H      -5.391969     -1.056798      3.552306
  H      -3.742985     -0.978438      4.212559
  H      -4.261266      0.171968      2.984222
  H      -6.300715     -6.029419      6.743035
  H      -7.130038     -4.962278      8.021695
  H     -10.139735     -4.662731      6.387656
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  H      -6.922001     -3.064637      5.031488
  H      -6.198473     -2.839425      3.403816
  H      -4.400244     -6.777867      9.102570
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  H      -3.728041     -8.102755      5.848016
  H      -5.012951     -7.347865      6.842382
  H      -0.892164     -6.875792      7.887640
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  H       0.658042     -6.524605      5.576710
  H       0.793185     -5.467609      6.994597
  H       0.630372     -4.754009      5.369265
  H      -2.573521     -4.102671      7.173125
  H      -1.161662     -4.586290      8.125750
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  N      -4.509376     -2.937704      5.701859
  H      -3.752041     -2.460137      6.192883
  H      -5.061166     -3.429853      6.413156
  H      -5.119174     -2.221889      5.304149
  N      -2.037612     -2.850522      4.585611
  N      -1.255306     -2.060776      4.719651
89
Coordinates from ORCA-job orca E -5532.086284562057
  N      -3.848853     -3.229414      2.431585
  C      -3.703680     -3.967009      1.164807
  C      -2.814755     -5.171031      1.338622
  N      -3.326646     -5.943212      2.481964
  C      -4.593424     -6.663756      2.136715
  C      -5.429562     -6.727471      3.405938
  N      -5.571941     -5.367932      3.928038
  Mo     -3.757681     -4.475758      4.102289
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  C      -1.347495     -6.392461      3.932922
  C      -2.369600     -6.963235      2.976618
  H      -0.913682     -7.284134      4.424097
  H      -0.501837     -5.933269      3.377528
  H      -2.960881     -7.709465      3.523174
  H      -1.893367     -7.480504      2.121663
  H      -6.393999     -7.220964      3.204421
  H      -4.924665     -7.366532      4.146382
  H      -5.129392     -6.103580      1.363970
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  H      -3.266187     -3.358062      0.358851
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  H      -1.789356     -4.852741      1.578237
  H      -2.787985     -5.795165      0.423401
  C      -2.626569      0.821241      0.278991
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  C      -1.579683      0.944121      2.517476
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  C      -4.942874     -1.479674      1.025531
  C      -4.335584     -0.878814      3.299058
  C      -7.091581     -5.330017      7.006440
  C      -8.025148     -5.008494      6.094825
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  C      -7.004716     -3.315498      3.966577
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  H      -2.473067      1.892302      0.148468
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  H      -4.665965     -1.878585      0.041390
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  H     -10.129466     -4.668694      6.400565
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  H      -7.455709     -6.090890      1.982773
  H      -6.746997     -4.499375      1.584287
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  H      -7.970284     -2.921610      3.614180
  H      -6.914276     -3.060028      5.027810
  H      -6.200966     -2.839929      3.395234
  H      -4.407417     -6.800056      9.099021
  H      -2.624972     -6.505121      9.565995
  H      -3.925105     -6.362234      5.751614
  H      -3.732651     -8.113856      5.844020
  H      -5.018491     -7.358554      6.835776
  H      -0.899236     -6.881708      7.886405
  H      -1.341221     -7.732321      6.394576
  H       0.654721     -6.513398      5.584698
  H       0.779318     -5.459952      7.005898
  H       0.618432     -4.742658      5.382026
  H      -2.596425     -4.109339      7.167878
  H      -1.194111     -4.594097      8.132442
  H      -0.930277     -3.488001      6.795134
  N      -4.504190     -2.935172      5.694954
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  H      -5.059227     -3.426484      6.404459
  H      -5.110141     -2.215638      5.298086
  N      -2.030209     -2.855681      4.577015
  N      -1.242978     -2.071770      4.712272
89
Coordinates from ORCA-job orca E -5532.087245149663
  N      -3.843886     -3.229166      2.426659
  C      -3.698859     -3.966194      1.159869
  C      -2.813036     -5.170573      1.335628
  N      -3.326608     -5.941333      2.479230
  C      -4.593418     -6.661460      2.134608
  C      -5.427954     -6.726099      3.404833
  N      -5.569006     -5.366850      3.927864
  Mo     -3.756109     -4.471549      4.099088
  N      -1.946391     -5.470278      4.901935
  C      -1.348181     -6.386004      3.931677
  C      -2.368040     -6.960134      2.973980
  H      -0.908697     -7.275964      4.420754
  H      -0.505740     -5.920470      3.376568
  H      -2.957639     -7.708400      3.519612
  H      -1.889465     -7.475120      2.119023
  H      -6.392715     -7.219020      3.203999
  H      -4.922309     -7.366072      4.143780
  H      -5.129875     -6.100604      1.362603
  H      -4.349518     -7.659025      1.726593
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  H      -2.784400     -5.795712      0.421207
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  C      -1.578889      0.947409      2.513482
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  C      -3.879443     -1.756080      2.119241
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  C      -4.330944     -0.879982      3.295496
  C      -7.070821     -5.310252      7.012987
  C      -8.012048     -5.002795      6.104217
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  C      -7.006033     -3.316545      3.968063
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  H      -3.736938     -8.125050      5.837569
  H      -5.023823     -7.372442      6.829033
  H      -0.905724     -6.886878      7.883413
  H      -1.343001     -7.731944      6.387122
  H       0.651899     -6.498388      5.590969
  H       0.765685     -5.449633      7.016427
  H       0.606091     -4.727316      5.394574
  H      -2.619131     -4.114673      7.163606
  H      -1.225834     -4.600990      8.139062
  H      -0.950522     -3.488137      6.810959
  N      -4.507933     -2.932577      5.689817
  H      -3.749724     -2.462317      6.187055
  H      -5.066856     -3.424393      6.396052
  H      -5.110695     -2.210648      5.292401
  N      -2.025982     -2.857325      4.573885
  N      -1.235362     -2.078048      4.713387
89
Coordinates from ORCA-job orca E -5532.089223277624
  N      -3.838840     -3.224838      2.417078
  C      -3.694900     -3.964715      1.150628
  C      -2.809611     -5.171050      1.329380
  N      -3.324073     -5.940372      2.474132
  C      -4.589892     -6.660972      2.130361
  C      -5.420625     -6.725721      3.402189
  N      -5.560342     -5.366440      3.924677
  Mo     -3.750626     -4.463867      4.086667
  N      -1.959541     -5.470326      4.907579
  C      -1.350376     -6.375776      3.933773
  C      -2.363878     -6.956386      2.971876
  H      -0.901356     -7.262211      4.420163
  H      -0.513080     -5.898774      3.380601
  H      -2.951593     -7.707421      3.515615
  H      -1.879633     -7.468240      2.118357
  H      -6.385624     -7.219010      3.204562
  H      -4.912063     -7.365488      4.138881
  H      -5.127456     -6.100226      1.358898
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  H      -2.777941     -5.798603      0.416824
  C      -2.625794      0.827131      0.267594
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  C      -1.579799      0.954629      2.508192
  C      -2.464449     -1.278041      1.593369
  C      -3.876251     -1.752232      2.111815
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  C      -4.325323     -0.879642      3.291092
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  C      -3.020747     -7.008931      7.502222
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  H      -4.433985     -6.876623      9.083023
  H      -2.656865     -6.568760      9.558955
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  H      -3.744738     -8.146259      5.824109
  H      -5.035157     -7.396980      6.811706
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  N      -4.507358     -2.924452      5.671564
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  H      -5.103946     -2.197961      5.273087
  N      -2.007133     -2.871250      4.557303
  N      -1.204148     -2.106406      4.702935
89
Coordinates from ORCA-job orca E -5532.089925459526
  N      -3.836339     -3.224772      2.413551
  C      -3.692573     -3.964511      1.147034
  C      -2.807952     -5.171100      1.327097
  N      -3.322778     -5.939597      2.472201
  C      -4.588717     -6.660044      2.128878
  C      -5.419263     -6.724650      3.400976
  N      -5.558879     -5.364865      3.923812
  Mo     -3.749549     -4.461513      4.083629
  N      -1.963774     -5.471426      4.907758
  C      -1.350041     -6.371923      3.932996
  C      -2.361266     -6.954593      2.970284
  H      -0.896478     -7.256739      4.417955
  H      -0.515308     -5.889950      3.380254
  H      -2.947873     -7.707064      3.513201
  H      -1.875038     -7.464750      2.116925
  H      -6.384327     -7.217723      3.203560
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  H      -5.126580     -6.099010      1.357778
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  H      -2.775058     -5.799378      0.415123
  C      -2.623915      0.826591      0.264238
  C      -2.259180      0.205294      1.396248
  C      -1.579515      0.956037      2.505920
  C      -2.462227     -1.277921      1.590928
  C      -3.874099     -1.752412      2.108660
  C      -4.933462     -1.475041      1.012323
  C      -4.322817     -0.880678      3.288553
  C      -7.014888     -5.258791      7.028954
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  C      -7.434329     -5.051067      2.297617
  C      -7.005603     -3.319044      3.966532
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  C      -3.024094     -7.016568      7.499676
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  C      -1.286476     -5.544737      6.214779
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  H      -2.475476      1.898944      0.131369
  H      -3.073438      0.283204     -0.566991
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  H      -3.746791     -8.154676      5.821991
  H      -5.038169     -7.405738      6.807829
  H      -0.926842     -6.900530      7.879402
  H      -1.350031     -7.732948      6.373011
  H       0.641189     -6.462811      5.611072
  H       0.726479     -5.427181      7.048057
  H       0.571365     -4.690918      5.431555
  H      -2.681330     -4.131781      7.152836
  H      -1.313287     -4.622279      8.158007
  H      -1.007134     -3.491811      6.854501
  N      -4.504885     -2.923243      5.669487
  H      -3.745655     -2.461606      6.173639
  H      -5.072175     -3.414183      6.369925
  H      -5.099231     -2.194150      5.272397
  N      -2.006377     -2.871138      4.553632
  N      -1.201971     -2.108624      4.702510
89
Coordinates from ORCA-job orca E -5532.090741398259
  N      -3.833674     -3.223492      2.409519
  C      -3.690315     -3.963761      1.143145
  C      -2.806728     -5.170888      1.324493
  N      -3.322134     -5.938547      2.470061
  C      -4.587882     -6.658922      2.127132
  C      -5.417164     -6.723790      3.399807
  N      -5.556154     -5.363980      3.922762
  Mo     -3.747946     -4.458018      4.079698
  N      -1.969422     -5.471484      4.909562
  C      -1.350930     -6.367019      3.933152
  C      -2.359630     -6.952412      2.968916
  H      -0.892734     -7.250229      4.416587
  H      -0.518825     -5.879697      3.381081
  H      -2.945209     -7.706304      3.510978
  H      -1.871117     -7.460946      2.115954
  H      -6.382353     -7.216795      3.203300
  H      -4.907514     -7.364021      4.135029
  H      -5.126126     -6.097611      1.356428
  H      -4.345160     -7.656731      1.718764
  H      -3.247466     -3.357312      0.338152
  H      -4.675847     -4.280605      0.745093
  H      -1.783274     -4.849951      1.569478
  H      -2.772818     -5.800063      0.413214
  C      -2.622134      0.827511      0.260443
  C      -2.257503      0.206853      1.393031
  C      -1.578561      0.958281      2.502916
  C      -2.459983     -1.276561      1.587780
  C      -3.871832     -1.751382      2.105204
  C      -4.931277     -1.473603      1.009321
  C      -4.319721     -0.880832      3.286044
  C      -6.997559     -5.244282      7.033263
  C      -7.963012     -4.981898      6.135756
  C      -9.139003     -4.106134      6.480423
  C      -7.942562     -5.538961      4.729982
  C      -6.935957     -4.830213      3.751798
  C      -7.438420     -5.055558      2.303094
  C      -7.006235     -3.319769      3.966216
  C      -3.395056     -6.837575      8.776651
  C      -3.029243     -7.026365      7.496112
  C      -4.026115     -7.282874      6.418530
  C      -1.618022     -6.879297      7.016070
  C      -1.295594     -5.543797      6.217562
  C       0.247922     -5.528653      6.067595
  C      -1.631300     -4.367392      7.135956
  H      -2.474399      1.900039      0.126979
  H      -3.070965      0.283258     -0.570811
  H      -2.084185      0.802656      3.467521
  H      -1.535269      2.034138      2.294985
  H      -0.549651      0.587860      2.637465
  H      -1.712111     -1.653414      2.292615
  H      -2.266132     -1.774505      0.627639
  H      -5.071188     -0.391339      0.890614
  H      -5.893896     -1.914768      1.305404
  H      -4.655494     -1.876259      0.026568
  H      -5.370386     -1.064947      3.546833
  H      -3.715522     -0.981037      4.191868
  H      -4.251864      0.169917      2.973262
  H      -6.161865     -5.891573      6.780990
  H      -7.013877     -4.821383      8.041402
  H     -10.070323     -4.698664      6.476093
  H      -9.279434     -3.306136      5.735591
  H      -9.026983     -3.646303      7.471803
  H      -7.728053     -6.618861      4.729390
  H      -8.952702     -5.426866      4.300851
  H      -7.479474     -6.115600      2.021377
  H      -6.783107     -4.526165      1.596803
  H      -8.454287     -4.648520      2.191787
  H      -7.984378     -2.942023      3.632449
  H      -6.892305     -3.046669      5.020442
  H      -6.222314     -2.843653      3.368396
  H      -4.443799     -6.912286      9.077182
  H      -2.668796     -6.597883      9.555872
  H      -3.949397     -6.414677      5.723332
  H      -3.749667     -8.164007      5.817295
  H      -5.042429     -7.416553      6.801829
  H      -0.932700     -6.904203      7.877926
  H      -1.351764     -7.732614      6.368255
  H       0.638108     -6.450680      5.617263
  H       0.714423     -5.418774      7.057180
  H       0.560302     -4.678921      5.442326
  H      -2.700457     -4.136776      7.149432
  H      -1.339982     -4.628305      8.163430
  H      -1.025084     -3.492197      6.867667
  N      -4.505995     -2.920679      5.664114
  H      -3.747023     -2.461281      6.170819
  H      -5.075762     -3.411896      6.362436
  H      -5.098092     -2.189718      5.267062
  N      -2.001462     -2.874674      4.548763
  N      -1.193447     -2.116956      4.701763
89
Coordinates from ORCA-job orca E -5532.092250561146
  N      -3.829465     -3.221642      2.401983
  C      -3.686602     -3.962962      1.135873
  C      -2.803998     -5.171031      1.319560
  N      -3.320023     -5.937257      2.466009
  C      -4.585615     -6.657551      2.123742
  C      -5.413633     -6.722373      3.397091
  N      -5.552241     -5.361975      3.920213
  Mo     -3.745481     -4.452505      4.072043
  N      -1.979971     -5.473002      4.911759
  C      -1.351961     -6.358844      3.933170
  C      -2.355533     -6.948967      2.966360
  H      -0.884728     -7.238748      4.413824
  H      -0.524979     -5.861289      3.382422
  H      -2.939310     -7.705474      3.506728
  H      -1.862649     -7.454427      2.114194
  H      -6.378902     -7.215333      3.201769
  H      -4.902837     -7.362816      4.131056
  H      -5.124431     -6.095799      1.353633
  H      -4.343275     -7.655365      1.715083
  H      -3.242162     -3.357444      0.331026
  H      -4.672400     -4.278766      0.737436
  H      -1.781027     -4.849266      1.565644
  H      -2.768301     -5.801764      0.409495
  C      -2.617808      0.828500      0.254398
  C      -2.254046      0.208805      1.388073
  C      -1.576877      0.961211      2.498758
  C      -2.455885     -1.274881      1.582749
  C      -3.867968     -1.749980      2.098899
  C      -4.927063     -1.471002      1.003514
  C      -4.314539     -0.881790      3.281570
  C      -6.970792     -5.221453      7.041077
  C      -7.945185     -4.975076      6.148715
  C      -9.126696     -4.108144      6.496241
  C      -7.930233     -5.540302      4.746008
  C      -6.934287     -4.831325      3.757271
  C      -7.447007     -5.061577      2.312759
  C      -7.007035     -3.320035      3.966255
  C      -3.404082     -6.862480      8.771823
  C      -3.036831     -7.042298      7.490577
  C      -4.031702     -7.299662      6.411391
  C      -1.626079     -6.884002      7.013045
  C      -1.311702     -5.542518      6.221654
  C       0.232321     -5.512496      6.079565
  C      -1.664767     -4.372356      7.141680
  H      -2.471068      1.901316      0.120085
  H      -3.065113      0.282888     -0.577151
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  H      -1.533759      2.037153      2.289979
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  H      -2.261444     -1.772713      0.622523
  H      -5.065459     -0.388685      0.884026
  H      -5.890324     -1.910505      1.299922
  H      -4.651807     -1.874943      0.021188
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  H      -3.708782     -0.982663      4.186058
  H      -4.248557      0.169460      2.970171
  H      -6.129092     -5.860802      6.788431
  H      -6.986391     -4.792486      8.046617
  H     -10.052945     -4.708378      6.499368
  H      -9.277409     -3.312801      5.748529
  H      -9.013246     -3.642934      7.484912
  H      -7.708115     -6.618523      4.750791
  H      -8.943995     -5.437919      4.323254
  H      -7.489963     -6.122223      2.034044
  H      -6.796779     -4.534185      1.600258
  H      -8.463625     -4.655075      2.207472
  H      -7.988626     -2.946781      3.637972
  H      -6.886503     -3.041470      5.018211
  H      -6.228827     -2.843904      3.360915
  H      -4.452355     -6.944223      9.071913
  H      -2.679552     -6.622942      9.552180
  H      -3.956184     -6.432858      5.715006
  H      -3.753453     -8.181364      5.811862
  H      -5.048690     -7.435064      6.792946
  H      -0.941646     -6.909030      7.875432
  H      -1.353567     -7.731983      6.361084
  H       0.632646     -6.428828      5.626128
  H       0.693527     -5.403791      7.071861
  H       0.539799     -4.656933      5.459872
  H      -2.734909     -4.146662      7.142101
  H      -1.387401     -4.638723      8.171551
  H      -1.058449     -3.492899      6.889090
  N      -4.504525     -2.917268      5.656037
  H      -3.744878     -2.462769      6.166403
  H      -5.077874     -3.409141      6.351191
  H      -5.092765     -2.182263      5.260619
  N      -1.996465     -2.879036      4.539326
  N      -1.183552     -2.128279      4.700170
89
Coordinates from ORCA-job orca E -5532.094270120272
  N      -3.824034     -3.218355      2.391872
  C      -3.682117     -3.960969      1.126196
  C      -2.801608     -5.170427      1.312744
  N      -3.318527     -5.934807      2.460434
  C      -4.583687     -6.655001      2.119072
  C      -5.409183     -6.720280      3.393514
  N      -5.546902     -5.359463      3.916727
  Mo     -3.742447     -4.444134      4.062265
  N      -1.995111     -5.474079      4.915248
  C      -1.354624     -6.346823      3.933122
  C      -2.351432     -6.943624      2.962608
  H      -0.875189     -7.222218      4.409776
  H      -0.534846     -5.835427      3.384200
  H      -2.932617     -7.703702      3.500714
  H      -1.852746     -7.444884      2.111487
  H      -6.374565     -7.213270      3.200094
  H      -4.896547     -7.361068      4.125563
  H      -5.123381     -6.092532      1.349945
  H      -4.341982     -7.652761      1.709807
  H      -3.235480     -3.356720      0.321548
  H      -4.668357     -4.275101      0.727316
  H      -1.779066     -4.848079      1.560035
  H      -2.764071     -5.803142      0.404227
  C      -2.609468      0.829495      0.245983
  C      -2.247605      0.211177      1.381356
  C      -1.572746      0.964780      2.493131
  C      -2.449414     -1.272674      1.576346
  C      -3.862205     -1.747373      2.090314
  C      -4.920399     -1.466476      0.995287
  C      -4.307073     -0.882189      3.275294
  C      -6.930308     -5.190009      7.049735
  C      -7.918257     -4.966174      6.166144
  C      -9.106971     -4.111490      6.519136
  C      -7.912506     -5.543404      4.768102
  C      -6.932158     -4.834016      3.764459
  C      -7.459026     -5.072388      2.326101
  C      -7.009522     -3.321523      3.965021
  C      -3.416568     -6.897828      8.765824
  C      -3.047630     -7.063680      7.483142
  C      -4.040074     -7.322026      6.401641
  C      -1.637522     -6.889445      7.008911
  C      -1.333939     -5.539622      6.227455
  C       0.210433     -5.489405      6.096062
  C      -1.709962     -4.378088      7.149574
  H      -2.463378      1.902552      0.110346
  H      -3.054777      0.282147     -0.585955
  H      -2.081536      0.811661      3.456638
  H      -1.529185      2.040749      2.283043
  H      -0.544046      0.594782      2.631713
  H      -1.703237     -1.650071      2.283382
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  H      -5.056257     -0.384037      0.874586
  H      -5.884749     -1.903312      1.292001
  H      -4.645809     -1.872394      0.013617
  H      -5.356757     -1.068677      3.538847
  H      -3.699592     -0.984372      4.178171
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  H      -6.080910     -5.818505      6.795108
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  H     -10.025954     -4.722465      6.534415
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  H      -8.990163     -3.638265      7.503551
  H      -7.679516     -6.619134      4.780198
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  H      -7.504003     -6.134110      2.052430
  H      -6.816443     -4.548005      1.604508
  H      -8.476912     -4.667281      2.229039
  H      -7.995975     -2.955251      3.643787
  H      -6.880547     -3.034769      5.013587
  H      -6.239376     -2.845182      3.349499
  H      -4.463979     -6.990526      9.065173
  H      -2.693960     -6.659882      9.548702
  H      -3.966513     -6.456919      5.703762
  H      -3.759524     -8.204372      5.803917
  H      -5.057859     -7.459850      6.781110
  H      -0.954177     -6.914914      7.872032
  H      -1.356618     -7.729883      6.350972
  H       0.624707     -6.397971      5.640247
  H       0.663983     -5.380800      7.091399
  H       0.511320     -4.627262      5.482984
  H      -2.781214     -4.159100      7.133115
  H      -1.450497     -4.651813      8.182106
  H      -1.104359     -3.492866      6.917649
  N      -4.507361     -2.912897      5.644752
  H      -3.748338     -2.463838      6.161176
  H      -5.085607     -3.406754      6.334749
  H      -5.091083     -2.173418      5.250879
  N      -1.988885     -2.886220      4.527244
  N      -1.169364     -2.145399      4.700076
89
Coordinates from ORCA-job orca E -5532.095480489776
  N      -3.820959     -3.216784      2.385390
  C      -3.679103     -3.960436      1.120099
  C      -2.799175     -5.170666      1.308742
  N      -3.316629     -5.933884      2.457102
  C      -4.581702     -6.653972      2.116014
  C      -5.406650     -6.719032      3.390784
  N      -5.544443     -5.357585      3.914027
  Mo     -3.740938     -4.439662      4.055779
  N      -2.004543     -5.475661      4.916815
  C      -1.355931     -6.340473      3.933608
  C      -2.348108     -6.940971      2.960795
  H      -0.869250     -7.212924      4.408298
  H      -0.540314     -5.820823      3.386085
  H      -2.928079     -7.703091      3.497375
  H      -1.845642     -7.439784      2.110555
  H      -6.372003     -7.212054      3.198080
  H      -4.893274     -7.359919      4.122050
  H      -5.121663     -6.091131      1.347241
  H      -4.340182     -7.651729      1.706583
  H      -3.231015     -3.357058      0.315578
  H      -4.665436     -4.273809      0.720735
  H      -1.776990     -4.847716      1.556828
  H      -2.760291     -5.804611      0.401193
  C      -2.604863      0.830440      0.241499
  C      -2.244140      0.212601      1.377686
  C      -1.570839      0.966589      2.490406
  C      -2.445747     -1.271410      1.572495
  C      -3.858985     -1.746175      2.084918
  C      -4.916719     -1.464054      0.990138
  C      -4.302994     -0.883061      3.271406
  C      -6.909381     -5.174925      7.054831
  C      -7.904036     -4.961895      6.176175
  C      -9.096017     -4.113497      6.532718
  C      -7.903118     -5.544212      4.780222
  C      -6.931377     -4.834700      3.768358
  C      -7.466862     -5.077164      2.333716
  C      -7.010626     -3.321597      3.964752
  C      -3.422486     -6.916110      8.762875
  C      -3.053268     -7.075102      7.479487
  C      -4.044628     -7.334607      6.397141
  C      -1.643790     -6.892414      7.006794
  C      -1.347156     -5.538337      6.230485
  C       0.197284     -5.476352      6.104812
  C      -1.736595     -4.381697      7.153459
  H      -2.459275      1.903693      0.105443
  H      -3.048865      0.282304     -0.590855
  H      -2.080900      0.813999      3.453362
  H      -1.527111      2.042645      2.279940
  H      -0.542218      0.596682      2.630454
  H      -1.700260     -1.649058      2.280425
  H      -2.249501     -1.769588      0.612542
  H      -5.051210     -0.381521      0.868929
  H      -5.881689     -1.899529      1.286933
  H      -4.642482     -1.870888      0.008802
  H      -5.352418     -1.070449      3.535540
  H      -3.694638     -0.986355      4.173388
  H      -4.240195      0.169357      2.963568
  H      -6.056240     -5.797750      6.798640
  H      -6.920758     -4.733209      8.054880
  H     -10.011382     -4.729538      6.553422
  H      -9.269820     -3.328068      5.779645
  H      -8.977547     -3.637179      7.515410
  H      -7.664380     -6.618541      4.795629
  H      -8.924891     -5.462578      4.372888
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  H      -8.485224     -4.672257      2.241874
  H      -7.999558     -2.958633      3.647715
  H      -6.876829     -3.030688      5.011477
  H      -6.244807     -2.845272      3.343733
  H      -4.469218     -7.014393      9.062464
  H      -2.700631     -6.678337      9.546338
  H      -3.971863     -6.471136      5.697822
  H      -3.763090     -8.218038      5.801408
  H      -5.062963     -7.472918      6.775573
  H      -0.960784     -6.917707      7.870142
  H      -1.358262     -7.728832      6.345796
  H       0.619434     -6.380396      5.646780
  H       0.647011     -5.368498      7.102133
  H       0.493990     -4.609812      5.495903
  H      -2.808506     -4.167057      7.127695
  H      -1.486788     -4.659224      8.187312
  H      -1.132230     -3.492951      6.932832
  N      -4.505903     -2.910588      5.638671
  H      -3.746229     -2.465715      6.157993
  H      -5.086729     -3.405334      6.326079
  H      -5.086696     -2.167759      5.246675
  N      -1.987119     -2.889179      4.519429
  N      -1.164932     -2.153036      4.699829
89
Coordinates from ORCA-job orca E -5532.096376701478
  N      -3.818633     -3.215096      2.380610
  C      -3.677040     -3.959353      1.115596
  C      -2.798305     -5.170263      1.305520
  N      -3.316334     -5.932763      2.454390
  C      -4.581102     -6.652720      2.113473
  C      -5.404738     -6.718209      3.388650
  N      -5.541911     -5.356765      3.912005
  Mo     -3.739528     -4.435690      4.051301
  N      -2.011775     -5.475891      4.918639
  C      -1.357696     -6.334978      3.933769
  C      -2.346784     -6.938557      2.958980
  H      -0.865790     -7.205396      4.406749
  H      -0.545263     -5.809250      3.387260
  H      -2.925648     -7.702290      3.494451
  H      -1.841626     -7.435462      2.109289
  H      -6.370147     -7.211205      3.196790
  H      -4.890551     -7.359399      4.118954
  H      -5.121350     -6.089422      1.345168
  H      -4.339923     -7.650412      1.703636
  H      -3.227850     -3.356527      0.311242
  H      -4.663509     -4.271956      0.715881
  H      -1.776247     -4.847257      1.554130
  H      -2.758746     -5.805025      0.398611
  C      -2.600565      0.831230      0.238176
  C      -2.240921      0.213788      1.375027
  C      -1.568877      0.968080      2.488477
  C      -2.442608     -1.270274      1.569776
  C      -3.856294     -1.744813      2.080837
  C      -4.913438     -1.461763      0.986045
  C      -4.299782     -0.883127      3.268332
  C      -6.889299     -5.161213      7.057643
  C      -7.890386     -4.958020      6.183849
  C      -9.084850     -4.114568      6.543646
  C      -7.894612     -5.546011      4.790230
  C      -6.930318     -4.836476      3.771435
  C      -7.472666     -5.082753      2.339916
  C      -7.011812     -3.322907      3.964110
  C      -3.428639     -6.931344      8.760302
  C      -3.058468     -7.084107      7.476484
  C      -4.048676     -7.344222      6.393175
  C      -1.649319     -6.894253      7.005274
  C      -1.357283     -5.536660      6.233280
  C       0.187138     -5.466037      6.112343
  C      -1.756486     -4.383850      7.157077
  H      -2.455197      1.904589      0.101770
  H      -3.043567      0.282517     -0.594492
  H      -2.080038      0.816026      3.450941
  H      -1.524871      2.044175      2.277672
  H      -0.540393      0.598117      2.629802
  H      -1.697875     -1.648133      2.278529
  H      -2.245664     -1.768599      0.609983
  H      -5.046768     -0.379161      0.864347
  H      -5.878935     -1.896065      1.282794
  H      -4.639344     -1.869431      0.005027
  H      -5.349048     -1.071188      3.532794
  H      -3.690842     -0.987265      4.169694
  H      -4.237782      0.169649      2.961621
  H      -6.033422     -5.779653      6.799709
  H      -6.898250     -4.715203      8.055848
  H      -9.997065     -4.734960      6.570648
  H      -9.265919     -3.332497      5.788800
  H      -8.963993     -3.634481      7.524185
  H      -7.651071     -6.619153      4.808747
  H      -8.918840     -5.470479      4.387985
  H      -7.520538     -6.145514      2.071462
  H      -6.838416     -4.561878      1.608504
  H      -8.491574     -4.678462      2.252244
  H      -8.002890     -2.963074      3.650367
  H      -6.874278     -3.028461      5.009266
  H      -6.249708     -2.846385      3.338625
  H      -4.475035     -7.034727      9.059324
  H      -2.707960     -6.693880      9.544801
  H      -3.976856     -6.481600      5.692948
  H      -3.766148     -8.228012      5.798411
  H      -5.067303     -7.483440      6.770840
  H      -0.966846     -6.919684      7.868940
  H      -1.360155     -7.727297      6.341752
  H       0.615252     -6.366664      5.653307
  H       0.633506     -5.358419      7.111059
  H       0.481081     -4.596627      5.506433
  H      -2.828817     -4.172377      7.124718
  H      -1.513589     -4.664422      8.191728
  H      -1.153168     -3.492506      6.944882
  N      -4.509619     -2.909213      5.633069
  H      -3.751084     -2.466352      6.155929
  H      -5.092898     -3.405457      6.317469
  H      -5.088588     -2.164766      5.241400
  N      -1.983341     -2.893468      4.513808
  N      -1.158266     -2.161915      4.700096
89
Coordinates from ORCA-job orca E -5532.097092957386
  N      -3.817142     -3.213947      2.376554
  C      -3.675447     -3.958839      1.111817
  C      -2.796853     -5.170178      1.303016
  N      -3.315097     -5.932064      2.452267
  C      -4.579808     -6.652029      2.111493
  C      -5.403203     -6.717386      3.386877
  N      -5.540683     -5.355515      3.910217
  Mo     -3.738803     -4.432892      4.047232
  N      -2.017696     -5.476881      4.919456
  C      -1.358652     -6.331281      3.934177
  C      -2.344751     -6.936847      2.957805
  H      -0.862671     -7.199962      4.406118
  H      -0.548556     -5.800743      3.388764
  H      -2.922981     -7.701831      3.492200
  H      -1.837238     -7.432230      2.108682
  H      -6.368533     -7.210507      3.195424
  H      -4.888525     -7.358561      4.116762
  H      -5.120244     -6.088551      1.343394
  H      -4.338642     -7.649699      1.701566
  H      -3.225367     -3.356502      0.307571
  H      -4.661910     -4.271050      0.711736
  H      -1.775012     -4.846760      1.552029
  H      -2.756515     -5.805636      0.396660
  C      -2.597167      0.831785      0.235634
  C      -2.238477      0.214548      1.372991
  C      -1.567455      0.968941      2.487132
  C      -2.440304     -1.269557      1.567595
  C      -3.854403     -1.743905      2.077451
  C      -4.910997     -1.459990      0.982611
  C      -4.297544     -0.883456      3.265795
  C      -6.876873     -5.153109      7.060447
  C      -7.881911     -4.955775      6.189855
  C      -9.078080     -4.115924      6.552149
  C      -7.889141     -5.546517      4.797431
  C      -6.930128     -4.836977      3.773619
  C      -7.477803     -5.086207      2.344546
  C      -7.012965     -3.323017      3.963519
  C      -3.431818     -6.942046      8.758972
  C      -3.061763     -7.090549      7.474602
  C      -4.051479     -7.351260      6.390831
  C      -1.653102     -6.895845      7.004173
  C      -1.365279     -5.535893      6.235036
  C       0.179045     -5.458328      6.117400
  C      -1.772189     -4.385936      7.159216
  H      -2.451909      1.905228      0.099046
  H      -3.039351      0.282704     -0.597355
  H      -2.079568      0.817250      3.449180
  H      -1.523132      2.045077      2.276156
  H      -0.539129      0.598865      2.629500
  H      -1.696236     -1.647639      2.277049
  H      -2.242757     -1.767964      0.607907
  H      -5.043361     -0.377325      0.860616
  H      -5.876944     -1.893369      1.279233
  H      -4.636972     -1.868230      0.001826
  H      -5.346713     -1.072013      3.530368
  H      -3.688271     -0.988456      4.166719
  H      -4.236058      0.169629      2.960125
  H      -6.019146     -5.768452      6.801107
  H      -6.884702     -4.705237      8.057793
  H      -9.988212     -4.739148      6.582353
  H      -9.263576     -3.335421      5.796782
  H      -8.956039     -3.634248      7.531744
  H      -7.642167     -6.618806      4.817771
  H      -8.914994     -5.475015      4.398664
  H      -7.526696     -6.149398      2.078103
  H      -6.846460     -4.566711      1.609663
  H      -8.497052     -4.682165      2.260083
  H      -8.005524     -2.965270      3.652141
  H      -6.872723     -3.025948      5.007510
  H      -6.253418     -2.846526      3.334833
  H      -4.477702     -7.048775      9.058239
  H      -2.711321     -6.705029      9.543911
  H      -3.979900     -6.489668      5.689741
  H      -3.768609     -8.235866      5.797307
  H      -5.070423     -7.490402      6.767986
  H      -0.970732     -6.921142      7.867925
  H      -1.361332     -7.726578      6.338910
  H       0.611847     -6.356369      5.657988
  H       0.622967     -5.350341      7.116984
  H       0.470569     -4.586986      5.513384
  H      -2.844889     -4.177255      7.121978
  H      -1.534275     -4.668507      8.194455
  H      -1.170057     -3.492459      6.953145
  N      -4.508236     -2.907754      5.629637
  H      -3.749141     -2.467741      6.154240
  H      -5.093131     -3.404512      6.312428
  H      -5.085290     -2.161087      5.239312
  N      -1.983050     -2.895035      4.508888
  N      -1.156801     -2.165980      4.700115
89
Coordinates from ORCA-job orca E -5532.098303478509
  N      -3.814249     -3.211844      2.369729
  C      -3.672576     -3.957808      1.105510
  C      -2.795052     -5.169934      1.298748
  N      -3.313965     -5.930787      2.448708
  C      -4.578373     -6.650565      2.108051
  C      -5.400636     -6.716158      3.383744
  N      -5.537654     -5.354018      3.907127
  Mo     -3.736934     -4.427623      4.040858
  N      -2.027631     -5.477568      4.921674
  C      -1.360802     -6.324302      3.934943
  C      -2.342281     -6.933774      2.955732
  H      -0.858075     -7.190098      4.405020
  H      -0.554757     -5.785737      3.391277
  H      -2.919222     -7.700939      3.488426
  H      -1.830852     -7.426553      2.107547
  H      -6.365958     -7.209271      3.193138
  H      -4.885135     -7.357663      4.112621
  H      -5.119046     -6.086525      1.340440
  H      -4.337532     -7.648166      1.697725
  H      -3.220984     -3.356298      0.301447
  H      -4.659099     -4.269239      0.704845
  H      -1.773451     -4.846204      1.548421
  H      -2.753679     -5.806574      0.393317
  C      -2.591721      0.833177      0.231222
  C      -2.234466      0.216237      1.369328
  C      -1.565282      0.970825      2.484663
  C      -2.436257     -1.267987      1.563638
  C      -3.850962     -1.742233      2.071570
  C      -4.906853     -1.457127      0.976725
  C      -4.293528     -0.883801      3.261305
  C      -6.853935     -5.139456      7.064927
  C      -7.865436     -4.951820      6.199825
  C      -9.063484     -4.116699      6.566184
  C      -7.878900     -5.548183      4.809786
  C      -6.928951     -4.838653      3.777545
  C      -7.485592     -5.092288      2.352565
  C      -7.014217     -3.324164      3.963309
  C      -3.438260     -6.961034      8.756558
  C      -3.067950     -7.101701      7.471494
  C      -4.056663     -7.363383      6.386927
  C      -1.659992     -6.898036      7.002359
  C      -1.378612     -5.533815      6.238568
  C       0.165567     -5.445242      6.126512
  C      -1.797934     -4.388716      7.163607
  H      -2.446853      1.906796      0.094435
  H      -3.032473      0.283495     -0.602319
  H      -2.078957      0.819534      3.445949
  H      -1.520662      2.047062      2.273514
  H      -0.537116      0.600745      2.628764
  H      -1.693172     -1.646348      2.274227
  H      -2.237692     -1.766487      0.604139
  H      -5.037786     -0.374358      0.854138
  H      -5.873459     -1.889111      1.273302
  H      -4.633021     -1.866378     -0.003663
  H      -5.342517     -1.073325      3.526105
  H      -3.683612     -0.990168      4.161494
  H      -4.233029      0.169814      2.957315
  H      -5.993987     -5.750826      6.803556
  H      -6.859262     -4.687311      8.060384
  H      -9.970560     -4.743837      6.602610
  H      -9.256025     -3.339341      5.809452
  H      -8.938708     -3.631703      7.543773
  H      -7.626511     -6.619060      4.833093
  H      -8.907583     -5.483316      4.417520
  H      -7.536408     -6.156049      2.089177
  H      -6.859161     -4.575003      1.611966
  H      -8.505265     -4.688479      2.273750
  H      -8.009228     -2.969908      3.656146
  H      -6.869412     -3.023080      5.005422
  H      -6.259104     -2.847424      3.329359
  H      -4.483423     -7.074127      9.055892
  H      -2.718620     -6.724367      9.542194
  H      -3.986123     -6.503234      5.684332
  H      -3.772962     -8.248926      5.795153
  H      -5.076002     -7.502954      6.763422
  H      -0.977846     -6.923491      7.866230
  H      -1.363900     -7.724499      6.333774
  H       0.605718     -6.338841      5.664634
  H       0.605855     -5.338619      7.128198
  H       0.453232     -4.569438      5.526961
  H      -2.871222     -4.184636      7.118881
  H      -1.567728     -4.674736      8.199596
  H      -1.198021     -3.491679      6.967493
  N      -4.511485     -2.906034      5.622533
  H      -3.753453     -2.469622      6.151905
  H      -5.099932     -3.404671      6.301129
  H      -5.085635     -2.156599      5.233139
  N      -1.979719     -2.900180      4.500817
  N      -1.150584     -2.176516      4.700760
89
Coordinates from ORCA-job orca E -5532.103596711221
  N      -3.796591     -3.200592      2.337671
  C      -3.659737     -3.950215      1.074977
  C      -2.787767     -5.169239      1.278605
  N      -3.313779     -5.922383      2.431495
  C      -4.577060     -6.640106      2.092701
  C      -5.393510     -6.704705      3.371443
  N      -5.531275     -5.338887      3.896457
  Mo     -3.730318     -4.399315      4.011047
  N      -2.083651     -5.470194      4.910666
  C      -1.383523     -6.300011      3.947616
  C      -2.342659     -6.921873      2.954053
  H      -0.864470     -7.148814      4.430752
  H      -0.581962     -5.743329      3.416224
  H      -2.922481     -7.691148      3.481503
  H      -1.813559     -7.411001      2.116819
  H      -6.358131     -7.199006      3.185987
  H      -4.872199     -7.347918      4.094114
  H      -5.119159     -6.075293      1.326152
  H      -4.337409     -7.638569      1.683662
  H      -3.198459     -3.353319      0.272797
  H      -4.648203     -4.254617      0.671928
  H      -1.766773     -4.846558      1.532614
  H      -2.742190     -5.812345      0.378390
  C      -2.554197      0.840327      0.211420
  C      -2.197723      0.219639      1.351727
  C      -1.525404      0.968441      2.472723
  C      -2.404682     -1.266728      1.543478
  C      -3.822172     -1.734744      2.049754
  C      -4.879510     -1.434242      0.960728
  C      -4.245967     -0.893051      3.253686
  C      -6.765086     -5.145276      7.072753
  C      -7.798074     -4.979778      6.243768
  C      -9.001514     -4.179086      6.653672
  C      -7.835634     -5.564976      4.853118
  C      -6.929013     -4.839525      3.792827
  C      -7.522864     -5.099486      2.383468
  C      -7.029050     -3.323275      3.973012
  C      -3.458903     -6.998929      8.740737
  C      -3.095787     -7.128019      7.463144
  C      -4.082967     -7.419672      6.392493
  C      -1.694393     -6.885734      6.994769
  C      -1.448461     -5.513859      6.241240
  C       0.092928     -5.381928      6.156532
  C      -1.925891     -4.382957      7.157479
  H      -2.408209      1.916829      0.073130
  H      -2.996604      0.289129     -0.624010
  H      -2.040710      0.816326      3.434244
  H      -1.476037      2.047611      2.264097
  H      -0.498054      0.594416      2.617009
  H      -1.661369     -1.653473      2.254911
  H      -2.212658     -1.762996      0.580655
  H      -5.002409     -0.349482      0.841840
  H      -5.850576     -1.860822      1.256811
  H      -4.609996     -1.842366     -0.020154
  H      -5.293901     -1.084861      3.522859
  H      -3.628584     -1.022961      4.141408
  H      -4.185705      0.165261      2.967346
  H      -5.897441     -5.732079      6.786407
  H      -6.765719     -4.700236      8.068120
  H      -9.894119     -4.822681      6.708591
  H      -9.224831     -3.402764      5.908862
  H      -8.864029     -3.702056      7.631505
  H      -7.554123     -6.625058      4.868200
  H      -8.874745     -5.525646      4.496827
  H      -7.575072     -6.162945      2.117070
  H      -6.923342     -4.577531      1.623196
  H      -8.547162     -4.702481      2.338551
  H      -8.034148     -2.983405      3.690766
  H      -6.864057     -3.009366      5.006994
  H      -6.297192     -2.839947      3.317627
  H      -4.496043     -7.140665      9.051585
  H      -2.737445     -6.747528      9.512541
  H      -4.027171     -6.582366      5.673143
  H      -3.788915     -8.316144      5.823827
  H      -5.103120     -7.559949      6.771055
  H      -1.014096     -6.895737      7.857939
  H      -1.373510     -7.697289      6.326225
  H       0.564111     -6.259951      5.698115
  H       0.521550     -5.270526      7.162786
  H       0.359895     -4.495532      5.567599
  H      -3.000353     -4.204159      7.083183
  H      -1.722663     -4.675402      8.188613
  H      -1.363891     -3.470888      6.994020
  N      -4.518193     -2.876467      5.569475
  H      -3.763493     -2.446219      6.099684
  H      -5.109673     -3.371868      6.243029
  H      -5.087457     -2.124903      5.185244
  N      -1.986171     -2.918430      4.445607
  N      -1.158120     -2.209080      4.691574
89
Coordinates from ORCA-job orca E -5532.108519693909
  N      -3.787118     -3.178976      2.309702
  C      -3.660481     -3.930014      1.048006
  C      -2.788241     -5.155192      1.256517
  N      -3.313941     -5.904267      2.411637
  C      -4.575094     -6.623485      2.077215
  C      -5.382912     -6.688620      3.360891
  N      -5.527061     -5.319911      3.888324
  Mo     -3.724010     -4.365712      3.981187
  N      -2.132328     -5.452282      4.892516
  C      -1.401524     -6.270549      3.944535
  C      -2.341656     -6.900158      2.941443
  H      -0.872815     -7.111638      4.436590
  H      -0.600289     -5.698520      3.424190
  H      -2.921795     -7.671429      3.465595
  H      -1.801407     -7.386400      2.110018
  H      -6.345750     -7.187648      3.182994
  H      -4.851745     -7.330860      4.077132
  H      -5.122653     -6.060722      1.312750
  H      -4.333842     -7.622299      1.669382
  H      -3.194179     -3.335888      0.246517
  H      -4.651522     -4.228844      0.646554
  H      -1.767881     -4.831496      1.510386
  H      -2.741693     -5.802837      0.360655
  C      -2.502092      0.837474      0.186077
  C      -2.150812      0.213232      1.328773
  C      -1.464833      0.950378      2.451622
  C      -2.377668     -1.269785      1.521455
  C      -3.797128     -1.719443      2.031931
  C      -4.853647     -1.400555      0.950708
  C      -4.196128     -0.890454      3.248750
  C      -6.680615     -5.121487      7.096426
  C      -7.745056     -5.005383      6.283585
  C      -8.973620     -4.244953      6.712131
  C      -7.797046     -5.598580      4.895410
  C      -6.935976     -4.849062      3.808132
  C      -7.558228     -5.124893      2.413726
  C      -7.066474     -3.332538      3.983040
  C      -3.456555     -7.070196      8.767348
  C      -3.117981     -7.165711      7.465800
  C      -4.110862     -7.470211      6.396841
  C      -1.727783     -6.881538      6.985193
  C      -1.514961     -5.491692      6.242955
  C       0.025847     -5.311890      6.181898
  C      -2.057385     -4.378815      7.158840
  H      -2.342852      1.912540      0.043351
  H      -2.953663      0.288354     -0.649006
  H      -1.979567      0.805090      3.416331
  H      -1.399674      2.030098      2.243173
  H      -0.443726      0.561487      2.592811
  H      -1.638388     -1.669808      2.230949
  H      -2.199397     -1.766785      0.554749
  H      -4.963283     -0.314663      0.835597
  H      -5.828168     -1.816132      1.248224
  H      -4.591202     -1.810098     -0.032300
  H      -5.243144     -1.078623      3.522901
  H      -3.571207     -1.047091      4.122644
  H      -4.130434      0.170926      2.978960
  H      -5.789481     -5.686307      6.807855
  H      -6.686643     -4.660147      8.088154
  H      -9.843203     -4.923380      6.790349
  H      -9.243195     -3.481237      5.962439
  H      -8.832750     -3.751517      7.684582
  H      -7.473857     -6.649780      4.913372
  H      -8.849201     -5.599130      4.564036
  H      -7.597482     -6.189326      2.147237
  H      -6.987728     -4.592209      1.637309
  H      -8.591263     -4.747606      2.396641
  H      -8.088249     -3.017987      3.724786
  H      -6.883921     -3.007167      5.010802
  H      -6.361006     -2.831284      3.305228
  H      -4.478361     -7.246346      9.106275
  H      -2.718761     -6.823568      9.536502
  H      -4.065457     -6.648328      5.665607
  H      -3.811840     -8.376545      5.837528
  H      -5.132362     -7.607610      6.776712
  H      -1.048094     -6.885051      7.851699
  H      -1.382008     -7.679201      6.303992
  H       0.530581     -6.174528      5.721672
  H       0.438075     -5.195158      7.196356
  H       0.276415     -4.410483      5.604423
  H      -3.137600     -4.236299      7.041843
  H      -1.892906     -4.683722      8.204915
  H      -1.520354     -3.435248      7.025918
  N      -4.503657     -2.839783      5.526313
  H      -3.740408     -2.418936      6.057241
  H      -5.096880     -3.335192      6.199793
  H      -5.068718     -2.078407      5.150705
  N      -1.992242     -2.928722      4.384810
  N      -1.178576     -2.220226      4.679451
89
Coordinates from ORCA-job orca E -5532.114443562143
  N      -3.781521     -3.170139      2.274825
  C      -3.663025     -3.926255      1.017673
  C      -2.783188     -5.150667      1.233459
  N      -3.305225     -5.895214      2.390804
  C      -4.566216     -6.616235      2.056355
  C      -5.370264     -6.682710      3.342498
  N      -5.517860     -5.313998      3.882512
  Mo     -3.712851     -4.340624      3.952083
  N      -2.179532     -5.442741      4.890312
  C      -1.411780     -6.247029      3.943377
  C      -2.328616     -6.884536      2.925738
  H      -0.873669     -7.083529      4.437306
  H      -0.613201     -5.654015      3.436684
  H      -2.905582     -7.662272      3.443493
  H      -1.775910     -7.363222      2.095925
  H      -6.332429     -7.183560      3.168904
  H      -4.831259     -7.328951      4.049639
  H      -5.116321     -6.053431      1.293390
  H      -4.324475     -7.614882      1.647306
  H      -3.196316     -3.335020      0.214906
  H      -4.655198     -4.226496      0.619130
  H      -1.765138     -4.819825      1.485763
  H      -2.733763     -5.805060      0.343142
  C      -2.474237      0.856547      0.183367
  C      -2.124781      0.215050      1.312584
  C      -1.432353      0.932274      2.442726
  C      -2.360565     -1.267880      1.485515
  C      -3.782294     -1.713169      1.998340
  C      -4.843791     -1.383633      0.925585
  C      -4.157026     -0.888889      3.222791
  C      -6.643910     -5.157856      7.127300
  C      -7.706838     -5.032958      6.318282
  C      -8.922182     -4.268169      6.761750
  C      -7.775938     -5.613447      4.924830
  C      -6.932557     -4.854782      3.830777
  C      -7.574164     -5.113063      2.443210
  C      -7.064345     -3.344013      4.027417
  C      -3.467191     -7.108931      8.782277
  C      -3.137391     -7.199530      7.478652
  C      -4.120987     -7.546941      6.418224
  C      -1.760956     -6.862385      6.994187
  C      -1.582605     -5.470680      6.252628
  C      -0.046614     -5.245449      6.207736
  C      -2.181573     -4.374947      7.150629
  H      -2.309526      1.930761      0.055288
  H      -2.931046      0.322657     -0.655041
  H      -1.946412      0.777700      3.404028
  H      -1.361973      2.014223      2.249516
  H      -0.410808      0.536451      2.576973
  H      -1.622647     -1.683136      2.186359
  H      -2.189273     -1.753356      0.513086
  H      -4.945538     -0.296455      0.811618
  H      -5.818825     -1.792417      1.227988
  H      -4.589475     -1.796067     -0.059530
  H      -5.202902     -1.074121      3.505423
  H      -3.516212     -1.068641      4.082562
  H      -4.089616      0.176176      2.961810
  H      -5.766566     -5.737106      6.842286
  H      -6.654256     -4.696093      8.120242
  H      -9.793213     -4.935785      6.839298
  H      -9.188039     -3.499211      6.020181
  H      -8.774280     -3.785502      7.738017
  H      -7.449669     -6.661132      4.930109
  H      -8.829228     -5.613267      4.609988
  H      -7.617564     -6.170573      2.158461
  H      -7.015932     -4.569816      1.668167
  H      -8.604911     -4.736727      2.450150
  H      -8.088768     -3.031215      3.792210
  H      -6.866035     -3.027087      5.055863
  H      -6.374317     -2.834481      3.343920
  H      -4.476522     -7.318481      9.140873
  H      -2.726929     -6.834890      9.534306
  H      -4.097159     -6.750774      5.668993
  H      -3.798405     -8.454329      5.880899
  H      -5.140143     -7.692823      6.800231
  H      -1.087986     -6.841664      7.860231
  H      -1.383759     -7.646667      6.316865
  H       0.491369     -6.090950      5.760189
  H       0.345723     -5.111586      7.219433
  H       0.187793     -4.344783      5.633903
  H      -3.264895     -4.271199      7.004947
  H      -2.041234     -4.677381      8.200411
  H      -1.677859     -3.405918      7.035864
  N      -4.482193     -2.813283      5.488125
  H      -3.707320     -2.396561      6.022249
  H      -5.075368     -3.317340      6.163716
  H      -5.049056     -2.043246      5.122019
  N      -1.986138     -2.964058      4.309658
  N      -1.172029     -2.255566      4.652390
89
Coordinates from ORCA-job orca E -5532.121050156044
  N      -3.783299     -3.158679      2.237761
  C      -3.672401     -3.923586      0.989442
  C      -2.783152     -5.142008      1.208584
  N      -3.297442     -5.882931      2.370077
  C      -4.560007     -6.606095      2.035273
  C      -5.358954     -6.674212      3.322859
  N      -5.505575     -5.308890      3.874663
  Mo     -3.699226     -4.316081      3.926520
  N      -2.220444     -5.431496      4.901848
  C      -1.423539     -6.225872      3.949789
  C      -2.320238     -6.865538      2.913686
  H      -0.886441     -7.059467      4.444668
  H      -0.626499     -5.618016      3.460587
  H      -2.897921     -7.647273      3.424756
  H      -1.758267     -7.339382      2.085828
  H      -6.321366     -7.177155      3.153543
  H      -4.812721     -7.323892      4.022530
  H      -5.111601     -6.042448      1.273800
  H      -4.318994     -7.604142      1.624564
  H      -3.209769     -3.336037      0.182310
  H      -4.665004     -4.229319      0.598142
  H      -1.766121     -4.804794      1.452599
  H      -2.737607     -5.801055      0.321102
  C      -2.445954      0.879648      0.174172
  C      -2.102764      0.219265      1.287968
  C      -1.401706      0.911419      2.425591
  C      -2.350132     -1.262931      1.445312
  C      -3.775398     -1.701367      1.961094
  C      -4.847332     -1.360781      0.902227
  C      -4.124591     -0.880388      3.192046
  C      -6.601895     -5.203483      7.140704
  C      -7.671184     -5.062200      6.341711
  C      -8.877822     -4.297300      6.807654
  C      -7.757686     -5.623763      4.941474
  C      -6.921441     -4.855727      3.850169
  C      -7.576192     -5.097122      2.467480
  C      -7.046795     -3.351054      4.075496
  C      -3.478435     -7.136061      8.801285
  C      -3.152687     -7.232338      7.502237
  C      -4.127233     -7.627864      6.448459
  C      -1.789722     -6.849993      7.015997
  C      -1.644713     -5.455254      6.273951
  C      -0.118564     -5.186611      6.237607
  C      -2.291504     -4.379033      7.157820
  H      -2.270786      1.951155      0.064332
  H      -2.908816      0.365160     -0.668387
  H      -1.915638      0.747681      3.382786
  H      -1.319197      1.993196      2.251930
  H      -0.383810      0.501692      2.551154
  H      -1.614683     -1.688052      2.141973
  H      -2.183942     -1.743922      0.470566
  H      -4.941034     -0.272572      0.791072
  H      -5.821282     -1.763390      1.216317
  H      -4.607566     -1.773886     -0.086681
  H      -5.169533     -1.064745      3.485064
  H      -3.461421     -1.086389      4.032624
  H      -4.055117      0.187723      2.942865
  H      -5.736120     -5.790700      6.845771
  H      -6.605260     -4.752123      8.136769
  H      -9.749145     -4.961504      6.884115
  H      -9.148563     -3.517144      6.081445
  H      -8.720288     -3.830102      7.788663
  H      -7.433130     -6.671200      4.931063
  H      -8.812196     -5.617088      4.636129
  H      -7.622468     -6.148643      2.167306
  H      -7.024730     -4.544212      1.696959
  H      -8.605173     -4.721846      2.490311
  H      -8.072501     -3.033817      3.860147
  H      -6.834996     -3.051492      5.108044
  H      -6.367092     -2.831316      3.393583
  H      -4.478444     -7.372848      9.171123
  H      -2.738576     -6.830871      9.539377
  H      -4.125706     -6.853340      5.678143
  H      -3.782895     -8.537241      5.932655
  H      -5.143156     -7.781151      6.831908
  H      -1.119453     -6.805774      7.883258
  H      -1.388353     -7.626226      6.343301
  H       0.444328     -6.016788      5.787470
  H       0.254806     -5.051428      7.259893
  H       0.105173     -4.272153      5.672772
  H      -3.373745     -4.319760      6.995699
  H      -2.161137     -4.669711      8.207506
  H      -1.832496     -3.380888      7.047935
  N      -4.458398     -2.788196      5.455608
  H      -3.678954     -2.365602      5.989326
  H      -5.048051     -3.301201      6.133421
  H      -5.030323     -2.018460      5.094322
  N      -1.966166     -3.015370      4.216253
  N      -1.188410     -2.283136      4.617037
89
Coordinates from ORCA-job orca E -5532.126832160408
  N      -3.795170     -3.140943      2.205423
  C      -3.682819     -3.915207      0.967168
  C      -2.785056     -5.121436      1.186004
  N      -3.290159     -5.861851      2.353832
  C      -4.555612     -6.587475      2.021511
  C      -5.349429     -6.660154      3.310833
  N      -5.492003     -5.303108      3.868801
  Mo     -3.687623     -4.295667      3.912496
  N      -2.251453     -5.432864      4.936706
  C      -1.436561     -6.207966      3.972941
  C      -2.315740     -6.839621      2.909237
  H      -0.904460     -7.039689      4.464294
  H      -0.644595     -5.583676      3.505766
  H      -2.898116     -7.627952      3.407145
  H      -1.744210     -7.304428      2.083297
  H      -6.312115     -7.165249      3.142217
  H      -4.799994     -7.311416      4.008591
  H      -5.108759     -6.022058      1.262794
  H      -4.314878     -7.583620      1.608006
  H      -3.226554     -3.330345      0.153834
  H      -4.673845     -4.230887      0.583123
  H      -1.768256     -4.778138      1.420201
  H      -2.745169     -5.780639      0.296196
  C      -2.428085      0.899887      0.148007
  C      -2.089440      0.224062      1.249810
  C      -1.372990      0.893716      2.388402
  C      -2.353989     -1.254305      1.399412
  C      -3.782277     -1.679493      1.923812
  C      -4.862497     -1.330715      0.877010
  C      -4.109102     -0.853542      3.159674
  C      -6.565975     -5.263998      7.136662
  C      -7.642071     -5.089733      6.353412
  C      -8.832705     -4.314211      6.841321
  C      -7.743894     -5.631377      4.947290
  C      -6.906098     -4.853227      3.864592
  C      -7.567157     -5.084581      2.483479
  C      -7.027434     -3.350978      4.114416
  C      -3.501302     -7.183408      8.832571
  C      -3.164450     -7.269238      7.535870
  C      -4.122849     -7.711867      6.479464
  C      -1.810215     -6.841891      7.053550
  C      -1.693630     -5.449876      6.308146
  C      -0.178038     -5.147078      6.277611
  C      -2.374313     -4.392650      7.172908
  H      -2.238377      1.967509      0.051763
  H      -2.902132      0.403523     -0.695754
  H      -1.882203      0.725985      3.346630
  H      -1.273722      1.972920      2.229023
  H      -0.363251      0.466151      2.501674
  H      -1.621699     -1.684825      2.090587
  H      -2.196204     -1.735363      0.424373
  H      -4.946268     -0.241746      0.764853
  H      -5.834577     -1.724181      1.207286
  H      -4.640386     -1.747960     -0.114564
  H      -5.151407     -1.033180      3.466520
  H      -3.423424     -1.080768      3.982799
  H      -4.034197      0.214692      2.917210
  H      -5.720498     -5.861284      6.819038
  H      -6.542147     -4.833487      8.137259
  H      -9.711489     -4.970493      6.913244
  H      -9.101739     -3.516692      6.134192
  H      -8.660699     -3.867656      7.827556
  H      -7.424546     -6.683104      4.922626
  H      -8.801244     -5.615329      4.642191
  H      -7.611332     -6.135654      2.177649
  H      -7.016831     -4.524361      1.715741
  H      -8.598996     -4.711615      2.509457
  H      -8.058124     -3.029721      3.911326
  H      -6.808057     -3.072912      5.151809
  H      -6.353277     -2.814452      3.437718
  H      -4.496421     -7.457685      9.194177
  H      -2.776708     -6.849612      9.576271
  H      -4.141062     -6.945178      5.691177
  H      -3.757485     -8.621343      5.978392
  H      -5.135359     -7.880053      6.861245
  H      -1.140669     -6.772236      7.921882
  H      -1.388075     -7.612701      6.388624
  H       0.400712     -5.966091      5.843024
  H       0.178888     -4.996762      7.300068
  H       0.038436     -4.241812      5.708489
  H      -3.453924     -4.372681      6.995909
  H      -2.249324     -4.661791      8.224832
  H      -1.951097     -3.379174      7.053730
  N      -4.423952     -2.772741      5.450185
  H      -3.647545     -2.345396      5.978477
  H      -5.006582     -3.287593      6.128234
  H      -4.996157     -2.007576      5.090838
  N      -1.947105     -3.068607      4.134863
  N      -1.213435     -2.297055      4.557855
89
Coordinates from ORCA-job orca E -5532.131202758174
  N      -3.806992     -3.126339      2.181700
  C      -3.685563     -3.906396      0.947798
  C      -2.777489     -5.102841      1.170315
  N      -3.275547     -5.843717      2.343737
  C      -4.540196     -6.573424      2.015546
  C      -5.336238     -6.648808      3.304005
  N      -5.480224     -5.297055      3.863405
  Mo     -3.680432     -4.283955      3.899351
  N      -2.285267     -5.444556      4.967799
  C      -1.444784     -6.178531      3.998929
  C      -2.296735     -6.811469      2.909613
  H      -0.900415     -7.005090      4.486081
  H      -0.666392     -5.522603      3.553073
  H      -2.875437     -7.613607      3.389461
  H      -1.704757     -7.258670      2.089582
  H      -6.296341     -7.156459      3.131640
  H      -4.788219     -7.299923      4.004106
  H      -5.094712     -6.008051      1.258578
  H      -4.296023     -7.567942      1.600958
  H      -3.234320     -3.321729      0.129930
  H      -4.674237     -4.233496      0.565950
  H      -1.761990     -4.751353      1.400554
  H      -2.736446     -5.762741      0.280013
  C      -2.434588      0.902851      0.108145
  C      -2.088568      0.222906      1.208802
  C      -1.355869      0.886243      2.340838
  C      -2.362573     -1.252575      1.361839
  C      -3.789761     -1.666187      1.897358
  C      -4.872914     -1.315935      0.855295
  C      -4.103884     -0.837709      3.140105
  C      -6.524231     -5.284612      7.140211
  C      -7.607687     -5.094531      6.372421
  C      -8.785124     -4.310998      6.875471
  C      -7.724389     -5.628194      4.965094
  C      -6.892068     -4.847179      3.879598
  C      -7.567420     -5.067678      2.502386
  C      -7.003989     -3.344584      4.140134
  C      -3.528928     -7.248138      8.831403
  C      -3.178110     -7.317387      7.540663
  C      -4.122231     -7.782038      6.479628
  C      -1.828671     -6.860925      7.067912
  C      -1.741309     -5.457117      6.340050
  C      -0.232592     -5.104997      6.336535
  C      -2.466666     -4.428750      7.204221
  H      -2.238565      1.970360      0.010333
  H      -2.921387      0.409932     -0.731764
  H      -1.855672      0.717280      3.304887
  H      -1.251137      1.966105      2.182441
  H      -0.348551      0.452377      2.443145
  H      -1.628960     -1.684470      2.048888
  H      -2.214339     -1.735451      0.386662
  H      -4.949829     -0.226119      0.737367
  H      -5.844452     -1.701992      1.196005
  H      -4.661064     -1.741084     -0.135427
  H      -5.142153     -1.014289      3.458246
  H      -3.409776     -1.071553      3.955737
  H      -4.025529      0.230552      2.899755
  H      -5.688734     -5.886497      6.804380
  H      -6.474621     -4.861538      8.144207
  H      -9.669454     -4.961687      6.949557
  H      -9.054356     -3.505071      6.177143
  H      -8.599013     -3.873568      7.863837
  H      -7.409305     -6.681027      4.932767
  H      -8.783292     -5.607000      4.666411
  H      -7.618155     -6.119376      2.195171
  H      -7.019745     -4.507725      1.730609
  H      -8.598861     -4.689311      2.535513
  H      -8.034971     -3.015769      3.948368
  H      -6.773324     -3.078108      5.176856
  H      -6.334008     -2.803726      3.462144
  H      -4.522341     -7.548973      9.175554
  H      -2.823046     -6.898455      9.584370
  H      -4.146258     -7.016545      5.685733
  H      -3.748348     -8.696726      5.991038
  H      -5.136274     -7.954731      6.857844
  H      -1.159750     -6.783127      7.940142
  H      -1.389851     -7.620911      6.396874
  H       0.370143     -5.908179      5.878896
  H       0.108943     -4.973433      7.382869
  H      -0.029305     -4.164795      5.788401
  H      -3.542454     -4.444821      7.005733
  H      -2.355749     -4.695104      8.262538
  H      -2.068640     -3.407461      7.090798
  N      -4.387200     -2.764838      5.446470
  H      -3.610440     -2.343489      5.965132
  H      -4.964568     -3.270332      6.126415
  H      -4.955099     -1.999662      5.088439
  N      -1.948163     -3.100409      4.090824
  N      -1.226795     -2.311947      4.496768
89
Coordinates from ORCA-job orca E -5532.134648959382
  N      -3.819381     -3.108022      2.162470
  C      -3.684738     -3.897996      0.934624
  C      -2.769439     -5.087251      1.167030
  N      -3.265349     -5.824752      2.346577
  C      -4.529201     -6.554911      2.023986
  C      -5.328594     -6.626416      3.309515
  N      -5.471014     -5.277400      3.862528
  Mo     -3.673276     -4.269317      3.891159
  N      -2.319527     -5.461732      5.001518
  C      -1.461580     -6.156259      4.038771
  C      -2.286915     -6.785969      2.927214
  H      -0.909116     -6.980248      4.525304
  H      -0.693550     -5.477454      3.614912
  H      -2.865177     -7.598829      3.386775
  H      -1.672300     -7.218957      2.119502
  H      -6.287464     -7.135001      3.132725
  H      -4.785972     -7.276561      4.015303
  H      -5.083658     -5.990688      1.266728
  H      -4.283503     -7.549839      1.611697
  H      -3.238422     -3.317259      0.110277
  H      -4.670109     -4.236937      0.554512
  H      -1.754997     -4.731051      1.394948
  H      -2.727461     -5.749986      0.279114
  C      -2.446600      0.913513      0.070013
  C      -2.089885      0.229645      1.168894
  C      -1.339466      0.890619      2.291734
  C      -2.370747     -1.245091      1.323954
  C      -3.795185     -1.651197      1.872116
  C      -4.881739     -1.302144      0.834436
  C      -4.097373     -0.817892      3.119693
  C      -6.486932     -5.297796      7.138029
  C      -7.585415     -5.107597      6.383486
  C      -8.774691     -4.338558      6.901563
  C      -7.705696     -5.630775      4.973114
  C      -6.881857     -4.832793      3.891389
  C      -7.560570     -5.048904      2.514216
  C      -6.999810     -3.328528      4.159301
  C      -3.547238     -7.316468      8.839558
  C      -3.188665     -7.358339      7.545853
  C      -4.124236     -7.831748      6.476142
  C      -1.841733     -6.881900      7.082858
  C      -1.778650     -5.472273      6.371023
  C      -0.275706     -5.094906      6.381912
  C      -2.526565     -4.461489      7.231749
  H      -2.245504      1.981168     -0.029218
  H      -2.946570      0.423386     -0.765961
  H      -1.827181      0.721751      3.262628
  H      -1.232753      1.971552      2.131940
  H      -0.332652      0.452590      2.382193
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  H      -2.231810     -1.728577      0.347551
  H      -4.952757     -0.212366      0.710066
  H      -5.853212     -1.681234      1.184678
  H      -4.678413     -1.735308     -0.154124
  H      -5.130782     -0.991291      3.452139
  H      -3.398548     -1.048195      3.931175
  H      -4.015529      0.249556      2.875297
  H      -5.639768     -5.889396      6.781709
  H      -6.421748     -4.885062      8.148153
  H      -9.656168     -5.005024      6.973930
  H      -9.060821     -3.524881      6.213086
  H      -8.584801     -3.906513      7.894761
  H      -7.380734     -6.682446      4.927978
  H      -8.769222     -5.616524      4.679238
  H      -7.604856     -6.103041      2.206799
  H      -7.016192     -4.484005      1.741500
  H      -8.595465     -4.675212      2.547025
  H      -8.033381     -3.000261      3.974219
  H      -6.763997     -3.070773      5.194955
  H      -6.334591     -2.778020      3.480764
  H      -4.537789     -7.641024      9.165138
  H      -2.852694     -6.968791      9.613029
  H      -4.151046     -7.065809      5.683662
  H      -3.747134     -8.752595      5.994312
  H      -5.139910     -8.006693      6.852351
  H      -1.172211     -6.801987      7.957109
  H      -1.391078     -7.631128      6.405766
  H       0.344507     -5.887197      5.945877
  H       0.061235     -4.940900      7.412003
  H      -0.093847     -4.175188      5.825795
  H      -3.599858     -4.500286      7.034030
  H      -2.406813     -4.716106      8.287318
  H      -2.149634     -3.447827      7.107148
  N      -4.342597     -2.744295      5.439272
  H      -3.559153     -2.331452      5.947894
  H      -4.922273     -3.231663      6.124889
  H      -4.902143     -1.976653      5.072935
  N      -1.946887     -3.128325      4.054771
  N      -1.207237     -2.337065      4.407796
89
Coordinates from ORCA-job orca E -5532.136910864140
  N      -3.826816     -3.098945      2.148998
  C      -3.668961     -3.891812      0.924156
  C      -2.750636     -5.074841      1.168248
  N      -3.248287     -5.810619      2.349000
  C      -4.508322     -6.546711      2.030130
  C      -5.317971     -6.615251      3.309919
  N      -5.461564     -5.264918      3.854409
  Mo     -3.667188     -4.262353      3.884913
  N      -2.352269     -5.483715      5.030472
  C      -1.467104     -6.127449      4.071015
  C      -2.262355     -6.761179      2.939160
  H      -0.894533     -6.945545      4.550058
  H      -0.715510     -5.417519      3.665229
  H      -2.833297     -7.592984      3.374366
  H      -1.619101     -7.171869      2.142496
  H      -6.274474     -7.124943      3.123236
  H      -4.783813     -7.264273      4.022741
  H      -5.062861     -5.986806      1.269989
  H      -4.257937     -7.542295      1.621396
  H      -3.224766     -3.311802      0.099055
  H      -4.649031     -4.240960      0.538201
  H      -1.738893     -4.714422      1.402011
  H      -2.700890     -5.740159      0.283072
  C      -2.489516      0.923406      0.027499
  C      -2.113347      0.242377      1.126058
  C      -1.344530      0.910042      2.234603
  C      -2.388075     -1.235402      1.290436
  C      -3.805227     -1.645792      1.853388
  C      -4.899102     -1.308103      0.818792
  C      -4.104614     -0.808132      3.099349
  C      -6.442034     -5.322890      7.130950
  C      -7.532815     -5.090199      6.396849
  C      -8.673490     -4.281513      6.934299
  C      -7.687672     -5.607516      4.989059
  C      -6.871691     -4.818960      3.894597
  C      -7.565153     -5.035259      2.522765
  C      -6.980861     -3.312919      4.154227
  C      -3.579170     -7.422703      8.839033
  C      -3.206484     -7.425282      7.541392
  C      -4.120831     -7.898525      6.453642
  C      -1.865098     -6.916060      7.094397
  C      -1.825922     -5.491349      6.406841
  C      -0.330640     -5.064521      6.454618
  C      -2.616194     -4.513148      7.276505
  H      -2.290499      1.992789     -0.078895
  H      -3.002807      0.429020     -0.801395
  H      -1.816075      0.742045      3.215428
  H      -1.242575      1.991725      2.067564
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  H      -1.637112     -1.664080      1.969225
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  H      -4.971557     -0.219550      0.684039
  H      -5.868968     -1.685150      1.177249
  H      -4.699731     -1.751608     -0.165775
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  H      -3.404262     -1.019451      3.912040
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  H      -5.635843     -5.942452      6.757627
  H      -6.341006     -4.922353      8.140755
  H      -9.576464     -4.904943      7.015766
  H      -8.928966     -3.456406      6.254755
  H      -8.453391     -3.869248      7.925622
  H      -7.381956     -6.661533      4.936006
  H      -8.752558     -5.576379      4.713508
  H      -7.618131     -6.091359      2.224398
  H      -7.022969     -4.480021      1.741704
  H      -8.597101     -4.654337      2.558775
  H      -8.016606     -2.980977      3.979166
  H      -6.727189     -3.051626      5.186878
  H      -6.321185     -2.770656      3.460395
  H      -4.565867     -7.777330      9.143307
  H      -2.908064     -7.072321      9.630475
  H      -4.146730     -7.122360      5.671210
  H      -3.731432     -8.812193      5.970074
  H      -5.136258     -8.092518      6.822838
  H      -1.205814     -6.839013      7.974106
  H      -1.394922     -7.643095      6.407746
  H       0.319049     -5.832272      6.010425
  H      -0.011837     -4.920159      7.496583
  H      -0.169838     -4.123910      5.916506
  H      -3.688664     -4.578191      7.054622
  H      -2.510503     -4.779699      8.344395
  H      -2.239926     -3.486266      7.163846
  N      -4.320710     -2.739435      5.434404
  H      -3.531630     -2.329574      5.937678
  H      -4.907403     -3.213309      6.125555
  H      -4.874097     -1.972747      5.056773
  N      -1.943474     -3.144244      4.041151
  N      -1.176154     -2.367488      4.348346
89
Coordinates from ORCA-job orca E -5532.138329960212
  N      -3.831444     -3.089446      2.144401
  C      -3.661183     -3.884041      0.922791
  C      -2.747244     -5.068090      1.171734
  N      -3.244468     -5.800710      2.352586
  C      -4.503798     -6.539066      2.041006
  C      -5.313669     -6.603169      3.320241
  N      -5.457761     -5.248574      3.856068
  Mo     -3.659722     -4.254150      3.884658
  N      -2.377832     -5.506225      5.043606
  C      -1.473170     -6.114891      4.080118
  C      -2.251773     -6.747909      2.939719
  H      -0.880482     -6.930003      4.544837
  H      -0.737276     -5.384554      3.681766
  H      -2.814673     -7.595070      3.355025
  H      -1.591542     -7.139686      2.146234
  H      -6.269579     -7.113612      3.128954
  H      -4.782626     -7.251134      4.035746
  H      -5.062413     -5.981700      1.281274
  H      -4.254239     -7.535759      1.633368
  H      -3.218583     -3.306502      0.096771
  H      -4.639133     -4.235608      0.535241
  H      -1.736155     -4.709822      1.406876
  H      -2.697304     -5.735448      0.289619
  C      -2.502255      0.933047      0.023395
  C      -2.113685      0.245125      1.111543
  C      -1.326157      0.905996      2.210321
  C      -2.392047     -1.231626      1.269870
  C      -3.803565     -1.640038      1.844484
  C      -4.900426     -1.303370      0.815508
  C      -4.092160     -0.798264      3.086825
  C      -6.421207     -5.291466      7.140735
  C      -7.531771     -5.088298      6.402436
  C      -8.703076     -4.303053      6.937364
  C      -7.677409     -5.615292      4.993381
  C      -6.870906     -4.811448      3.902556
  C      -7.563802     -5.028108      2.531013
  C      -6.990559     -3.307470      4.166177
  C      -3.582541     -7.439529      8.823633
  C      -3.206315     -7.451015      7.540381
  C      -4.117223     -7.935919      6.462679
  C      -1.869704     -6.932983      7.094093
  C      -1.848428     -5.506696      6.417692
  C      -0.361477     -5.058836      6.475442
  C      -2.646243     -4.539182      7.289795
  H      -2.299239      2.001496     -0.079963
  H      -3.029909      0.446825     -0.800473
  H      -1.782894      0.736031      3.198367
  H      -1.224068      1.987468      2.044565
  H      -0.317051      0.468149      2.269830
  H      -1.637024     -1.667064      1.937148
  H      -2.270545     -1.709728      0.287774
  H      -4.966040     -0.217203      0.672728
  H      -5.869759     -1.669639      1.181416
  H      -4.707518     -1.757234     -0.166207
  H      -5.118543     -0.972118      3.441216
  H      -3.387040     -0.998048      3.896564
  H      -4.017358      0.265645      2.824412
  H      -5.588609     -5.895212      6.768887
  H      -6.325424     -4.883118      8.151913
  H      -9.593501     -4.953677      7.019126
  H      -8.984766     -3.480878      6.256183
  H      -8.490361     -3.878214      7.929647
  H      -7.352137     -6.668208      4.940552
  H      -8.746525     -5.602738      4.714075
  H      -7.611072     -6.083363      2.232187
  H      -7.023901     -4.469747      1.751790
  H      -8.596761     -4.652589      2.566800
  H      -8.026867     -2.980658      3.993291
  H      -6.735194     -3.047375      5.198465
  H      -6.334692     -2.762427      3.472288
  H      -4.569220     -7.796446      9.124935
  H      -2.923383     -7.069726      9.600324
  H      -4.151151     -7.165363      5.684084
  H      -3.723833     -8.848862      5.989724
  H      -5.131820     -8.128607      6.835825
  H      -1.209346     -6.857445      7.970283
  H      -1.396816     -7.649486      6.403563
  H       0.301159     -5.811898      6.014088
  H      -0.043623     -4.933080      7.529442
  H      -0.220062     -4.093740      5.953617
  H      -3.721299     -4.612324      7.080504
  H      -2.517312     -4.795541      8.350075
  H      -2.281474     -3.514231      7.164534
  N      -4.297361     -2.733332      5.436326
  H      -3.500030     -2.320650      5.931536
  H      -4.885653     -3.196973      6.138038
  H      -4.849637     -1.968261      5.050383
  N      -1.933823     -3.164425      4.024856
  N      -1.116272     -2.401377      4.261630
89
Coordinates from ORCA-job orca E -5532.139580659320
  N      -3.828306     -3.091620      2.130550
  C      -3.647833     -3.893531      0.915180
  C      -2.741623     -5.081301      1.177413
  N      -3.244121     -5.803802      2.359902
  C      -4.503283     -6.544255      2.054537
  C      -5.318346     -6.595727      3.332237
  N      -5.464500     -5.233125      3.856575
  Mo     -3.661341     -4.244144      3.881454
  N      -2.410491     -5.515713      5.044446
  C      -1.482601     -6.107136      4.089391
  C      -2.246152     -6.745944      2.947331
  H      -0.874831     -6.913156      4.549054
  H      -0.756468     -5.366261      3.694020
  H      -2.803813     -7.601663      3.349889
  H      -1.571687     -7.125530      2.159262
  H      -6.273711     -7.105513      3.135941
  H      -4.792662     -7.241368      4.052893
  H      -5.061936     -5.993454      1.289081
  H      -4.255599     -7.544623      1.655383
  H      -3.201155     -3.322420      0.087457
  H      -4.624933     -4.245681      0.523664
  H      -1.729839     -4.727420      1.415697
  H      -2.690535     -5.756086      0.300878
  C      -2.507342      0.953459      0.052404
  C      -2.111236      0.247376      1.119939
  C      -1.315397      0.886939      2.220625
  C      -2.388426     -1.228740      1.253472
  C      -3.798867     -1.643308      1.825374
  C      -4.898858     -1.313380      0.791931
  C      -4.089931     -0.801558      3.064672
  C      -6.461738     -5.308563      7.145272
  C      -7.551729     -5.076545      6.396370
  C      -8.709475     -4.272529      6.929019
  C      -7.691537     -5.589550      4.981858
  C      -6.874759     -4.792873      3.900883
  C      -7.561794     -5.000150      2.527609
  C      -6.979291     -3.292326      4.170273
  C      -3.494885     -7.504867      8.860965
  C      -3.163078     -7.487979      7.554392
  C      -4.094815     -7.979480      6.487034
  C      -1.848745     -6.938123      7.078985
  C      -1.873481     -5.498525      6.417178
  C      -0.403406     -5.013499      6.458443
  C      -2.688707     -4.549884      7.304206
  H      -2.303289      2.021599     -0.033281
  H      -3.043019      0.484814     -0.772253
  H      -1.765825      0.700482      3.206424
  H      -1.215452      1.969556      2.073536
  H      -0.303697      0.449632      2.263092
  H      -1.633661     -1.677147      1.907160
  H      -2.267844     -1.687669      0.264768
  H      -4.963581     -0.225926      0.636281
  H      -5.869100     -1.674599      1.159386
  H      -4.705639     -1.780778     -0.185343
  H      -5.116531     -0.986633      3.417496
  H      -3.377441     -0.994649      3.874863
  H      -4.028200      0.265628      2.802045
  H      -5.638952     -5.925768      6.776986
  H      -6.376855     -4.911216      8.162473
  H      -9.612642     -4.898556      6.991852
  H      -8.961233     -3.439960      6.256167
  H      -8.502821     -3.864941      7.930095
  H      -7.379887     -6.641883      4.919494
  H      -8.753406     -5.560586      4.701047
  H      -7.621621     -6.051766      2.224746
  H      -7.012946     -4.449074      1.753456
  H      -8.586808     -4.612485      2.562287
  H      -8.003103     -2.954157      3.994293
  H      -6.726389     -3.033443      5.201772
  H      -6.316390     -2.760716      3.483975
  H      -4.462090     -7.885419      9.191830
  H      -2.809283     -7.145067      9.636288
  H      -4.152371     -7.213075      5.708781
  H      -3.699739     -8.893456      6.008244
  H      -5.101617     -8.181205      6.875178
  H      -1.168649     -6.869546      7.946132
  H      -1.376884     -7.637614      6.358854
  H       0.283928     -5.743421      5.996466
  H      -0.085610     -4.875944      7.503065
  H      -0.299760     -4.050506      5.935144
  H      -3.761363     -4.645990      7.124260
  H      -2.525098     -4.794945      8.351203
  H      -2.366966     -3.518271      7.166049
  N      -4.306176     -2.726750      5.424854
  H      -3.511613     -2.295729      5.901919
  H      -4.882369     -3.180478      6.141101
  H      -4.870120     -1.975887      5.032281
  N      -1.944954     -3.172807      4.007429
  N      -1.114444     -2.429054      4.253278
89
Coordinates from ORCA-job orca E -5532.140345169930
  N      -3.815251     -3.089650      2.124840
  C      -3.633871     -3.892612      0.916483
  C      -2.737421     -5.079473      1.181061
  N      -3.244517     -5.798089      2.362588
  C      -4.506934     -6.534238      2.061131
  C      -5.320667     -6.580333      3.341706
  N      -5.470048     -5.217251      3.858392
  Mo     -3.661193     -4.235407      3.887413
  N      -2.426535     -5.533230      5.050118
  C      -1.492205     -6.128576      4.101191
  C      -2.251152     -6.748508      2.945044
  H      -0.894683     -6.941057      4.556275
  H      -0.756852     -5.393351      3.717333
  H      -2.814601     -7.610752      3.328106
  H      -1.570655     -7.116452      2.156836
  H      -6.276046     -7.089874      3.141284
  H      -4.795443     -7.223549      4.065818
  H      -5.065528     -5.983730      1.294260
  H      -4.265886     -7.536913      1.664354
  H      -3.186724     -3.325195      0.086153
  H      -4.612032     -4.244609      0.526782
  H      -1.722154     -4.734240      1.418537
  H      -2.692561     -5.754629      0.304210
  C      -2.511891      0.971601      0.038739
  C      -2.108391      0.263173      1.101732
  C      -1.311862      0.903494      2.205820
  C      -2.376648     -1.218148      1.236752
  C      -3.785221     -1.640310      1.814604
  C      -4.896615     -1.316290      0.788007
  C      -4.077564     -0.797020      3.049998
  C      -6.479794     -5.334150      7.142377
  C      -7.560649     -5.074431      6.393758
  C      -8.704319     -4.256764      6.931022
  C      -7.703671     -5.575990      4.976974
  C      -6.881506     -4.780611      3.898725
  C      -7.563419     -4.998401      2.523836
  C      -6.988218     -3.279348      4.167010
  C      -3.474455     -7.519809      8.860443
  C      -3.144090     -7.511196      7.565315
  C      -4.070344     -8.020849      6.505611
  C      -1.839426     -6.943509      7.085301
  C      -1.879067     -5.505327      6.425067
  C      -0.417147     -4.996772      6.464753
  C      -2.703157     -4.576263      7.325686
  H      -2.311357      2.041740     -0.040421
  H      -3.048762      0.504280     -0.788483
  H      -1.760911      0.714050      3.189817
  H      -1.215775      1.987166      2.064672
  H      -0.298157      0.465052      2.246177
  H      -1.614181     -1.660815      1.890937
  H      -2.256710     -1.679475      0.247275
  H      -4.959976     -0.230371      0.622454
  H      -5.866278     -1.673610      1.168145
  H      -4.712619     -1.791443     -0.185837
  H      -5.103520     -0.990207      3.402694
  H      -3.357258     -0.983888      3.857485
  H      -4.025213      0.269565      2.787530
  H      -5.671513     -5.958602      6.767260
  H      -6.388724     -4.951859      8.161727
  H      -9.617664     -4.869405      6.987911
  H      -8.941392     -3.413265      6.266021
  H      -8.492394     -3.863461      7.934766
  H      -7.399746     -6.629665      4.910207
  H      -8.765571     -5.538644      4.695724
  H      -7.619596     -6.053167      2.228359
  H      -7.011397     -4.451190      1.747644
  H      -8.591199     -4.613123      2.552241
  H      -8.023633     -2.945558      4.005053
  H      -6.718709     -3.019763      5.197891
  H      -6.334847     -2.742753      3.464894
  H      -4.439620     -7.906151      9.194804
  H      -2.788191     -7.148370      9.628307
  H      -4.144988     -7.249229      5.727424
  H      -3.658755     -8.920938      6.018370
  H      -5.067651     -8.249513      6.899923
  H      -1.155841     -6.870300      7.945935
  H      -1.369039     -7.633947      6.363914
  H       0.284937     -5.710745      6.029701
  H      -0.112317     -4.834871      7.498845
  H      -0.321893     -4.055784      5.928681
  H      -3.776113     -4.695192      7.148322
  H      -2.524412     -4.824973      8.386057
  H      -2.400896     -3.521521      7.174917
  N      -4.309797     -2.734386      5.439801
  H      -3.518362     -2.288047      5.908863
  H      -4.875805     -3.185003      6.164611
  H      -4.881401     -1.990013      5.041751
  N      -1.943341     -3.179230      4.007765
  N      -1.133778     -2.403721      4.196733
89
Coordinates from ORCA-job orca E -5532.140816138036
  N      -3.818471     -3.073481      2.131922
  C      -3.641340     -3.880151      0.924236
  C      -2.744646     -5.070843      1.185588
  N      -3.251628     -5.790693      2.367703
  C      -4.515896     -6.519616      2.067641
  C      -5.324412     -6.561502      3.348629
  N      -5.475236     -5.196597      3.853445
  Mo     -3.660293     -4.219940      3.887517
  N      -2.444451     -5.538092      5.051484
  C      -1.505780     -6.137534      4.109347
  C      -2.260037     -6.749064      2.942219
  H      -0.912571     -6.949711      4.564383
  H      -0.765059     -5.405076      3.731337
  H      -2.823700     -7.617829      3.310222
  H      -1.574907     -7.103677      2.152477
  H      -6.279872     -7.071025      3.148958
  H      -4.797751     -7.198863      4.077022
  H      -5.074568     -5.966875      1.302063
  H      -4.281181     -7.523487      1.669886
  H      -3.196028     -3.312232      0.092612
  H      -4.621226     -4.232835      0.537934
  H      -1.727970     -4.725897      1.421905
  H      -2.700156     -5.746491      0.308610
  C      -2.500456      0.960044      0.009668
  C      -2.095512      0.259603      1.081704
  C      -1.286010      0.903787      2.178170
  C      -2.374662     -1.219391      1.231407
  C      -3.780340     -1.625837      1.818945
  C      -4.885311     -1.297920      0.792845
  C      -4.069495     -0.774555      3.053735
  C      -6.472513     -5.376233      7.121552
  C      -7.555221     -5.101802      6.386556
  C      -8.691823     -4.290089      6.942180
  C      -7.705787     -5.584268      4.967549
  C      -6.892854     -4.771801      3.889447
  C      -7.569350     -5.001440      2.511664
  C      -7.025765     -3.267813      4.156450
  C      -3.461948     -7.549361      8.887718
  C      -3.143645     -7.509764      7.580055
  C      -4.060657     -8.025215      6.519157
  C      -1.847339     -6.921075      7.096738
  C      -1.891612     -5.494688      6.428225
  C      -0.430141     -4.983777      6.471084
  C      -2.705656     -4.564121      7.319375
  H      -2.291383      2.027211     -0.081322
  H      -3.045169      0.488842     -0.813838
  H      -1.728847      0.735064      3.172134
  H      -1.176500      1.983869      2.022154
  H      -0.284352      0.449974      2.216014
  H      -1.613206     -1.661466      1.887210
  H      -2.264789     -1.691218      0.240616
  H      -4.932012     -0.216606      0.616422
  H      -5.856927     -1.633770      1.181167
  H      -4.710655     -1.787121     -0.176181
  H      -5.090948     -0.966027      3.414605
  H      -3.345111     -0.950344      3.858705
  H      -4.022884      0.288312      2.784455
  H      -5.668905     -5.990058      6.729226
  H      -6.373829     -5.013226      8.142057
  H      -9.608244     -4.902124      6.997226
  H      -8.928062     -3.434830      6.290650
  H      -8.472645     -3.914647      7.947527
  H      -7.396141     -6.636593      4.889075
  H      -8.773840     -5.550855      4.695844
  H      -7.610649     -6.060575      2.219360
  H      -7.020134     -4.447313      1.733585
  H      -8.606146     -4.628975      2.536720
  H      -8.074934     -2.951484      4.000771
  H      -6.756155     -3.004694      5.186169
  H      -6.383237     -2.714849      3.447081
  H      -4.415383     -7.959358      9.229084
  H      -2.776982     -7.181169      9.659249
  H      -4.145133     -7.249043      5.739960
  H      -3.634113     -8.910179      6.020789
  H      -5.049431     -8.283533      6.914990
  H      -1.163214     -6.841316      7.949226
  H      -1.376506     -7.602187      6.379783
  H       0.270262     -5.693652      6.022496
  H      -0.118955     -4.836778      7.516559
  H      -0.337983     -4.030614      5.945008
  H      -3.784564     -4.677964      7.152500
  H      -2.508468     -4.801578      8.376181
  H      -2.399590     -3.517869      7.155675
  N      -4.324612     -2.737805      5.448142
  H      -3.536598     -2.280947      5.918101
  H      -4.885765     -3.192606      6.175978
  H      -4.901848     -1.995768      5.047349
  N      -1.929539     -3.175392      4.002741
  N      -1.037373     -2.500490      4.255702
89
Coordinates from ORCA-job orca E -5532.141562229403
  N      -3.817169     -3.078069      2.137677
  C      -3.641396     -3.885973      0.932083
  C      -2.741488     -5.074116      1.191627
  N      -3.244841     -5.796516      2.375287
  C      -4.509189     -6.527931      2.076187
  C      -5.320021     -6.566126      3.357416
  N      -5.478668     -5.200542      3.853408
  Mo     -3.662011     -4.224164      3.895580
  N      -2.439994     -5.543786      5.056597
  C      -1.502017     -6.150188      4.116058
  C      -2.253882     -6.754535      2.947082
  H      -0.919043     -6.968923      4.572481
  H      -0.752424     -5.421924      3.744896
  H      -2.816822     -7.623503      3.311896
  H      -1.569576     -7.105028      2.155223
  H      -6.272144     -7.082860      3.160624
  H      -4.789987     -7.193605      4.092466
  H      -5.067571     -5.979687      1.308353
  H      -4.272799     -7.532734      1.682245
  H      -3.197920     -3.318804      0.098817
  H      -4.621029     -4.241621      0.548227
  H      -1.723525     -4.729786      1.423217
  H      -2.701056     -5.747710      0.312416
  C      -2.536656      0.982051      0.034414
  C      -2.111110      0.264709      1.085779
  C      -1.279458      0.888324      2.169815
  C      -2.387048     -1.214011      1.223289
  C      -3.787763     -1.627991      1.825043
  C      -4.905464     -1.304705      0.808419
  C      -4.073123     -0.779678      3.062754
  C      -6.490258     -5.355203      7.109902
  C      -7.574459     -5.079646      6.365934
  C      -8.705632     -4.253093      6.908862
  C      -7.721831     -5.568270      4.946584
  C      -6.891993     -4.769486      3.874519
  C      -7.558025     -4.992159      2.491446
  C      -7.009169     -3.267697      4.144154
  C      -3.443935     -7.556193      8.897247
  C      -3.129374     -7.516263      7.588110
  C      -4.049745     -8.034389      6.528700
  C      -1.832716     -6.931250      7.100734
  C      -1.878824     -5.500579      6.435517
  C      -0.416603     -4.992477      6.470735
  C      -2.686370     -4.568687      7.333735
  H      -2.328699      2.050106     -0.045840
  H      -3.098351      0.526422     -0.780420
  H      -1.704171      0.697762      3.167954
  H      -1.172493      1.970284      2.028770
  H      -0.276303      0.439206      2.178057
  H      -1.615139     -1.663073      1.862051
  H      -2.289359     -1.670499      0.228451
  H      -4.955333     -0.223458      0.628524
  H      -5.874177     -1.642668      1.208304
  H      -4.740530     -1.794172     -0.160214
  H      -5.091838     -0.979049      3.428240
  H      -3.343847     -0.954614      3.861633
  H      -4.032580      0.284098      2.795679
  H      -5.685728     -5.974942      6.723545
  H      -6.386051     -4.981464      8.130123
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  H      -8.931711     -3.399142      6.250454
  H      -8.486677     -3.872968      7.914393
  H      -7.421895     -6.624523      4.876368
  H      -8.786192     -5.524458      4.662622
  H      -7.610253     -6.049830      2.200082
  H      -6.995921     -4.447181      1.718163
  H      -8.588559     -4.607210      2.506621
  H      -8.038706     -2.935792      3.963551
  H      -6.764915     -3.011440      5.177526
  H      -6.344999     -2.726247      3.461949
  H      -4.395628     -7.967730      9.241891
  H      -2.767329     -7.174255      9.656714
  H      -4.140086     -7.256632      5.751370
  H      -3.620369     -8.916369      6.026375
  H      -5.037811     -8.298413      6.926266
  H      -1.138901     -6.858260      7.951758
  H      -1.370497     -7.616027      6.373557
  H       0.280916     -5.704730      6.003904
  H      -0.098115     -4.858146      7.522483
  H      -0.325656     -4.024803      5.953155
  H      -3.765167     -4.695130      7.193538
  H      -2.463571     -4.783638      8.381166
  H      -2.405508     -3.525485      7.146296
  N      -4.335083     -2.755741      5.463157
  H      -3.550262     -2.295110      5.944744
  H      -4.904783     -3.216503      6.186646
  H      -4.909232     -2.012877      5.055446
  N      -1.934350     -3.179957      4.015594
  N      -1.077279     -2.444106      4.179985
89
Coordinates from ORCA-job orca E -5532.141473540412
  N      -3.814504     -3.085245      2.134271
  C      -3.653683     -3.893436      0.922883
  C      -2.745933     -5.086146      1.178976
  N      -3.239096     -5.810990      2.366709
  C      -4.502302     -6.544672      2.067123
  C      -5.312209     -6.579140      3.347872
  N      -5.477561     -5.207896      3.841837
  Mo     -3.659670     -4.226335      3.877579
  N      -2.458948     -5.544818      5.036421
  C      -1.501941     -6.139152      4.100534
  C      -2.238779     -6.760895      2.933426
  H      -0.904321     -6.949414      4.563585
  H      -0.761152     -5.394742      3.730550
  H      -2.788206     -7.635507      3.301329
  H      -1.550534     -7.101873      2.140043
  H      -6.262171     -7.101528      3.160995
  H      -4.773564     -7.198865      4.082514
  H      -5.061762     -5.998696      1.299408
  H      -4.263289     -7.549732      1.674431
  H      -3.210922     -3.325596      0.089539
  H      -4.636457     -4.245283      0.543763
  H      -1.728987     -4.735831      1.404304
  H      -2.705534     -5.761241      0.301845
  C      -2.516965      0.972060      0.064193
  C      -2.105292      0.254519      1.119202
  C      -1.302405      0.883881      2.224839
  C      -2.380134     -1.224156      1.242106
  C      -3.783935     -1.636481      1.830200
  C      -4.894083     -1.308732      0.807743
  C      -4.071305     -0.798206      3.075202
  C      -6.443143     -5.276305      7.125832
  C      -7.542779     -5.039572      6.380149
  C      -8.681973     -4.218195      6.914499
  C      -7.703727     -5.558117      4.968946
  C      -6.891388     -4.778661      3.869999
  C      -7.578398     -5.016191      2.499085
  C      -7.003915     -3.274663      4.117075
  C      -3.432447     -7.532645      8.873700
  C      -3.125662     -7.513376      7.572532
  C      -4.055006     -8.034860      6.524092
  C      -1.832192     -6.934279      7.078556
  C      -1.899813     -5.496507      6.420241
  C      -0.443077     -4.967322      6.452006
  C      -2.738660     -4.585535      7.328645
  H      -2.317445      2.043211     -0.007466
  H      -3.058380      0.512798     -0.763702
  H      -1.746496      0.687312      3.210218
  H      -1.209363      1.971936      2.091881
  H      -0.286922      0.444981      2.254142
  H      -1.616684     -1.680601      1.882289
  H      -2.276151     -1.673927      0.246366
  H      -4.940133     -0.225318      0.624024
  H      -5.865279     -1.640241      1.201584
  H      -4.726579     -1.804528     -0.158781
  H      -5.087510     -1.006669      3.440952
  H      -3.339135     -0.975349      3.870926
  H      -4.040258      0.269551      2.814169
  H      -5.623817     -5.891426      6.752928
  H      -6.342394     -4.869260      8.140777
  H      -9.595360     -4.829872      6.983748
  H      -8.923547     -3.381033      6.238001
  H      -8.460688     -3.812960      7.914133
  H      -7.400044     -6.613550      4.918414
  H      -8.769573     -5.523708      4.695471
  H      -7.645910     -6.075023      2.221322
  H      -7.024756     -4.488168      1.710110
  H      -8.602743     -4.622198      2.525508
  H      -8.031590     -2.946525      3.940274
  H      -6.750979     -2.999413      5.144865
  H      -6.346291     -2.744521      3.422777
  H      -4.384140     -7.932410      9.230627
  H      -2.742717     -7.146398      9.618585
  H      -4.146022     -7.273863      5.740892
  H      -3.626770     -8.925141      6.032246
  H      -5.046472     -8.289848      6.923780
  H      -1.128780     -6.864090      7.926778
  H      -1.373116     -7.619424      6.338368
  H       0.269853     -5.669573      5.988587
  H      -0.128218     -4.818438      7.491749
  H      -0.366999     -4.007257      5.932052
  H      -3.813518     -4.735309      7.177100
  H      -2.530329     -4.820529      8.383912
  H      -2.476420     -3.525071      7.168686
  N      -4.341058     -2.771115      5.450373
  H      -3.565084     -2.296886      5.913195
  H      -4.885144     -3.241605      6.180090
  H      -4.938198     -2.044249      5.063788
  N      -1.937443     -3.183750      3.993815
  N      -1.068353     -2.479152      4.219975
89
Coordinates from ORCA-job orca E -5532.142224965305
  N      -3.817269     -3.076323      2.137002
  C      -3.656865     -3.889879      0.930855
  C      -2.753586     -5.080561      1.187803
  N      -3.245517     -5.801762      2.379093
  C      -4.513398     -6.531047      2.085357
  C      -5.320081     -6.557954      3.367981
  N      -5.480121     -5.186720      3.853236
  Mo     -3.658106     -4.211742      3.889162
  N      -2.452294     -5.542606      5.049695
  C      -1.505644     -6.147111      4.110787
  C      -2.250418     -6.757187      2.944012
  H      -0.919600     -6.965449      4.571402
  H      -0.757866     -5.414815      3.742761
  H      -2.804283     -7.630031      3.309072
  H      -1.566373     -7.099329      2.149002
  H      -6.272476     -7.080129      3.184838
  H      -4.781510     -7.173432      4.106943
  H      -5.072567     -5.985610      1.316832
  H      -4.279775     -7.538254      1.695796
  H      -3.216198     -3.327019      0.092836
  H      -4.639752     -4.242820      0.555990
  H      -1.734593     -4.734977      1.407962
  H      -2.720350     -5.755636      0.310117
  C      -2.505537      0.968674      0.035430
  C      -2.099280      0.252493      1.092452
  C      -1.289916      0.880026      2.194911
  C      -2.383679     -1.223665      1.222560
  C      -3.784361     -1.627501      1.823459
  C      -4.899991     -1.303433      0.805900
  C      -4.062154     -0.778418      3.065131
  C      -6.509720     -5.376289      7.106438
  C      -7.584979     -5.084052      6.360457
  C      -8.725209     -4.266399      6.911352
  C      -7.728609     -5.555024      4.935289
  C      -6.892439     -4.756033      3.870271
  C      -7.551593     -4.980718      2.486030
  C      -7.014426     -3.254655      4.139868
  C      -3.412709     -7.531820      8.894251
  C      -3.109760     -7.508274      7.591220
  C      -4.039955     -8.038049      6.545251
  C      -1.817544     -6.925289      7.093443
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  C      -0.423173     -4.975152      6.447977
  C      -2.703056     -4.575761      7.335046
  H      -2.296168      2.035871     -0.038043
  H      -3.049822      0.512035     -0.792831
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  H      -1.185335      1.964175      2.057729
  H      -0.282287      0.428779      2.224182
  H      -1.619271     -1.679057      1.860902
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  H      -4.940053     -0.221723      0.612334
  H      -5.869079     -1.625192      1.211933
  H      -4.744230     -1.809344     -0.158598
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  H      -4.030050      0.286826      2.793734
  H      -5.699678     -5.993613      6.715156
  H      -6.420012     -5.017791      8.134592
  H      -9.650308     -4.867318      6.939335
  H      -8.941208     -3.399825      6.270053
  H      -8.520031     -3.905248      7.929003
  H      -7.438347     -6.612271      4.853640
  H      -8.789857     -5.498039      4.651423
  H      -7.605174     -6.039175      2.197837
  H      -6.984894     -4.440744      1.714474
  H      -8.579715     -4.592671      2.495615
  H      -8.049711     -2.926143      3.966217
  H      -6.764727     -2.998521      5.175349
  H      -6.355353     -2.706827      3.451744
  H      -4.362744     -7.937786      9.249905
  H      -2.710880     -7.155974      9.652478
  H      -4.143598     -7.273767      5.765249
  H      -3.604739     -8.921871      6.046777
  H      -5.024639     -8.306316      6.949266
  H      -1.114127     -6.846788      7.937318
  H      -1.359290     -7.613299      6.361657
  H       0.279483     -5.682957      5.980441
  H      -0.099989     -4.831117      7.489003
  H      -0.342846     -4.013334      5.928532
  H      -3.779414     -4.730564      7.206789
  H      -2.468954     -4.790451      8.387346
  H      -2.448568     -3.519295      7.148869
  N      -4.332624     -2.760956      5.468283
  H      -3.553648     -2.291659      5.942883
  H      -4.891541     -3.230234      6.190993
  H      -4.918657     -2.024750      5.070439
  N      -1.925231     -3.182183      3.994144
  N      -1.058705     -2.458685      4.168538
89
Coordinates from ORCA-job orca E -5532.142242367662
  N      -3.809117     -3.081404      2.136250
  C      -3.642401     -3.892262      0.929583
  C      -2.739792     -5.080030      1.187852
  N      -3.236759     -5.804441      2.375859
  C      -4.505079     -6.532903      2.075290
  C      -5.316835     -6.562794      3.356275
  N      -5.481871     -5.193526      3.844949
  Mo     -3.661830     -4.215101      3.888397
  N      -2.455860     -5.547888      5.056093
  C      -1.506116     -6.153811      4.124878
  C      -2.243580     -6.760069      2.946501
  H      -0.926780     -6.969482      4.591966
  H      -0.755008     -5.422479      3.764122
  H      -2.801601     -7.637140      3.304236
  H      -1.553061     -7.096618      2.154654
  H      -6.267577     -7.086842      3.170887
  H      -4.776967     -7.177211      4.095631
  H      -5.060056     -5.985013      1.304834
  H      -4.270642     -7.539552      1.684717
  H      -3.197187     -3.327954      0.095096
  H      -4.624307     -4.245702      0.549337
  H      -1.720927     -4.733598      1.414273
  H      -2.700994     -5.752797      0.307194
  C      -2.540741      0.992887      0.034864
  C      -2.115725      0.271916      1.084181
  C      -1.282662      0.890282      2.168957
  C      -2.390026     -1.208986      1.215985
  C      -3.787524     -1.628267      1.828266
  C      -4.916886     -1.304074      0.825695
  C      -4.066286     -0.788493      3.073099
  C      -6.482409     -5.322925      7.107622
  C      -7.564983     -5.041785      6.364584
  C      -8.688898     -4.205898      6.906697
  C      -7.724834     -5.540394      4.948689
  C      -6.894388     -4.762203      3.860962
  C      -7.566043     -5.011430      2.484368
  C      -7.011909     -3.255767      4.105016
  C      -3.431898     -7.590835      8.898791
  C      -3.118088     -7.530905      7.588365
  C      -4.026858     -8.057975      6.523531
  C      -1.828556     -6.925083      7.105252
  C      -1.888699     -5.496618      6.436997
  C      -0.430196     -4.973888      6.470483
  C      -2.705628     -4.580230      7.337841
  H      -2.333694      2.061751     -0.041079
  H      -3.098955      0.539125     -0.783535
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  H      -1.171801      1.971218      2.031861
  H      -0.281916      0.438382      2.174796
  H      -1.609943     -1.661749      1.845686
  H      -2.303581     -1.660899      0.218727
  H      -4.962257     -0.224067      0.637921
  H      -5.884750     -1.632148      1.240579
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  H      -5.077099     -1.001588      3.452248
  H      -3.324048     -0.954853      3.862290
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  H      -5.686549     -5.950074      6.722822
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  H      -9.617321     -4.798562      6.955931
  H      -8.904717     -3.348906      6.247547
  H      -8.468101     -3.829046      7.913754
  H      -7.438078     -6.601035      4.889386
  H      -8.789779     -5.487302      4.667924
  H      -7.622088     -6.075762      2.217503
  H      -7.004540     -4.485086      1.696820
  H      -8.596243     -4.623372      2.493259
  H      -8.050731     -2.930971      3.930714
  H      -6.754556     -2.983679      5.136111
  H      -6.355885     -2.716385      3.403776
  H      -4.376270     -8.022160      9.241568
  H      -2.757113     -7.207177      9.663856
  H      -4.127879     -7.280892      5.744817
  H      -3.577646     -8.927528      6.016442
  H      -5.008914     -8.350403      6.916230
  H      -1.140061     -6.838172      7.952059
  H      -1.356804     -7.603615      6.385206
  H       0.270208     -5.678561      6.010037
  H      -0.113604     -4.833426      7.517087
  H      -0.340785     -4.011224      5.954132
  H      -3.782900     -4.737230      7.211711
  H      -2.467160     -4.786088      8.385979
  H      -2.453361     -3.530810      7.145987
  N      -4.349169     -2.787865      5.485360
  H      -3.577369     -2.321602      5.974285
  H      -4.912623     -3.269625      6.196218
  H      -4.933843     -2.047278      5.091642
  N      -1.929449     -3.177569      4.004892
  N      -1.051584     -2.467960      4.175685
89
Coordinates from ORCA-job orca E -5532.142693736413
  N      -3.815971     -3.077034      2.139010
  C      -3.655471     -3.891728      0.932990
  C      -2.752301     -5.081399      1.189999
  N      -3.242984     -5.803677      2.382558
  C      -4.512115     -6.532485      2.088461
  C      -5.320060     -6.555282      3.370621
  N      -5.484205     -5.183105      3.849581
  Mo     -3.662207     -4.206163      3.889935
  N      -2.457991     -5.543419      5.056388
  C      -1.509146     -6.148273      4.122294
  C      -2.248063     -6.757764      2.949620
  H      -0.927339     -6.963929      4.588807
  H      -0.760572     -5.416450      3.759193
  H      -2.801983     -7.634330      3.310181
  H      -1.559909     -7.093994      2.156123
  H      -6.270656     -7.082343      3.192919
  H      -4.776825     -7.162559      4.113191
  H      -5.068706     -5.988024      1.317210
  H      -4.278427     -7.540778      1.702102
  H      -3.212744     -3.329748      0.095340
  H      -4.638974     -4.244098      0.558066
  H      -1.732500     -4.735480      1.409661
  H      -2.718971     -5.755484      0.310712
  C      -2.523253      0.975345      0.027409
  C      -2.109370      0.258481      1.083758
  C      -1.287699      0.883146      2.177285
  C      -2.391526     -1.219500      1.217532
  C      -3.788637     -1.626257      1.828339
  C      -4.911016     -1.301167      0.820866
  C      -4.064151     -0.781914      3.073595
  C      -6.487657     -5.359531      7.086539
  C      -7.572103     -5.063657      6.352373
  C      -8.693643     -4.232613      6.910218
  C      -7.734219     -5.538309      4.930525
  C      -6.895467     -4.751925      3.856723
  C      -7.552433     -4.993749      2.473161
  C      -7.017693     -3.247167      4.110626
  C      -3.415043     -7.568081      8.898773
  C      -3.106659     -7.522537      7.591839
  C      -4.026261     -8.051727      6.535797
  C      -1.817306     -6.926216      7.099503
  C      -1.886535     -5.493100      6.435066
  C      -0.430385     -4.965819      6.459598
  C      -2.708354     -4.583439      7.344849
  H      -2.313435      2.043287     -0.049631
  H      -3.074679      0.518890     -0.795997
  H      -1.722120      0.696831      3.171228
  H      -1.177556      1.965564      2.037316
  H      -0.284881      0.429184      2.196841
  H      -1.618653     -1.674328      1.849890
  H      -2.306537     -1.676163      0.221082
  H      -4.946376     -0.221812      0.623517
  H      -5.879655     -1.614884      1.236705
  H      -4.765919     -1.810827     -0.141251
  H      -5.072307     -0.994567      3.457585
  H      -3.318978     -0.945089      3.861960
  H      -4.042616      0.282161      2.802857
  H      -5.690175     -5.982045      6.688257
  H      -6.378329     -4.999895      8.111113
  H      -9.624944     -4.822191      6.950184
  H      -8.905641     -3.364013      6.266238
  H      -8.471769     -3.873285      7.922893
  H      -7.455432     -6.599385      4.854049
  H      -8.797669     -5.471905      4.651517
  H      -7.604479     -6.057050      2.200591
  H      -6.983569     -4.463481      1.694736
  H      -8.582219     -4.606043      2.473649
  H      -8.046034     -2.918537      3.917426
  H      -6.785730     -2.982682      5.145535
  H      -6.348433     -2.705842      3.433638
  H      -4.360772     -7.990292      9.246668
  H      -2.735874     -7.177968      9.654001
  H      -4.133581     -7.279078      5.756628
  H      -3.580499     -8.926828      6.030939
  H      -5.007654     -8.338100      6.934116
  H      -1.116751     -6.844611      7.944935
  H      -1.353355     -7.609978      6.369125
  H       0.272459     -5.669032      5.993215
  H      -0.109734     -4.823547      7.502652
  H      -0.348763     -4.003279      5.943394
  H      -3.784697     -4.753012      7.223977
  H      -2.463957     -4.788642      8.396180
  H      -2.466396     -3.528381      7.152135
  N      -4.344692     -2.783030      5.491765
  H      -3.571472     -2.322192      5.986473
  H      -4.915318     -3.266561      6.196781
  H      -4.924190     -2.037103      5.097588
  N      -1.924292     -3.175459      3.997378
  N      -1.039573     -2.476502      4.179100
89
Coordinates from ORCA-job orca E -5532.142798634984
  N      -3.817268     -3.081593      2.135916
  C      -3.660099     -3.896764      0.928455
  C      -2.751966     -5.086276      1.185990
  N      -3.238215     -5.808140      2.380622
  C      -4.507470     -6.538306      2.087389
  C      -5.316441     -6.557093      3.368874
  N      -5.482723     -5.182208      3.845756
  Mo     -3.660343     -4.203443      3.882759
  N      -2.460387     -5.540317      5.052262
  C      -1.506013     -6.141890      4.118190
  C      -2.240358     -6.757771      2.947870
  H      -0.921099     -6.957203      4.587714
  H      -0.758985     -5.405236      3.755640
  H      -2.789298     -7.635260      3.311489
  H      -1.551089     -7.092870      2.154195
  H      -6.265660     -7.088023      3.197646
  H      -4.768960     -7.159458      4.112054
  H      -5.063396     -5.996218      1.314384
  H      -4.271846     -7.547471      1.704077
  H      -3.218362     -3.334986      0.090361
  H      -4.644239     -4.248968      0.555571
  H      -1.732830     -4.737392      1.403007
  H      -2.718613     -5.761297      0.307656
  C      -2.518959      0.972267      0.038985
  C      -2.110936      0.252046      1.093431
  C      -1.301256      0.877878      2.196828
  C      -2.394699     -1.225185      1.216532
  C      -3.790266     -1.631585      1.828310
  C      -4.913969     -1.305597      0.822618
  C      -4.059172     -0.790573      3.077723
  C      -6.490285     -5.356481      7.091133
  C      -7.571632     -5.056673      6.351693
  C      -8.691851     -4.219687      6.906597
  C      -7.736016     -5.531027      4.928440
  C      -6.894046     -4.748625      3.854092
  C      -7.554149     -4.985843      2.471385
  C      -7.013802     -3.244754      4.109770
  C      -3.415683     -7.554384      8.892868
  C      -3.106007     -7.518603      7.589986
  C      -4.021677     -8.057834      6.538238
  C      -1.816386     -6.923697      7.100599
  C      -1.889270     -5.492628      6.432529
  C      -0.432285     -4.965949      6.454687
  C      -2.717104     -4.586608      7.343157
  H      -2.311758      2.041102     -0.031202
  H      -3.063120      0.517415     -0.789903
  H      -1.743232      0.685956      3.184161
  H      -1.199093      1.963979      2.062849
  H      -0.290508      0.429760      2.224937
  H      -1.623157     -1.686602      1.842789
  H      -2.313254     -1.675034      0.218071
  H      -4.946421     -0.225217      0.620199
  H      -5.882128     -1.613314      1.241186
  H      -4.773968     -1.822173     -0.138248
  H      -5.063568     -1.006158      3.468225
  H      -3.308799     -0.953810      3.861802
  H      -4.042319      0.274687      2.807346
  H      -5.693029     -5.987231      6.698589
  H      -6.385088     -4.992030      8.117871
  H      -9.626903     -4.802274      6.938675
  H      -8.894839     -3.349296      6.263490
  H      -8.473656     -3.862384      7.923329
  H      -7.465453     -6.594407      4.850028
  H      -8.798609     -5.455681      4.649753
  H      -7.608253     -6.047707      2.196596
  H      -6.986433     -4.455506      1.692878
  H      -8.582357     -4.596100      2.475031
  H      -8.049470     -2.915784      3.930755
  H      -6.766195     -2.981233      5.145816
  H      -6.351733     -2.700815      3.418986
  H      -4.361002     -7.975620      9.242437
  H      -2.723202     -7.171010      9.654805
  H      -4.133066     -7.296650      5.757561
  H      -3.568318     -8.932986      6.042732
  H      -5.003895     -8.344568      6.935725
  H      -1.120212     -6.833865      7.948469
  H      -1.345859     -7.610812      6.376693
  H       0.270313     -5.670708      5.980691
  H      -0.106895     -4.826496      7.496694
  H      -0.353516     -3.999625      5.942157
  H      -3.791769     -4.771763      7.233010
  H      -2.463804     -4.784097      8.392992
  H      -2.492762     -3.528591      7.146633
  N      -4.340084     -2.785479      5.488645
  H      -3.571156     -2.322671      5.979665
  H      -4.905821     -3.274869      6.190568
  H      -4.926105     -2.044746      5.102515
  N      -1.923387     -3.178394      3.983510
  N      -1.045786     -2.464452      4.141321
89
Coordinates from ORCA-job orca E -5532.143047183527
  N      -3.815108     -3.082836      2.136041
  C      -3.656650     -3.899556      0.929580
  C      -2.750474     -5.089278      1.189158
  N      -3.237711     -5.809353      2.384845
  C      -4.508184     -6.538692      2.092348
  C      -5.318706     -6.553020      3.373356
  N      -5.484118     -5.177332      3.847165
  Mo     -3.661802     -4.199408      3.884628
  N      -2.459017     -5.539264      5.058611
  C      -1.506218     -6.142217      4.125766
  C      -2.240879     -6.758545      2.955070
  H      -0.922392     -6.955852      4.597302
  H      -0.759736     -5.407050      3.762479
  H      -2.791267     -7.635716      3.318872
  H      -1.550804     -7.094548      2.162869
  H      -6.268324     -7.084118      3.203788
  H      -4.771359     -7.153189      4.118553
  H      -5.061679     -5.997484      1.316759
  H      -4.273687     -7.549233      1.712268
  H      -3.213625     -3.338977      0.091304
  H      -4.640919     -4.251378      0.556579
  H      -1.730833     -4.741498      1.406107
  H      -2.717646     -5.764889      0.311124
  C      -2.533685      0.979648      0.034345
  C      -2.117596      0.256254      1.084787
  C      -1.293845      0.874946      2.178532
  C      -2.400158     -1.221358      1.207714
  C      -3.792169     -1.631662      1.828524
  C      -4.922918     -1.307644      0.829042
  C      -4.058173     -0.792739      3.079601
  C      -6.493399     -5.363021      7.077823
  C      -7.575445     -5.054747      6.344341
  C      -8.694381     -4.219698      6.907478
  C      -7.742307     -5.520554      4.919356
  C      -6.893448     -4.740274      3.849485
  C      -7.547789     -4.977380      2.464341
  C      -7.009541     -3.236154      4.104691
  C      -3.411867     -7.566031      8.894389
  C      -3.099424     -7.523956      7.591330
  C      -4.013915     -8.060735      6.535422
  C      -1.811093     -6.925397      7.103200
  C      -1.886928     -5.492966      6.437537
  C      -0.432730     -4.959486      6.460649
  C      -2.716154     -4.592916      7.351346
  H      -2.324635      2.048214     -0.037925
  H      -3.086878      0.527409     -0.789097
  H      -1.726515      0.682223      3.171626
  H      -1.184663      1.958490      2.043397
  H      -0.288688      0.423354      2.194447
  H      -1.621420     -1.684425      1.825940
  H      -2.327450     -1.667472      0.207333
  H      -4.954791     -0.227958      0.623013
  H      -5.890229     -1.612923      1.254970
  H      -4.790044     -1.827003     -0.130393
  H      -5.059801     -1.013507      3.475036
  H      -3.304229     -0.951521      3.860376
  H      -4.047922      0.272424      2.809053
  H      -5.698047     -5.992092      6.677628
  H      -6.385030     -5.008982      8.106282
  H      -9.631743     -4.801014      6.934919
  H      -8.895603     -3.342476      6.272577
  H      -8.474750     -3.871897      7.926497
  H      -7.479560     -6.585478      4.835864
  H      -8.804081     -5.436019      4.640226
  H      -7.601466     -6.039744      2.191166
  H      -6.976078     -4.448823      1.687565
  H      -8.575528     -4.586274      2.462583
  H      -8.039872     -2.902654      3.915871
  H      -6.771430     -2.973343      5.141868
  H      -6.339535     -2.695890      3.422468
  H      -4.357201     -7.990951      9.239087
  H      -2.727523     -7.178568      9.656220
  H      -4.127419     -7.294409      5.755816
  H      -3.559167     -8.934626      6.036717
  H      -4.995501     -8.351594      6.931387
  H      -1.116411     -6.834109      7.951912
  H      -1.338023     -7.611127      6.380090
  H       0.271636     -5.660102      5.987312
  H      -0.109327     -4.819865      7.502550
  H      -0.355850     -3.993232      5.949016
  H      -3.790419     -4.786240      7.241050
  H      -2.459993     -4.788045      8.403170
  H      -2.496682     -3.534600      7.152589
  N      -4.341910     -2.790923      5.500555
  H      -3.574655     -2.338353      6.005382
  H      -4.919054     -3.285494      6.190157
  H      -4.919255     -2.041348      5.114806
  N      -1.919374     -3.172852      3.985314
  N      -1.030561     -2.475858      4.153386
89
Coordinates from ORCA-job orca E -5532.143101490196
  N      -3.821574     -3.084481      2.136383
  C      -3.660069     -3.899294      0.929135
  C      -2.753827     -5.086997      1.190020
  N      -3.241971     -5.805322      2.385514
  C      -4.512750     -6.534675      2.094006
  C      -5.323540     -6.547601      3.374719
  N      -5.487841     -5.171843      3.847351
  Mo     -3.667882     -4.189993      3.885329
  N      -2.464818     -5.532116      5.063964
  C      -1.511786     -6.134379      4.131338
  C      -2.245325     -6.753147      2.958898
  H      -0.927123     -6.945353      4.604779
  H      -0.767030     -5.398948      3.766510
  H      -2.796255     -7.631649      3.322201
  H      -1.552625     -7.089378      2.168737
  H      -6.273569     -7.078921      3.207079
  H      -4.775006     -7.146772      4.119932
  H      -5.064579     -5.994039      1.316454
  H      -4.278173     -7.546143      1.716156
  H      -3.216488     -3.337079      0.092599
  H      -4.644120     -4.251293      0.555136
  H      -1.734657     -4.737793      1.408542
  H      -2.718908     -5.763379      0.312486
  C      -2.518816      0.964138      0.012699
  C      -2.119025      0.251075      1.077843
  C      -1.310435      0.882940      2.181586
  C      -2.404951     -1.227654      1.208654
  C      -3.795546     -1.633252      1.831318
  C      -4.924255     -1.301995      0.837374
  C      -4.057836     -0.796069      3.083848
  C      -6.477602     -5.375396      7.062478
  C      -7.561093     -5.048595      6.340846
  C      -8.655111     -4.196004      6.916901
  C      -7.749946     -5.506718      4.916164
  C      -6.897184     -4.734986      3.840917
  C      -7.546385     -4.988972      2.455316
  C      -7.016203     -3.227267      4.080459
  C      -3.412882     -7.596322      8.898110
  C      -3.094787     -7.540204      7.591915
  C      -3.996273     -8.084192      6.528634
  C      -1.811737     -6.921393      7.108239
  C      -1.895097     -5.488887      6.442004
  C      -0.443150     -4.949298      6.467261
  C      -2.723763     -4.594005      7.357513
  H      -2.307024      2.031857     -0.065596
  H      -3.059964      0.502216     -0.818052
  H      -1.757587      0.709295      3.171521
  H      -1.194463      1.964562      2.034899
  H      -0.309309      0.422986      2.220951
  H      -1.626650     -1.688259      1.831261
  H      -2.335460     -1.683445      0.208785
  H      -4.945178     -0.225744      0.629365
  H      -5.892893     -1.592700      1.266742
  H      -4.798760     -1.826215     -0.119047
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  H      -3.299039     -0.949406      3.861017
  H      -4.053681      0.267388      2.812945
  H      -5.701864     -6.017218      6.655728
  H      -6.352106     -5.026988      8.089552
  H      -9.602840     -4.757972      6.951519
  H      -8.843805     -3.311813      6.286203
  H      -8.418419     -3.859614      7.934052
  H      -7.506544     -6.575551      4.828117
  H      -8.813049     -5.403691      4.645576
  H      -7.590988     -6.055388      2.193366
  H      -6.974706     -4.463179      1.675423
  H      -8.577927     -4.605240      2.444797
  H      -8.041254     -2.896420      3.870937
  H      -6.795684     -2.953233      5.116315
  H      -6.335958     -2.693442      3.407756
  H      -4.353002     -8.037203      9.238078
  H      -2.748282     -7.193591      9.657458
  H      -4.118516     -7.314517      5.750262
  H      -3.528081     -8.949740      6.026628
  H      -4.973873     -8.391206      6.920177
  H      -1.125742     -6.820709      7.962276
  H      -1.323120     -7.601873      6.390404
  H       0.261667     -5.645650      5.994686
  H      -0.119725     -4.810346      7.509526
  H      -0.368719     -3.983803      5.957062
  H      -3.796832     -4.798783      7.262051
  H      -2.450642     -4.775932      8.404143
  H      -2.518156     -3.536454      7.150283
  N      -4.346487     -2.798797      5.519223
  H      -3.580923     -2.362229      6.042625
  H      -4.934394     -3.306524      6.189968
  H      -4.915853     -2.036995      5.142504
  N      -1.921822     -3.165298      3.982235
  N      -1.029039     -2.469887      4.132061
89
Coordinates from ORCA-job orca E -5532.143294001452
  N      -3.817439     -3.089542      2.133198
  C      -3.653434     -3.906761      0.927212
  C      -2.748533     -5.096021      1.191798
  N      -3.238743     -5.811197      2.388802
  C      -4.509909     -6.540816      2.098777
  C      -5.323646     -6.547571      3.378437
  N      -5.486260     -5.170376      3.846790
  Mo     -3.666087     -4.190596      3.883853
  N      -2.458532     -5.532454      5.068970
  C      -1.508149     -6.137146      4.136829
  C      -2.243849     -6.757841      2.967435
  H      -0.923608     -6.947147      4.611393
  H      -0.763700     -5.403705      3.768687
  H      -2.796843     -7.632953      3.334337
  H      -1.551691     -7.099326      2.179420
  H      -6.274052     -7.078237      3.211082
  H      -4.777702     -7.145291      4.126707
  H      -5.059215     -6.003074      1.317525
  H      -4.275942     -7.554192      1.726079
  H      -3.208838     -3.345694      0.090496
  H      -4.637033     -4.259110      0.552735
  H      -1.729074     -4.748055      1.410122
  H      -2.714167     -5.774122      0.315625
  C      -2.548883      0.983156      0.029466
  C      -2.131653      0.257423      1.078868
  C      -1.308430      0.876499      2.174416
  C      -2.412056     -1.222225      1.195874
  C      -3.797442     -1.636991      1.828371
  C      -4.935471     -1.310794      0.839155
  C      -4.055206     -0.802416      3.083834
  C      -6.487907     -5.373398      7.056861
  C      -7.569404     -5.042463      6.332469
  C      -8.664401     -4.187074      6.906642
  C      -7.754449     -5.498536      4.906072
  C      -6.893971     -4.727938      3.837540
  C      -7.540786     -4.971582      2.449457
  C      -7.006614     -3.221600      4.084565
  C      -3.410358     -7.592953      8.895161
  C      -3.089267     -7.540550      7.591825
  C      -3.990280     -8.085317      6.528705
  C      -1.805078     -6.926088      7.110918
  C      -1.888863     -5.492967      6.446576
  C      -0.438727     -4.948844      6.473940
  C      -2.721082     -4.603288      7.364425
  H      -2.341417      2.052828     -0.041037
  H      -3.102684      0.530785     -0.794613
  H      -1.741975      0.685851      3.167275
  H      -1.197846      1.960070      2.038013
  H      -0.303386      0.423985      2.193210
  H      -1.624691     -1.689856      1.801455
  H      -2.352626     -1.662282      0.191042
  H      -4.958790     -0.233384      0.625056
  H      -5.902208     -1.601632      1.276146
  H      -4.816917     -1.840234     -0.116025
  H      -5.050480     -1.030839      3.489984
  H      -3.292081     -0.954586      3.856798
  H      -4.058269      0.262315      2.814551
  H      -5.710282     -6.016640      6.650289
  H      -6.363805     -5.027129      8.085705
  H      -9.614275     -4.746289      6.934220
  H      -8.848074     -3.299912      6.278960
  H      -8.430907     -3.853692      7.926670
  H      -7.515810     -6.569313      4.815453
  H      -8.816111     -5.388881      4.630554
  H      -7.587335     -6.035852      2.181209
  H      -6.966625     -4.443277      1.673400
  H      -8.570818     -4.584745      2.439548
  H      -8.032137     -2.884228      3.879481
  H      -6.781347     -2.953432      5.122306
  H      -6.324682     -2.688496      3.410139
  H      -4.352353     -8.031821      9.231117
  H      -2.742433     -7.195286      9.660250
  H      -4.113691     -7.315532      5.750775
  H      -3.521807     -8.951623      6.029331
  H      -4.968945     -8.390874      6.919894
  H      -1.120195     -6.824733      7.967409
  H      -1.315913     -7.608503      6.395263
  H       0.268307     -5.641842      5.997990
  H      -0.115634     -4.812258      7.517072
  H      -0.367721     -3.980576      5.965887
  H      -3.793410     -4.816541      7.266688
  H      -2.446986     -4.781846      8.413974
  H      -2.521884     -3.545852      7.152881
  N      -4.344017     -2.797287      5.517356
  H      -3.581586     -2.366436      6.046789
  H      -4.938343     -3.305514      6.181362
  H      -4.908242     -2.033135      5.139575
  N      -1.914800     -3.166468      3.978166
  N      -1.012773     -2.484816      4.135295
89
Coordinates from ORCA-job orca E -5532.143338344047
  N      -3.818276     -3.089564      2.131967
  C      -3.654053     -3.906075      0.925119
  C      -2.748034     -5.096296      1.191522
  N      -3.239047     -5.809909      2.388304
  C      -4.509304     -6.540285      2.097424
  C      -5.325111     -6.545873      3.375778
  N      -5.486681     -5.167889      3.846677
  Mo     -3.666904     -4.186675      3.881392
  N      -2.462623     -5.525704      5.068981
  C      -1.508558     -6.127934      4.135899
  C      -2.242749     -6.754318      2.968500
  H      -0.918256     -6.935367      4.609856
  H      -0.767222     -5.390701      3.764213
  H      -2.794173     -7.628812      3.338176
  H      -1.550025     -7.097827      2.181027
  H      -6.276144     -7.074070      3.205899
  H      -4.781907     -7.146674      4.123505
  H      -5.057773     -6.003551      1.314867
  H      -4.275071     -7.554258      1.726025
  H      -3.208843     -3.343749      0.089784
  H      -4.637341     -4.258463      0.549620
  H      -1.729374     -4.746811      1.410695
  H      -2.711795     -5.776193      0.317192
  C      -2.544639      0.980723      0.028130
  C      -2.124750      0.250645      1.074329
  C      -1.287254      0.858883      2.162433
  C      -2.412217     -1.226629      1.189346
  C      -3.795175     -1.637878      1.828491
  C      -4.935507     -1.308712      0.842424
  C      -4.046061     -0.805135      3.085448
  C      -6.493291     -5.390741      7.054841
  C      -7.574338     -5.056113      6.332697
  C      -8.676462     -4.210530      6.915163
  C      -7.756727     -5.499555      4.902917
  C      -6.894609     -4.722919      3.840763
  C      -7.541656     -4.952345      2.451127
  C      -7.004849     -3.218854      4.099262
  C      -3.407096     -7.589530      8.894495
  C      -3.085349     -7.540130      7.592119
  C      -3.980682     -8.093141      6.530070
  C      -1.805074     -6.917186      7.113037
  C      -1.895693     -5.486059      6.447407
  C      -0.448293     -4.934163      6.476444
  C      -2.735915     -4.601318      7.364072
  H      -2.330614      2.048448     -0.044602
  H      -3.107515      0.533140     -0.791579
  H      -1.714493      0.671804      3.160746
  H      -1.165273      1.939858      2.023371
  H      -0.289727      0.398183      2.171812
  H      -1.623675     -1.700961      1.787903
  H      -2.361884     -1.661445      0.181892
  H      -4.954251     -0.231568      0.625101
  H      -5.902287     -1.594408      1.283788
  H      -4.823079     -1.841447     -0.112070
  H      -5.040843     -1.031552      3.492910
  H      -3.283032     -0.962056      3.855346
  H      -4.048013      0.260048      2.818724
  H      -5.708949     -6.027945      6.643909
  H      -6.375946     -5.052665      8.086791
  H      -9.625447     -4.773792      6.934298
  H      -8.861867     -3.317253      6.297933
  H      -8.447200     -3.886484      7.939483
  H      -7.520502     -6.569186      4.802530
  H      -8.817235     -5.384541      4.629257
  H      -7.589198     -6.012929      2.170718
  H      -6.968267     -4.416857      1.680288
  H      -8.570568     -4.564507      2.447562
  H      -8.030574     -2.877479      3.900202
  H      -6.775866     -2.956794      5.138229
  H      -6.323412     -2.684174      3.424543
  H      -4.346473     -8.032505      9.232779
  H      -2.737952     -7.190014      9.660357
  H      -4.108460     -7.328305      5.751248
  H      -3.505624     -8.956645      6.033345
  H      -4.958273     -8.402997      6.921231
  H      -1.126238     -6.808552      7.971323
  H      -1.307006     -7.596341      6.401715
  H       0.264583     -5.621569      5.998891
  H      -0.126145     -4.796281      7.518471
  H      -0.384553     -3.965251      5.969193
  H      -3.807097     -4.820912      7.264307
  H      -2.461980     -4.778627      8.414682
  H      -2.543611     -3.541324      7.152577
  N      -4.345316     -2.793563      5.515696
  H      -3.583243     -2.366199      6.047002
  H      -4.937239     -3.307387      6.177523
  H      -4.911251     -2.028354      5.144962
  N      -1.916115     -3.164914      3.971607
  N      -1.018167     -2.474992      4.114878
89
Coordinates from ORCA-job orca E -5532.143431793018
  N      -3.817652     -3.093896      2.129164
  C      -3.650666     -3.911235      0.923263
  C      -2.747221     -5.102488      1.193219
  N      -3.241974     -5.812817      2.390485
  C      -4.512015     -6.542800      2.100312
  C      -5.329633     -6.545784      3.377791
  N      -5.487831     -5.167644      3.846589
  Mo     -3.668875     -4.186958      3.880989
  N      -2.460866     -5.524102      5.072119
  C      -1.510598     -6.130076      4.139165
  C      -2.248369     -6.757795      2.974771
  H      -0.920045     -6.936990      4.612739
  H      -0.768606     -5.395909      3.762994
  H      -2.803071     -7.628581      3.347944
  H      -1.557064     -7.107529      2.188935
  H      -6.282236     -7.070257      3.204126
  H      -4.791672     -7.148909      4.127500
  H      -5.059365     -6.007445      1.315944
  H      -4.278995     -7.557936      1.731340
  H      -3.204202     -3.349148      0.088550
  H      -4.633160     -4.263823      0.546236
  H      -1.728513     -4.754238      1.413600
  H      -2.710444     -5.784239      0.320462
  C      -2.545753      0.984341      0.034033
  C      -2.128998      0.252446      1.079081
  C      -1.302242      0.863133      2.176538
  C      -2.413115     -1.226604      1.186346
  C      -3.795235     -1.641374      1.825112
  C      -4.936768     -1.312387      0.839557
  C      -4.046185     -0.808507      3.082375
  C      -6.491632     -5.386187      7.053012
  C      -7.571908     -5.047096      6.330644
  C      -8.667211     -4.193232      6.912457
  C      -7.759258     -5.492838      4.901513
  C      -6.895196     -4.720758      3.837760
  C      -7.540772     -4.953413      2.447726
  C      -7.002737     -3.215722      4.091201
  C      -3.400983     -7.594460      8.890853
  C      -3.077883     -7.546186      7.589451
  C      -3.971941     -8.102265      6.526907
  C      -1.798887     -6.919018      7.111913
  C      -1.894140     -5.486451      6.448845
  C      -0.448654     -4.930424      6.477516
  C      -2.735878     -4.604896      7.367742
  H      -2.335986      2.053432     -0.032161
  H      -3.101685      0.536631     -0.791452
  H      -1.736799      0.674205      3.169464
  H      -1.186023      1.946247      2.041727
  H      -0.299804      0.405520      2.194048
  H      -1.623203     -1.702534      1.781702
  H      -2.362619     -1.656787      0.176806
  H      -4.954411     -0.235377      0.620350
  H      -5.903810     -1.595651      1.281701
  H      -4.825593     -1.847410     -0.113369
  H      -5.040905     -1.035694      3.489693
  H      -3.281762     -0.965926      3.852291
  H      -4.050488      0.257281      2.816450
  H      -5.712054     -6.028263      6.643188
  H      -6.369713     -5.046243      8.084454
  H      -9.619426     -4.750320      6.933919
  H      -8.848071     -3.299583      6.293896
  H      -8.433700     -3.869119      7.936077
  H      -7.528767     -6.564113      4.802747
  H      -8.819621     -5.372814      4.627852
  H      -7.586900     -6.014366      2.168691
  H      -6.967123     -4.418371      1.676951
  H      -8.570030     -4.567064      2.442383
  H      -8.029068     -2.873955      3.891175
  H      -6.771060     -2.949776      5.129326
  H      -6.320386     -2.684762      3.412857
  H      -4.340289     -8.038875      9.227649
  H      -2.732841     -7.194656      9.658706
  H      -4.103876     -7.336433      5.749521
  H      -3.494728     -8.963994      6.028650
  H      -4.948489     -8.415422      6.918496
  H      -1.121129     -6.809282      7.971902
  H      -1.297476     -7.596246      6.400050
  H       0.266327     -5.613242      5.994219
  H      -0.123813     -4.795663      7.519939
  H      -0.391826     -3.958800      5.972688
  H      -3.806217     -4.826480      7.270558
  H      -2.457311     -4.778058      8.416845
  H      -2.547793     -3.545254      7.152324
  N      -4.348459     -2.791823      5.514771
  H      -3.587337     -2.369491      6.050516
  H      -4.941714     -3.308427      6.173138
  H      -4.912009     -2.024062      5.146731
  N      -1.915338     -3.164436      3.970386
  N      -1.013004     -2.481026      4.111639
89
Coordinates from ORCA-job orca E -5532.143492528459
  N      -3.819524     -3.093922      2.127100
  C      -3.652000     -3.913054      0.922319
  C      -2.749970     -5.105998      1.194600
  N      -3.246014     -5.813394      2.393368
  C      -4.515152     -6.544163      2.105117
  C      -5.334169     -6.543556      3.381696
  N      -5.489056     -5.164749      3.846890
  Mo     -3.669721     -4.184513      3.879495
  N      -2.460370     -5.518707      5.076472
  C      -1.513244     -6.128029      4.142375
  C      -2.254321     -6.758123      2.981478
  H      -0.921810     -6.934151      4.615184
  H      -0.771315     -5.396598      3.761170
  H      -2.811807     -7.625014      3.359047
  H      -1.565157     -7.114523      2.196682
  H      -6.288273     -7.064161      3.203976
  H      -4.802198     -7.148397      4.134352
  H      -5.062575     -6.011559      1.318935
  H      -4.282666     -7.560569      1.739271
  H      -3.205157     -3.351327      0.087702
  H      -4.634100     -4.265983      0.545348
  H      -1.731092     -4.758319      1.414097
  H      -2.714048     -5.789827      0.323745
  C      -2.552015      0.990895      0.039959
  C      -2.130195      0.252019      1.078131
  C      -1.298581      0.856440      2.175998
  C      -2.416136     -1.227642      1.177600
  C      -3.795428     -1.641418      1.822662
  C      -4.939280     -1.310170      0.840919
  C      -4.040095     -0.808490      3.081337
  C      -6.495241     -5.401036      7.047611
  C      -7.572142     -5.050574      6.325368
  C      -8.655292     -4.185209      6.908517
  C      -7.763846     -5.491456      4.894899
  C      -6.897003     -4.717552      3.834567
  C      -7.537705     -4.948498      2.441886
  C      -7.007571     -3.212407      4.089895
  C      -3.396256     -7.601263      8.891785
  C      -3.070331     -7.552442      7.590281
  C      -3.956533     -8.118073      6.526469
  C      -1.794808     -6.915824      7.116523
  C      -1.895814     -5.483285      6.454036
  C      -0.452404     -4.921014      6.487740
  C      -2.741841     -4.605250      7.371391
  H      -2.342861      2.060889     -0.020293
  H      -3.112738      0.548767     -0.784904
  H      -1.730085      0.662501      3.168599
  H      -1.183422      1.941109      2.046438
  H      -0.294726      0.398845      2.187826
  H      -1.623342     -1.709138      1.764614
  H      -2.373262     -1.650628      0.164489
  H      -4.951518     -0.234138      0.617740
  H      -5.905708     -1.586016      1.287898
  H      -4.834656     -1.850046     -0.110359
  H      -5.034210     -1.033793      3.491486
  H      -3.273174     -0.970520      3.847743
  H      -4.043602      0.257544      2.817466
  H      -5.724143     -6.050243      6.637693
  H      -6.368169     -5.062701      8.079611
  H      -9.612912     -4.730310      6.929781
  H      -8.825865     -3.288614      6.291595
  H      -8.416888     -3.866299      7.932691
  H      -7.538282     -6.564248      4.792685
  H      -8.824450     -5.365238      4.621270
  H      -7.577944     -6.008859      2.158407
  H      -6.963973     -4.407236      1.674924
  H      -8.569383     -4.567272      2.435200
  H      -8.032629     -2.871261      3.884133
  H      -6.782552     -2.947634      5.128568
  H      -6.321490     -2.680064      3.417101
  H      -4.332414     -8.052999      9.227325
  H      -2.735044     -7.194445      9.660152
  H      -4.095395     -7.352592      5.749263
  H      -3.470923     -8.974160      6.027965
  H      -4.930464     -8.440780      6.917151
  H      -1.119680     -6.802510      7.979599
  H      -1.287044     -7.589857      6.406029
  H       0.265613     -5.597783      6.004115
  H      -0.128268     -4.787659      7.531384
  H      -0.400215     -3.948520      5.984437
  H      -3.811134     -4.831522      7.274428
  H      -2.460115     -4.771278      8.420512
  H      -2.560127     -3.546534      7.148916
  N      -4.349191     -2.786298      5.512323
  H      -3.588387     -2.365465      6.047965
  H      -4.937613     -3.306989      6.170799
  H      -4.915193     -2.018390      5.149893
  N      -1.911398     -3.167317      3.961897
  N      -1.003545     -2.488395      4.093760
89
Coordinates from ORCA-job orca E -5532.143541977160
  N      -3.820567     -3.094476      2.123434
  C      -3.651220     -3.915264      0.919757
  C      -2.750494     -5.108430      1.196045
  N      -3.249768     -5.813042      2.395568
  C      -4.518234     -6.543633      2.105743
  C      -5.340530     -6.541661      3.380335
  N      -5.492585     -5.162680      3.845583
  Mo     -3.673948     -4.181763      3.877315
  N      -2.464399     -5.511738      5.080008
  C      -1.518176     -6.123220      4.146876
  C      -2.260096     -6.757386      2.988016
  H      -0.925290     -6.927131      4.620722
  H      -0.776451     -5.393083      3.762082
  H      -2.820333     -7.621151      3.369637
  H      -1.572046     -7.119324      2.204614
  H      -6.295963     -7.057541      3.196609
  H      -4.815360     -7.149830      4.135171
  H      -5.064692     -6.011662      1.318273
  H      -4.286056     -7.560569      1.740971
  H      -3.202008     -3.354340      0.085896
  H      -4.632619     -4.268556      0.540702
  H      -1.731735     -4.760572      1.417034
  H      -2.712935     -5.794443      0.326742
  C      -2.540096      0.988423      0.038670
  C      -2.123362      0.246796      1.076845
  C      -1.292239      0.846693      2.178889
  C      -2.414938     -1.232301      1.172117
  C      -3.794424     -1.642098      1.818117
  C      -4.937541     -1.309041      0.836675
  C      -4.037813     -0.808829      3.077076
  C      -6.492228     -5.410548      7.043976
  C      -7.570275     -5.053951      6.326401
  C      -8.649899     -4.188907      6.916525
  C      -7.766955     -5.488360      4.894982
  C      -6.900577     -4.713518      3.835178
  C      -7.542145     -4.939913      2.441831
  C      -7.009246     -3.208822      4.093721
  C      -3.388135     -7.609510      8.887584
  C      -3.059650     -7.558369      7.586464
  C      -3.938364     -8.133238      6.521651
  C      -1.788872     -6.908799      7.116047
  C      -1.901363     -5.475459      6.456769
  C      -0.462761     -4.901742      6.490974
  C      -2.754796     -4.605140      7.375761
  H      -2.327415      2.057528     -0.018571
  H      -3.099481      0.549249     -0.789649
  H      -1.727663      0.656451      3.170431
  H      -1.171391      1.930816      2.050132
  H      -0.291362      0.382642      2.193663
  H      -1.623409     -1.718132      1.756884
  H      -2.375501     -1.652740      0.157076
  H      -4.945166     -0.233755      0.610158
  H      -5.904694     -1.578712      1.284998
  H      -4.835609     -1.852833     -0.112514
  H      -5.032999     -1.031618      3.486077
  H      -3.271399     -0.975487      3.843358
  H      -4.038487      0.257536      2.815111
  H      -5.722661     -6.058076      6.628989
  H      -6.361683     -5.077480      8.076721
  H      -9.608955     -4.732202      6.938373
  H      -8.820346     -3.288519      6.304471
  H      -8.407304     -3.875709      7.941118
  H      -7.545421     -6.561108      4.789148
  H      -8.827583     -5.357689      4.624216
  H      -7.582399     -5.998994      2.153751
  H      -6.969006     -4.395348      1.676665
  H      -8.574230     -4.559376      2.437435
  H      -8.035039     -2.866460      3.890535
  H      -6.781398     -2.946334      5.132780
  H      -6.323663     -2.675924      3.419957
  H      -4.320472     -8.070099      9.222228
  H      -2.733723     -7.195689      9.656463
  H      -4.084908     -7.368525      5.745075
  H      -3.444083     -8.983027      6.021525
  H      -4.908373     -8.466955      6.912199
  H      -1.115872     -6.791534      7.980033
  H      -1.273973     -7.576505      6.404432
  H       0.260537     -5.569196      6.001392
  H      -0.136938     -4.770489      7.534128
  H      -0.421685     -3.926923      5.991444
  H      -3.821895     -4.837038      7.278438
  H      -2.471948     -4.768751      8.424400
  H      -2.580312     -3.545300      7.152932
  N      -4.356833     -2.783636      5.511195
  H      -3.594161     -2.371217      6.055371
  H      -4.949376     -3.310313      6.164080
  H      -4.918360     -2.008190      5.153873
  N      -1.913511     -3.164960      3.957547
  N      -1.003442     -2.490236      4.086860
89
Coordinates from ORCA-job orca E -5532.143580852722
  N      -3.821745     -3.092934      2.120639
  C      -3.653535     -3.917440      0.919455
  C      -2.754739     -5.110625      1.200687
  N      -3.255864     -5.811126      2.402469
  C      -4.524131     -6.541441      2.112311
  C      -5.350264     -6.535954      3.384683
  N      -5.497878     -5.155865      3.848409
  Mo     -3.678494     -4.176720      3.877286
  N      -2.467649     -5.502250      5.086306
  C      -1.523533     -6.117201      4.152913
  C      -2.268032     -6.755418      2.998240
  H      -0.929670     -6.920493      4.627456
  H      -0.781026     -5.389710      3.763850
  H      -2.830970     -7.614862      3.385936
  H      -1.583277     -7.124478      2.215058
  H      -6.307878     -7.045471      3.194029
  H      -4.834117     -7.147302      4.143384
  H      -5.070308     -6.010706      1.323680
  H      -4.292417     -7.559144      1.749209
  H      -3.202379     -3.359804      0.084414
  H      -4.634842     -4.270672      0.540272
  H      -1.735849     -4.763107      1.421566
  H      -2.717040     -5.799648      0.333849
  C      -2.525712      0.986951      0.031617
  C      -2.112741      0.240672      1.068144
  C      -1.275396      0.832275      2.171099
  C      -2.414068     -1.237456      1.160145
  C      -3.793072     -1.641182      1.811751
  C      -4.937800     -1.306797      0.833465
  C      -4.030528     -0.804978      3.069834
  C      -6.503245     -5.439399      7.037126
  C      -7.579447     -5.068485      6.324355
  C      -8.659834     -4.210096      6.926175
  C      -7.775778     -5.483956      4.888233
  C      -6.904845     -4.703664      3.837276
  C      -7.539313     -4.919329      2.439280
  C      -7.010851     -3.200920      4.105390
  C      -3.375655     -7.619534      8.884925
  C      -3.042998     -7.566284      7.584237
  C      -3.912088     -8.153508      6.517340
  C      -1.778833     -6.899358      7.118296
  C      -1.905460     -5.465888      6.462115
  C      -0.472288     -4.879018      6.496081
  C      -2.767234     -4.604366      7.381874
  H      -2.305943      2.054388     -0.022831
  H      -3.087796      0.553235     -0.798884
  H      -1.711285      0.646393      3.163624
  H      -1.144719      1.915025      2.043146
  H      -0.280248      0.357756      2.184246
  H      -1.622742     -1.729267      1.740887
  H      -2.382265     -1.655227      0.143081
  H      -4.941217     -0.232705      0.603405
  H      -5.904910     -1.570505      1.285702
  H      -4.840466     -1.853971     -0.113635
  H      -5.026987     -1.020033      3.479706
  H      -3.265324     -0.978154      3.836039
  H      -4.022427      0.261133      2.806981
  H      -5.733093     -6.082498      6.613181
  H      -6.373882     -5.121556      8.073814
  H      -9.620496     -4.753089      6.940324
  H      -8.829022     -3.300347      6.327347
  H      -8.417525     -3.911626      7.954687
  H      -7.560097     -6.555608      4.771593
  H      -8.834526     -5.345048      4.618207
  H      -7.579226     -5.975857      2.142371
  H      -6.961395     -4.369623      1.682386
  H      -8.570630     -4.538265      2.432023
  H      -8.033268     -2.855218      3.900023
  H      -6.786914     -2.946196      5.146692
  H      -6.321975     -2.666139      3.439377
  H      -4.303283     -8.091393      9.218038
  H      -2.730176     -7.195412      9.654893
  H      -4.069380     -7.389889      5.742638
  H      -3.405815     -8.994629      6.014629
  H      -4.876993     -8.502424      6.907213
  H      -1.109460     -6.776015      7.982107
  H      -1.254182     -7.558241      6.406621
  H       0.256323     -5.535309      5.996942
  H      -0.142937     -4.751880      7.538200
  H      -0.444688     -3.900178      6.003183
  H      -3.832784     -4.842464      7.282207
  H      -2.484969     -4.766059      8.431448
  H      -2.598163     -3.542192      7.158931
  N      -4.361602     -2.775038      5.511257
  H      -3.598651     -2.352602      6.040555
  H      -4.933275     -3.307107      6.174681
  H      -4.939222     -2.009250      5.166242
  N      -1.913590     -3.161575      3.954089
  N      -1.000728     -2.487630      4.066088
89
Coordinates from ORCA-job orca E -5532.143650454115
  N      -3.820389     -3.089704      2.118301
  C      -3.656959     -3.917324      0.918541
  C      -2.758615     -5.111233      1.200435
  N      -3.257234     -5.810312      2.404726
  C      -4.525035     -6.542009      2.115452
  C      -5.352826     -6.533633      3.386628
  N      -5.500521     -5.151651      3.847103
  Mo     -3.679436     -4.174023      3.874096
  N      -2.473509     -5.498123      5.087689
  C      -1.525609     -6.110142      4.154273
  C      -2.267790     -6.752641      3.000544
  H      -0.929034     -6.911335      4.630114
  H      -0.785411     -5.379873      3.765407
  H      -2.829220     -7.611939      3.390555
  H      -1.583516     -7.121893      2.216934
  H      -6.310563     -7.042468      3.195097
  H      -4.838924     -7.143141      4.148404
  H      -5.071804     -6.012838      1.326317
  H      -4.291953     -7.559823      1.753864
  H      -3.205412     -3.362979      0.081339
  H      -4.639506     -4.269205      0.542001
  H      -1.739244     -4.764084      1.418527
  H      -2.723153     -5.801436      0.334781
  C      -2.525487      0.994189      0.036749
  C      -2.105900      0.239693      1.065250
  C      -1.254588      0.819023      2.162019
  C      -2.412939     -1.237558      1.152924
  C      -3.791559     -1.638780      1.808829
  C      -4.938791     -1.304069      0.833614
  C      -4.024083     -0.803617      3.067845
  C      -6.502811     -5.451307      7.036429
  C      -7.577903     -5.074818      6.325437
  C      -8.655861     -4.217188      6.930966
  C      -7.776003     -5.485034      4.887696
  C      -6.907629     -4.701421      3.837233
  C      -7.541979     -4.917457      2.439273
  C      -7.016820     -3.199220      4.107447
  C      -3.373751     -7.622557      8.882484
  C      -3.037873     -7.569994      7.583741
  C      -3.900801     -8.165750      6.515329
  C      -1.777930     -6.894044      7.120972
  C      -1.912774     -5.460450      6.465875
  C      -0.483160     -4.864902      6.503045
  C      -2.782199     -4.604675      7.383890
  H      -2.301453      2.061507     -0.014681
  H      -3.097858      0.568311     -0.789830
  H      -1.681878      0.625986      3.157471
  H      -1.119277      1.901624      2.039957
  H      -0.262092      0.341133      2.161075
  H      -1.620571     -1.735166      1.728147
  H      -2.387692     -1.650481      0.134555
  H      -4.942034     -0.229934      0.602341
  H      -5.905319     -1.567042      1.288857
  H      -4.844199     -1.851879     -0.113307
  H      -5.020959     -1.014976      3.478989
  H      -3.259493     -0.982826      3.832139
  H      -4.009213      0.262680      2.806285
  H      -5.735125     -6.094918      6.609537
  H      -6.372454     -5.137458      8.074735
  H      -9.617101     -4.757932      6.943344
  H      -8.823464     -3.305475      6.335289
  H      -8.413014     -3.922995      7.960883
  H      -7.558865     -6.556188      4.768613
  H      -8.835319     -5.347197      4.619309
  H      -7.581068     -5.974092      2.142319
  H      -6.964034     -4.366946      1.682857
  H      -8.573768     -4.537571      2.431306
  H      -8.041050     -2.856900      3.905110
  H      -6.791551     -2.947297      5.149169
  H      -6.331449     -2.659113      3.441362
  H      -4.298954     -8.100285      9.213694
  H      -2.731906     -7.191955      9.653820
  H      -4.062835     -7.404386      5.739337
  H      -3.386733     -9.003805      6.014336
  H      -4.864260     -8.522735      6.902952
  H      -1.109169     -6.767880      7.984743
  H      -1.249211     -7.548321      6.408808
  H       0.248249     -5.515079      6.001769
  H      -0.154213     -4.739940      7.545477
  H      -0.460040     -3.883996      6.014723
  H      -3.846282     -4.848714      7.280330
  H      -2.503787     -4.767583      8.434423
  H      -2.619224     -3.541142      7.164912
  N      -4.361494     -2.769805      5.506848
  H      -3.593940     -2.347048      6.034195
  H      -4.932289     -3.302669      6.172388
  H      -4.940172     -2.001566      5.163812
  N      -1.912916     -3.163635      3.947095
  N      -0.998800     -2.491543      4.060642
89
Coordinates from ORCA-job orca E -5532.143707424985
  N      -3.822649     -3.085119      2.113475
  C      -3.660065     -3.917372      0.916353
  C      -2.761172     -5.110463      1.200630
  N      -3.258376     -5.807470      2.407321
  C      -4.526163     -6.540765      2.119204
  C      -5.355403     -6.529386      3.389400
  N      -5.504253     -5.145547      3.846111
  Mo     -3.682013     -4.169297      3.870263
  N      -2.477821     -5.491207      5.088689
  C      -1.527776     -6.103401      4.158159
  C      -2.268134     -6.748058      3.004769
  H      -0.932586     -6.903053      4.637503
  H      -0.787549     -5.373807      3.771063
  H      -2.829362     -7.606922      3.396140
  H      -1.583583     -7.117506      2.221830
  H      -6.312390     -7.039714      3.199063
  H      -4.841632     -7.134836      4.154692
  H      -5.073124     -6.013047      1.329257
  H      -4.290974     -7.558599      1.759545
  H      -3.207690     -3.367328      0.076572
  H      -4.643438     -4.269274      0.541333
  H      -1.741304     -4.763421      1.417291
  H      -2.726746     -5.802194      0.335817
  C      -2.516111      0.995380      0.039068
  C      -2.095750      0.232713      1.061049
  C      -1.233705      0.799368      2.154482
  C      -2.413176     -1.241479      1.143898
  C      -3.792744     -1.635889      1.800792
  C      -4.937564     -1.302682      0.823412
  C      -4.024070     -0.797993      3.058786
  C      -6.513491     -5.473716      7.036267
  C      -7.585288     -5.086699      6.326183
  C      -8.661456     -4.229822      6.935422
  C      -7.781012     -5.486659      4.884776
  C      -6.911795     -4.695667      3.840776
  C      -7.546688     -4.900387      2.441387
  C      -7.022353     -3.196469      4.126228
  C      -3.367127     -7.629068      8.880022
  C      -3.027329     -7.573418      7.581925
  C      -3.879220     -8.180594      6.512494
  C      -1.773182     -6.886630      7.121706
  C      -1.917891     -5.453006      6.468966
  C      -0.492390     -4.847617      6.508873
  C      -2.794896     -4.606108      7.388840
  H      -2.283874      2.060984     -0.009016
  H      -3.097510      0.578893     -0.785001
  H      -1.655596      0.601560      3.151781
  H      -1.091363      1.881427      2.038192
  H      -0.244833      0.315224      2.143550
  H      -1.623917     -1.746654      1.714965
  H      -2.393245     -1.650878      0.124617
  H      -4.939185     -0.228945      0.588606
  H      -5.904232     -1.562156      1.278575
  H      -4.843010     -1.854571     -0.122299
  H      -5.021822     -1.004916      3.469883
  H      -3.261159     -0.980752      3.823874
  H      -4.001595      0.268248      2.795808
  H      -5.748277     -6.117870      6.604740
  H      -6.382975     -5.168629      8.077557
  H      -9.624111     -4.767300      6.941476
  H      -8.825094     -3.314047      6.345565
  H      -8.420516     -3.943109      7.968409
  H      -7.562820     -6.557570      4.758908
  H      -8.840564     -5.347973      4.615614
  H      -7.585902     -5.955299      2.137994
  H      -6.967639     -4.344974      1.688499
  H      -8.578909     -4.519511      2.435053
  H      -8.050240     -2.853682      3.934678
  H      -6.791316     -2.958257      5.170806
  H      -6.342287     -2.645995      3.460674
  H      -4.286765     -8.118016      9.208864
  H      -2.735250     -7.186361      9.651210
  H      -4.049133     -7.421533      5.736063
  H      -3.352542     -9.011986      6.014390
  H      -4.838676     -8.549880      6.897735
  H      -1.104098     -6.757774      7.985746
  H      -1.239936     -7.535773      6.407831
  H       0.241204     -5.490906      6.004487
  H      -0.163875     -4.726581      7.551736
  H      -0.473111     -3.863820      6.027412
  H      -3.856806     -4.859954      7.283832
  H      -2.518429     -4.771051      8.440348
  H      -2.641325     -3.540787      7.175770
  N      -4.360483     -2.760679      5.501514
  H      -3.589208     -2.329312      6.017830
  H      -4.923887     -3.292148      6.174869
  H      -4.946958     -1.997381      5.158869
  N      -1.914063     -3.161645      3.939681
  N      -0.998003     -2.492412      4.056786
89
Coordinates from ORCA-job orca E -5532.143765310895
  N      -3.822254     -3.083626      2.107412
  C      -3.661983     -3.921165      0.913755
  C      -2.764500     -5.113568      1.202225
  N      -3.261855     -5.805617      2.412068
  C      -4.530378     -6.539427      2.126119
  C      -5.361730     -6.521932      3.394674
  N      -5.509008     -5.135800      3.845918
  Mo     -3.685369     -4.163072      3.866739
  N      -2.485984     -5.484125      5.094252
  C      -1.532867     -6.095903      4.166313
  C      -2.271283     -6.744334      3.012707
  H      -0.937589     -6.893274      4.649066
  H      -0.793479     -5.365746      3.779913
  H      -2.832509     -7.602839      3.405703
  H      -1.585725     -7.114786      2.231231
  H      -6.319261     -7.031375      3.204615
  H      -4.850568     -7.123960      4.164710
  H      -5.076034     -6.013413      1.334009
  H      -4.294702     -7.558338      1.770310
  H      -3.209341     -3.376539      0.070445
  H      -4.646720     -4.272667      0.541777
  H      -1.743984     -4.767395      1.417430
  H      -2.731469     -5.808377      0.339693
  C      -2.510196      1.001991      0.037128
  C      -2.088195      0.230244      1.051859
  C      -1.217225      0.786161      2.144425
  C      -2.413635     -1.243276      1.129024
  C      -3.792994     -1.635361      1.790938
  C      -4.940834     -1.304223      0.815804
  C      -4.019627     -0.795064      3.047898
  C      -6.514616     -5.502453      7.026061
  C      -7.586255     -5.098436      6.324456
  C      -8.654323     -4.241962      6.946805
  C      -7.788121     -5.479975      4.878790
  C      -6.915459     -4.684938      3.841332
  C      -7.546646     -4.881924      2.439321
  C      -7.024544     -3.188258      4.138328
  C      -3.365179     -7.642074      8.876791
  C      -3.017669     -7.582171      7.580795
  C      -3.851538     -8.206005      6.507905
  C      -1.771198     -6.877814      7.127410
  C      -1.928750     -5.445793      6.476008
  C      -0.509132     -4.826987      6.519836
  C      -2.815463     -4.610974      7.396214
  H      -2.271336      2.067012     -0.005539
  H      -3.099490      0.594271     -0.785853
  H      -1.634964      0.582381      3.141804
  H      -1.070297      1.869097      2.035402
  H      -0.229591      0.296756      2.125780
  H      -1.623509     -1.755775      1.694038
  H      -2.401672     -1.648759      0.108273
  H      -4.943050     -0.230699      0.577158
  H      -5.906997     -1.561974      1.274663
  H      -4.849253     -1.859083     -0.128377
  H      -5.017863     -0.995799      3.460956
  H      -3.257247     -0.981656      3.812811
  H      -3.988423      0.270689      2.783046
  H      -5.755107     -6.146288      6.583295
  H      -6.376898     -5.211574      8.070286
  H      -9.620163     -4.773975      6.950802
  H      -8.815089     -3.318621      6.367036
  H      -8.407940     -3.968408      7.981777
  H      -7.578240     -6.550623      4.741583
  H      -8.846723     -5.331382      4.613177
  H      -7.585768     -5.935994      2.132781
  H      -6.963402     -4.324791      1.690991
  H      -8.578283     -4.499384      2.429544
  H      -8.050986     -2.843691      3.949281
  H      -6.794441     -2.961150      5.185093
  H      -6.345055     -2.632104      3.479451
  H      -4.278522     -8.146299      9.199966
  H      -2.743990     -7.187938      9.653404
  H      -4.031816     -7.450545      5.730756
  H      -3.306367     -9.027342      6.014792
  H      -4.806107     -8.593052      6.887888
  H      -1.107431     -6.741169      7.993531
  H      -1.226778     -7.519152      6.417009
  H       0.227846     -5.459564      6.006996
  H      -0.178874     -4.713819      7.563735
  H      -0.498294     -3.837486      6.049520
  H      -3.875005     -4.877296      7.289578
  H      -2.539122     -4.777131      8.448060
  H      -2.673661     -3.542384      7.190260
  N      -4.356101     -2.749006      5.498058
  H      -3.579563     -2.310092      6.001178
  H      -4.908722     -3.280421      6.179953
  H      -4.951989     -1.990736      5.159107
  N      -1.913791     -3.161346      3.931006
  N      -0.994508     -2.496111      4.046042
89
Coordinates from ORCA-job orca E -5532.143849571138
  N      -3.826036     -3.079621      2.097540
  C      -3.669605     -3.926439      0.910193
  C      -2.775432     -5.118629      1.206923
  N      -3.272706     -5.799858      2.422983
  C      -4.541535     -6.536370      2.143381
  C      -5.376808     -6.505958      3.408875
  N      -5.521223     -5.115746      3.848728
  Mo     -3.696092     -4.148005      3.862701
  N      -2.500244     -5.464129      5.105080
  C      -1.542685     -6.075025      4.178927
  C      -2.279880     -6.732975      3.029448
  H      -0.943067     -6.867086      4.664912
  H      -0.807558     -5.343106      3.788668
  H      -2.839134     -7.589809      3.428085
  H      -1.593406     -7.106821      2.250318
  H      -6.335618     -7.012943      3.217949
  H      -4.872175     -7.102119      4.188426
  H      -5.084908     -6.015908      1.345932
  H      -4.305091     -7.558171      1.797122
  H      -3.217140     -3.390769      0.060971
  H      -4.656646     -4.277493      0.543937
  H      -1.753797     -4.774132      1.418654
  H      -2.745410     -5.820239      0.349996
  C      -2.485525      1.005720      0.034221
  C      -2.067178      0.217264      1.037960
  C      -1.178248      0.748337      2.128754
  C      -2.413521     -1.251986      1.104126
  C      -3.792961     -1.634106      1.773665
  C      -4.940857     -1.302743      0.800052
  C      -4.013171     -0.788053      3.027759
  C      -6.525859     -5.572381      7.003960
  C      -7.592592     -5.127970      6.319837
  C      -8.641218     -4.269483      6.969376
  C      -7.806819     -5.469591      4.865729
  C      -6.926196     -4.664728      3.842821
  C      -7.547383     -4.848500      2.435148
  C      -7.035021     -3.172460      4.159790
  C      -3.352138     -7.663421      8.867993
  C      -2.989466     -7.599325      7.577400
  C      -3.791741     -8.253288      6.496276
  C      -1.760047     -6.859783      7.134515
  C      -1.947932     -5.427515      6.488779
  C      -0.542577     -4.778696      6.537186
  C      -2.854101     -4.618095      7.412965
  H      -2.228696      2.067252     -0.000256
  H      -3.089251      0.615645     -0.787528
  H      -1.591001      0.541881      3.127836
  H      -1.012505      1.829538      2.028951
  H      -0.200173      0.240644      2.098255
  H      -1.625505     -1.781586      1.657023
  H      -2.417497     -1.648792      0.079907
  H      -4.938847     -0.231053      0.555458
  H      -5.907648     -1.552207      1.262241
  H      -4.853401     -1.863216     -0.140528
  H      -5.013787     -0.976264      3.440760
  H      -3.254808     -0.982480      3.794405
  H      -3.966083      0.276500      2.760359
  H      -5.782212     -6.218206      6.538561
  H      -6.374244     -5.313292      8.054382
  H      -9.615481     -4.785427      6.966811
  H      -8.790641     -3.329836      6.412900
  H      -8.384633     -4.026138      8.009039
  H      -7.615639     -6.539808      4.703581
  H      -8.863545     -5.298613      4.607195
  H      -7.582128     -5.900877      2.121990
  H      -6.956873     -4.285810      1.696899
  H      -8.578873     -4.466251      2.417870
  H      -8.064941     -2.828596      3.983299
  H      -6.796117     -2.964221      5.209344
  H      -6.362537     -2.602611      3.503357
  H      -4.254469     -8.193678      9.180286
  H      -2.755974     -7.183864      9.650322
  H      -3.994361     -7.503447      5.718907
  H      -3.213063     -9.056590      6.009627
  H      -4.736685     -8.672957      6.866627
  H      -1.105590     -6.710060      8.006435
  H      -1.193100     -7.485381      6.426360
  H       0.204368     -5.386028      6.006055
  H      -0.208678     -4.679152      7.580820
  H      -0.554760     -3.779300      6.088102
  H      -3.907800     -4.908656      7.304614
  H      -2.575324     -4.784556      8.463263
  H      -2.737723     -3.545344      7.219180
  N      -4.350785     -2.723440      5.495359
  H      -3.567251     -2.268173      5.969504
  H      -4.874970     -3.256047      6.195956
  H      -4.968623     -1.979284      5.167249
  N      -1.918553     -3.153163      3.918598
  N      -0.993623     -2.493884      4.020874
89
Coordinates from ORCA-job orca E -5532.143929142193
  N      -3.827663     -3.080827      2.090435
  C      -3.670967     -3.931147      0.905634
  C      -2.778759     -5.123700      1.207720
  N      -3.279396     -5.798233      2.425708
  C      -4.549079     -6.533575      2.148354
  C      -5.385630     -6.496741      3.412230
  N      -5.525966     -5.105789      3.850833
  Mo     -3.700647     -4.140646      3.859650
  N      -2.506956     -5.452567      5.108394
  C      -1.549520     -6.067795      4.185198
  C      -2.287465     -6.729562      3.037715
  H      -0.949175     -6.857585      4.673077
  H      -0.814736     -5.337840      3.790950
  H      -2.847122     -7.584873      3.438530
  H      -1.599518     -7.106408      2.261484
  H      -6.346193     -6.999869      3.219335
  H      -4.885407     -7.094718      4.193742
  H      -5.089281     -6.014841      1.347464
  H      -4.315276     -7.557687      1.807005
  H      -3.219211     -3.397840      0.054671
  H      -4.658454     -4.283190      0.541077
  H      -1.756951     -4.779795      1.419566
  H      -2.748563     -5.829509      0.354323
  C      -2.468453      1.003625      0.029825
  C      -2.056236      0.209361      1.031305
  C      -1.167348      0.733277      2.127346
  C      -2.410646     -1.258198      1.091448
  C      -3.791092     -1.636581      1.761846
  C      -4.937204     -1.305091      0.785261
  C      -4.011121     -0.786220      3.013084
  C      -6.526400     -5.613218      6.989313
  C      -7.593218     -5.149353      6.318928
  C      -8.634543     -4.295585      6.988356
  C      -7.815543     -5.465437      4.860513
  C      -6.930341     -4.652656      3.847719
  C      -7.547614     -4.821216      2.437039
  C      -7.037036     -3.164176      4.182263
  C      -3.350571     -7.670453      8.864878
  C      -2.980417     -7.603471      7.575952
  C      -3.763158     -8.273096      6.489941
  C      -1.759353     -6.846059      7.139049
  C      -1.958929     -5.416091      6.492974
  C      -0.558616     -4.756216      6.546561
  C      -2.873944     -4.617879      7.418068
  H      -2.205379      2.064011      0.000358
  H      -3.073140      0.618914     -0.794806
  H      -1.584416      0.528459      3.124103
  H      -0.995192      1.814444      2.031228
  H      -0.191233      0.218027      2.100007
  H      -1.624885     -1.795327      1.640257
  H      -2.418971     -1.650962      0.065420
  H      -4.933412     -0.233711      0.538492
  H      -5.905226     -1.552334      1.246266
  H      -4.849095     -1.867434     -0.154186
  H      -5.014053     -0.969260      3.423268
  H      -3.255915     -0.983115      3.783065
  H      -3.958945      0.278197      2.743899
  H      -5.788568     -6.255044      6.508538
  H      -6.367351     -5.373555      8.043021
  H      -9.611804     -4.807191      6.983834
  H      -8.782929     -3.346763      6.447851
  H      -8.370996     -4.069449      8.030216
  H      -7.636129     -6.534680      4.680524
  H      -8.871300     -5.280036      4.608020
  H      -7.580420     -5.870669      2.113799
  H      -6.954632     -4.251600      1.706241
  H      -8.578879     -4.438571      2.421048
  H      -8.067097     -2.817539      4.014767
  H      -6.792594     -2.969171      5.232825
  H      -6.367722     -2.587778      3.529049
  H      -4.246308     -8.214558      9.172743
  H      -2.768786     -7.178937      9.649354
  H      -3.974973     -7.527289      5.711488
  H      -3.166250     -9.065930      6.008018
  H      -4.703079     -8.709328      6.854126
  H      -1.114741     -6.686603      8.015472
  H      -1.178063     -7.464660      6.437323
  H       0.192483     -5.351998      6.008611
  H      -0.223643     -4.664664      7.591184
  H      -0.579589     -3.752122      6.107589
  H      -3.925195     -4.916564      7.306386
  H      -2.594555     -4.788467      8.467716
  H      -2.766802     -3.542270      7.233020
  N      -4.343856     -2.705917      5.489097
  H      -3.555970     -2.243861      5.948481
  H      -4.853431     -3.236723      6.201096
  H      -4.970940     -1.968694      5.163856
  N      -1.921346     -3.148678      3.910711
  N      -0.995732     -2.490114      4.010168
89
Coordinates from ORCA-job orca E -5532.144039071648
  N      -3.832420     -3.083584      2.085140
  C      -3.671096     -3.934244      0.901086
  C      -2.780025     -5.127033      1.207458
  N      -3.286163     -5.796528      2.425198
  C      -4.556255     -6.529739      2.148948
  C      -5.393364     -6.488835      3.411415
  N      -5.529609     -5.099717      3.853836
  Mo     -3.705830     -4.134904      3.858695
  N      -2.512999     -5.439934      5.110771
  C      -1.557274     -6.061858      4.190635
  C      -2.295566     -6.725747      3.043415
  H      -0.957080     -6.850294      4.679075
  H      -0.821887     -5.334664      3.791149
  H      -2.854487     -7.582294      3.442606
  H      -1.603395     -7.102150      2.270598
  H      -6.355534     -6.987456      3.214749
  H      -4.897150     -7.093277      4.191258
  H      -5.091637     -6.012637      1.343691
  H      -4.327179     -7.556808      1.812455
  H      -3.220969     -3.398781      0.051101
  H      -4.657605     -4.289375      0.535833
  H      -1.758695     -4.782301      1.421505
  H      -2.747157     -5.836208      0.356880
  C      -2.447328      0.994274      0.019814
  C      -2.046296      0.199490      1.025717
  C      -1.161422      0.721063      2.127886
  C      -2.406907     -1.266465      1.085378
  C      -3.790132     -1.640287      1.752051
  C      -4.929060     -1.306831      0.767432
  C      -4.017569     -0.783761      2.997740
  C      -6.515009     -5.659825      6.970044
  C      -7.585790     -5.176379      6.320485
  C      -8.613819     -4.327022      7.016495
  C      -7.824248     -5.463559      4.858726
  C      -6.933754     -4.644126      3.855226
  C      -7.548757     -4.795537      2.442129
  C      -7.036762     -3.159798      4.208563
  C      -3.364020     -7.669942      8.858097
  C      -2.983025     -7.601907      7.572655
  C      -3.741613     -8.287364      6.480503
  C      -1.766343     -6.830801      7.144439
  C      -1.972350     -5.402209      6.496145
  C      -0.575421     -4.735456      6.555548
  C      -2.894980     -4.612908      7.422251
  H      -2.177478      2.052537     -0.008640
  H      -3.048876      0.610421     -0.808695
  H      -1.587826      0.528616      3.123405
  H      -0.977200      1.799657      2.027320
  H      -0.192026      0.193793      2.112032
  H      -1.625122     -1.807369      1.636005
  H      -2.414302     -1.660191      0.058442
  H      -4.923396     -0.235639      0.524004
  H      -5.899744     -1.555782      1.221033
  H      -4.834002     -1.865715     -0.173231
  H      -5.025062     -0.963265      3.399061
  H      -3.269911     -0.979234      3.775444
  H      -3.963433      0.279725      2.726664
  H      -5.786106     -6.294926      6.468811
  H      -6.341500     -5.441739      8.026162
  H      -9.593647     -4.834325      7.018959
  H      -8.765288     -3.369877      6.492207
  H      -8.334481     -4.117142      8.057675
  H      -7.664437     -6.532027      4.657461
  H      -8.878449     -5.257034      4.615793
  H      -7.581149     -5.841623      2.108054
  H      -6.953734     -4.219351      1.718254
  H      -8.579347     -4.411351      2.430160
  H      -8.067271     -2.810548      4.054993
  H      -6.780604     -2.977332      5.258086
  H      -6.374130     -2.577416      3.555193
  H      -4.255104     -8.225948      9.159266
  H      -2.795931     -7.171272      9.647928
  H      -3.958702     -7.545875      5.699601
  H      -3.124774     -9.068639      6.006559
  H      -4.677023     -8.739851      6.835657
  H      -1.134369     -6.662178      8.029157
  H      -1.170730     -7.447033      6.451403
  H       0.180209     -5.321206      6.012817
  H      -0.241575     -4.651915      7.600946
  H      -0.602918     -3.727863      6.125065
  H      -3.944757     -4.912014      7.301418
  H      -2.618800     -4.794901      8.470253
  H      -2.788449     -3.534347      7.252014
  N      -4.331988     -2.685832      5.481471
  H      -3.539738     -2.213609      5.922166
  H      -4.823310     -3.209407      6.211408
  H      -4.968694     -1.959340      5.152682
  N      -1.927795     -3.141707      3.908766
  N      -1.003830     -2.481194      4.010259
89
Coordinates from ORCA-job orca E -5532.144105690155
  N      -3.832544     -3.084049      2.082586
  C      -3.672899     -3.936274      0.899075
  C      -2.782554     -5.130534      1.206367
  N      -3.287976     -5.798346      2.425611
  C      -4.558437     -6.530569      2.151179
  C      -5.395948     -6.485800      3.413248
  N      -5.530089     -5.096671      3.855658
  Mo     -3.705316     -4.132782      3.857056
  N      -2.516733     -5.435303      5.111025
  C      -1.561044     -6.060277      4.193171
  C      -2.297741     -6.725867      3.046190
  H      -0.961324     -6.848269      4.683345
  H      -0.824826     -5.334324      3.792099
  H      -2.855767     -7.583090      3.444546
  H      -1.603827     -7.101674      2.274867
  H      -6.359118     -6.982523      3.215844
  H      -4.901406     -7.092221      4.192739
  H      -5.092849     -6.016114      1.343697
  H      -4.331817     -7.559376      1.818229
  H      -3.222840     -3.400919      0.049076
  H      -4.659290     -4.291276      0.534613
  H      -1.761001     -4.786123      1.418179
  H      -2.751279     -5.840814      0.357153
  C      -2.441670      0.994593      0.020432
  C      -2.041493      0.196461      1.023822
  C      -1.157243      0.714498      2.127421
  C      -2.403378     -1.268958      1.079878
  C      -3.787340     -1.641220      1.746734
  C      -4.925180     -1.307797      0.759409
  C      -4.015958     -0.782792      2.990645
  C      -6.513229     -5.680843      6.963952
  C      -7.583705     -5.188939      6.321935
  C      -8.609613     -4.345120      7.029733
  C      -7.826516     -5.461859      4.858060
  C      -6.933751     -4.639710      3.859361
  C      -7.548793     -4.783951      2.445707
  C      -7.036199     -3.157200      4.219991
  C      -3.369808     -7.669387      8.855626
  C      -2.984566     -7.599341      7.571151
  C      -3.733311     -8.291903      6.475256
  C      -1.769759     -6.821590      7.147859
  C      -1.978865     -5.394141      6.497479
  C      -0.584286     -4.723432      6.559838
  C      -2.907106     -4.609133      7.421879
  H      -2.171635      2.052848     -0.004416
  H      -3.042896      0.613539     -0.808615
  H      -1.586507      0.521268      3.121274
  H      -0.971122      1.793193      2.028658
  H      -0.187984      0.186097      2.112439
  H      -1.621982     -1.812208      1.628274
  H      -2.411549     -1.659006      0.052074
  H      -4.918555     -0.235857      0.515915
  H      -5.896392     -1.558207      1.211817
  H      -4.828918     -1.866141     -0.182215
  H      -5.024691     -0.962419      3.389188
  H      -3.271240     -0.978555      3.770784
  H      -3.961980      0.280476      2.718740
  H      -5.785008     -6.310899      6.453694
  H      -6.338838     -5.474542      8.022537
  H      -9.589897     -4.851571      7.031205
  H      -8.762195     -3.383547      6.515178
  H      -8.326415     -4.144203      8.072023
  H      -7.675449     -6.530013      4.646606
  H      -8.879447     -5.245552      4.618264
  H      -7.583387     -5.828481      2.106999
  H      -6.952880     -4.206066      1.724091
  H      -8.578654     -4.397947      2.436475
  H      -8.068789     -2.808981      4.076180
  H      -6.771462     -2.979200      5.268188
  H      -6.379773     -2.570154      3.563531
  H      -4.258137     -8.231435      9.153701
  H      -2.810600     -7.165968      9.645553
  H      -3.951895     -7.552920      5.691861
  H      -3.107404     -9.068935      6.004754
  H      -4.666945     -8.752101      6.825753
  H      -1.144284     -6.647531      8.035531
  H      -1.167675     -7.436494      6.459705
  H       0.173874     -5.304316      6.015358
  H      -0.251264     -4.642788      7.605394
  H      -0.615500     -3.714694      6.132615
  H      -3.955982     -4.907458      7.290490
  H      -2.637969     -4.799187      8.470551
  H      -2.798627     -3.529158      7.259367
  N      -4.319559     -2.678129      5.477583
  H      -3.523905     -2.201447      5.909179
  H      -4.803028     -3.196231      6.216936
  H      -4.959325     -1.954555      5.146855
  N      -1.927148     -3.142794      3.902983
  N      -1.003364     -2.481754      4.003533
89
Coordinates from ORCA-job orca E -5532.144189285694
  N      -3.833944     -3.083992      2.079378
  C      -3.674608     -3.938182      0.896766
  C      -2.784196     -5.132334      1.205783
  N      -3.288183     -5.799542      2.426725
  C      -4.558886     -6.530939      2.153556
  C      -5.398893     -6.483683      3.415074
  N      -5.530477     -5.095174      3.858837
  Mo     -3.704794     -4.131270      3.855451
  N      -2.520281     -5.429042      5.113372
  C      -1.564502     -6.056525      4.197723
  C      -2.298384     -6.724593      3.050438
  H      -0.966373     -6.844499      4.690943
  H      -0.826189     -5.332411      3.795958
  H      -2.855920     -7.582473      3.448075
  H      -1.602701     -7.100218      2.280625
  H      -6.363008     -6.977405      3.214375
  H      -4.908264     -7.093264      4.194647
  H      -5.093393     -6.019416      1.344209
  H      -4.334000     -7.561185      1.823468
  H      -3.222337     -3.403400      0.047539
  H      -4.660255     -4.293360      0.530944
  H      -1.762406     -4.787412      1.415841
  H      -2.753704     -5.843405      0.357183
  C      -2.436381      0.991626      0.016054
  C      -2.037282      0.191367      1.018671
  C      -1.151024      0.705029      2.121193
  C      -2.401669     -1.273363      1.073398
  C      -3.786318     -1.641688      1.740754
  C      -4.922148     -1.307268      0.751948
  C      -4.016542     -0.781924      2.983018
  C      -6.514530     -5.705223      6.962795
  C      -7.583273     -5.202879      6.326382
  C      -8.605209     -4.363025      7.045054
  C      -7.829613     -5.459526      4.859589
  C      -6.933141     -4.635180      3.866650
  C      -7.548858     -4.768717      2.451839
  C      -7.032542     -3.155309      4.237784
  C      -3.381390     -7.672664      8.844001
  C      -2.985513     -7.598742      7.563603
  C      -3.717778     -8.300880      6.461663
  C      -1.772172     -6.811765      7.152624
  C      -1.986491     -5.383962      6.502023
  C      -0.596243     -4.705143      6.570593
  C      -2.924415     -4.606416      7.424591
  H      -2.164980      2.049306     -0.007399
  H      -3.037953      0.612944     -0.813194
  H      -1.583077      0.515294      3.115353
  H      -0.957642      1.781564      2.020315
  H      -0.186389      0.171848      2.106983
  H      -1.620688     -1.817472      1.620726
  H      -2.411282     -1.661297      0.044949
  H      -4.914020     -0.234857      0.511622
  H      -5.893840     -1.559588      1.201518
  H      -4.822999     -1.862386     -0.191192
  H      -5.026116     -0.963195      3.379393
  H      -3.274544     -0.977539      3.765357
  H      -3.963097      0.280963      2.709917
  H      -5.788833     -6.331759      6.444754
  H      -6.340281     -5.511754      8.024436
  H      -9.586959     -4.865861      7.044209
  H      -8.756043     -3.396093      6.540592
  H      -8.317937     -4.172697      8.088703
  H      -7.690096     -6.528072      4.637396
  H      -8.880960     -5.230495      4.621821
  H      -7.588253     -5.811194      2.106752
  H      -6.950640     -4.189029      1.733381
  H      -8.577751     -4.379041      2.445436
  H      -8.065914     -2.806404      4.104761
  H      -6.759283     -2.984850      5.284859
  H      -6.382032     -2.563011      3.580773
  H      -4.267068     -8.243394      9.133336
  H      -2.832753     -7.166804      9.640363
  H      -3.938619     -7.565484      5.675246
  H      -3.078174     -9.070312      5.996514
  H      -4.647736     -8.773559      6.805045
  H      -1.155509     -6.632342      8.045372
  H      -1.160992     -7.423291      6.469516
  H       0.165756     -5.277831      6.024179
  H      -0.265080     -4.628327      7.616640
  H      -0.633256     -3.694866      6.148210
  H      -3.971320     -4.902536      7.275002
  H      -2.669457     -4.808603      8.474594
  H      -2.811164     -3.525154      7.273161
  N      -4.304336     -2.666478      5.469992
  H      -3.504425     -2.183106      5.889097
  H      -4.780286     -3.174311      6.221828
  H      -4.946663     -1.946168      5.134648
  N      -1.925301     -3.144498      3.895212
  N      -0.998560     -2.487864      3.996998
89
Coordinates from ORCA-job orca E -5532.144252749040
  N      -3.832720     -3.084375      2.077875
  C      -3.673340     -3.940769      0.896807
  C      -2.784368     -5.134471      1.208335
  N      -3.288192     -5.800858      2.430114
  C      -4.559884     -6.530263      2.157378
  C      -5.402330     -6.481338      3.418058
  N      -5.530748     -5.093136      3.862188
  Mo     -3.703716     -4.129634      3.856441
  N      -2.524000     -5.426649      5.116331
  C      -1.567817     -6.056306      4.203186
  C      -2.299761     -6.725504      3.055651
  H      -0.972645     -6.844697      4.699907
  H      -0.826461     -5.335212      3.802126
  H      -2.858406     -7.583042      3.452694
  H      -1.603360     -7.102278      2.287052
  H      -6.367489     -6.971806      3.214417
  H      -4.915719     -7.093152      4.198246
  H      -5.094826     -6.019664      1.347598
  H      -4.336395     -7.561180      1.828313
  H      -3.216837     -3.408444      0.048102
  H      -4.658533     -4.294344      0.528545
  H      -1.762122     -4.790481      1.418249
  H      -2.754381     -5.845974      0.359747
  C      -2.436779      0.990895      0.012002
  C      -2.035899      0.190408      1.014025
  C      -1.148779      0.703890      2.114739
  C      -2.399508     -1.274963      1.068877
  C      -3.784442     -1.642212      1.736745
  C      -4.921582     -1.309827      0.747754
  C      -4.014530     -0.781362      2.977952
  C      -6.512022     -5.722485      6.959657
  C      -7.581315     -5.213552      6.328375
  C      -8.598961     -4.377092      7.055663
  C      -7.831051     -5.456296      4.860044
  C      -6.931997     -4.630703      3.871295
  C      -7.547503     -4.758597      2.455550
  C      -7.030127     -3.152334      4.247875
  C      -3.392444     -7.677888      8.834043
  C      -2.987858     -7.598665      7.556653
  C      -3.708114     -8.307207      6.450670
  C      -1.775031     -6.804928      7.156678
  C      -1.992872     -5.377240      6.505899
  C      -0.606503     -4.692646      6.576488
  C      -2.937532     -4.603491      7.425198
  H      -2.166888      2.049043     -0.011585
  H      -3.038669      0.612835     -0.816271
  H      -1.581942      0.513935      3.108736
  H      -0.954434      1.780047      2.012074
  H      -0.184244      0.171729      2.100751
  H      -1.616920     -1.817288      1.616110
  H      -2.409571     -1.662188      0.040562
  H      -4.913362     -0.236467      0.506547
  H      -5.893079     -1.563407      1.197855
  H      -4.822239     -1.865520     -0.195584
  H      -5.023126     -0.964767      3.375206
  H      -3.272644     -0.975010      3.760401
  H      -3.962612      0.280605      2.702902
  H      -5.787822     -6.345632      6.435733
  H      -6.336302     -5.537838      8.022323
  H      -9.582313     -4.876039      7.052759
  H      -8.747216     -3.405063      6.559415
  H      -8.308261     -4.196741      8.099734
  H      -7.701185     -6.524396      4.629537
  H      -8.880932     -5.216744      4.625524
  H      -7.591138     -5.800100      2.107672
  H      -6.946457     -4.179231      1.739328
  H      -8.575295     -4.365619      2.448817
  H      -8.065594     -2.804461      4.123233
  H      -6.750125     -2.985580      5.294182
  H      -6.384951     -2.555495      3.588605
  H      -4.276129     -8.255531      9.115537
  H      -2.852573     -7.170603      9.635615
  H      -3.931058     -7.575590      5.661627
  H      -3.058892     -9.071264      5.990569
  H      -4.635159     -8.788423      6.789386
  H      -1.164080     -6.622972      8.053864
  H      -1.156891     -7.413262      6.476214
  H       0.157424     -5.259972      6.026717
  H      -0.274622     -4.617935      7.622374
  H      -0.649349     -3.681114      6.157364
  H      -3.983376     -4.895431      7.259991
  H      -2.695761     -4.814642      8.476116
  H      -2.818028     -3.521749      7.281452
  N      -4.290880     -2.659051      5.468368
  H      -3.488249     -2.171005      5.877917
  H      -4.763466     -3.157542      6.228366
  H      -4.934104     -1.940463      5.130623
  N      -1.921816     -3.147836      3.890154
  N      -0.991551     -2.495331      3.987947
89
Coordinates from ORCA-job orca E -5532.144314895048
  N      -3.832562     -3.084916      2.075112
  C      -3.672530     -3.944126      0.896575
  C      -2.785125     -5.136989      1.211619
  N      -3.288645     -5.801112      2.434630
  C      -4.561120     -6.529234      2.163382
  C      -5.406253     -6.478219      3.422922
  N      -5.530775     -5.089983      3.867407
  Mo     -3.702934     -4.127123      3.857317
  N      -2.525843     -5.423119      5.119513
  C      -1.569073     -6.054312      4.207910
  C      -2.301069     -6.725332      3.061602
  H      -0.975871     -6.842719      4.707311
  H      -0.825389     -5.335993      3.806507
  H      -2.861252     -7.581184      3.460125
  H      -1.605501     -7.105454      2.293692
  H      -6.372607     -6.964434      3.215464
  H      -4.925149     -7.092205      4.204838
  H      -5.096724     -6.019209      1.353694
  H      -4.338096     -7.560503      1.835147
  H      -3.211753     -3.415408      0.047598
  H      -4.657467     -4.295962      0.526323
  H      -1.762412     -4.794287      1.421032
  H      -2.756091     -5.849748      0.363928
  C      -2.434307      0.985329      0.002483
  C      -2.034738      0.186519      1.006241
  C      -1.150589      0.702058      2.108262
  C      -2.399184     -1.278846      1.062255
  C      -3.783700     -1.643515      1.730904
  C      -4.920766     -1.312264      0.742666
  C      -4.012867     -0.781101      2.971086
  C      -6.518081     -5.744019      6.960361
  C      -7.583912     -5.224089      6.331713
  C      -8.597895     -4.389707      7.065872
  C      -7.834141     -5.451191      4.860763
  C      -6.930200     -4.623652      3.878383
  C      -7.544483     -4.741689      2.461030
  C      -7.023804     -3.147822      4.264236
  C      -3.403495     -7.688586      8.819423
  C      -2.985115     -7.603023      7.547079
  C      -3.687611     -8.319391      6.434119
  C      -1.775338     -6.797797      7.162490
  C      -1.998627     -5.371647      6.511040
  C      -0.617862     -4.677696      6.585261
  C      -2.952413     -4.603614      7.426935
  H      -2.165021      2.043553     -0.022563
  H      -3.034857      0.606477     -0.826459
  H      -1.587629      0.514341      3.100896
  H      -0.955565      1.777883      2.003121
  H      -0.185630      0.170103      2.099131
  H      -1.616106     -1.819736      1.609584
  H      -2.410428     -1.666611      0.034222
  H      -4.910880     -0.239462      0.501086
  H      -5.892213     -1.563834      1.193004
  H      -4.821393     -1.869094     -0.199709
  H      -5.019876     -0.966595      3.370835
  H      -3.269345     -0.972225      3.752487
  H      -3.962854      0.280152      2.693591
  H      -5.795426     -6.365454      6.432270
  H      -6.342981     -5.569565      8.024872
  H      -9.584748     -4.881281      7.054491
  H      -8.738052     -3.410767      6.580326
  H      -8.308278     -4.223403      8.112696
  H      -7.714084     -6.518759      4.621339
  H      -8.882282     -5.200288      4.628236
  H      -7.592258     -5.781371      2.108057
  H      -6.939268     -4.161173      1.749180
  H      -8.570857     -4.344662      2.453281
  H      -8.058835     -2.797499      4.145626
  H      -6.740207     -2.988251      5.310952
  H      -6.380397     -2.547636      3.606813
  H      -4.284782     -8.275008      9.089230
  H      -2.876348     -7.178314      9.628733
  H      -3.915474     -7.591788      5.642353
  H      -3.025133     -9.075715      5.979459
  H      -4.610556     -8.812815      6.766343
  H      -1.175956     -6.611046      8.065736
  H      -1.144212     -7.398892      6.488958
  H       0.149254     -5.236922      6.031636
  H      -0.285595     -4.605052      7.631198
  H      -0.668605     -3.664423      6.170658
  H      -3.996255     -4.892358      7.245010
  H      -2.725182     -4.823779      8.479152
  H      -2.828930     -3.521358      7.291736
  N      -4.276930     -2.646620      5.464770
  H      -3.471000     -2.155320      5.863967
  H      -4.747591     -3.134142      6.232403
  H      -4.920412     -1.928839      5.125382
  N      -1.916583     -3.149989      3.882262
  N      -0.981651     -2.504129      3.975707
89
Coordinates from ORCA-job orca E -5532.144386594271
  N      -3.829825     -3.086605      2.073715
  C      -3.666151     -3.947999      0.897972
  C      -2.780778     -5.140038      1.218093
  N      -3.288098     -5.801064      2.440556
  C      -4.562138     -6.525612      2.168353
  C      -5.409758     -6.473607      3.425987
  N      -5.528794     -5.085698      3.873152
  Mo     -3.700354     -4.124372      3.860174
  N      -2.527494     -5.422831      5.122398
  C      -1.570232     -6.058122      4.215442
  C      -2.303670     -6.728105      3.068847
  H      -0.981633     -6.847707      4.718266
  H      -0.821806     -5.344410      3.814862
  H      -2.867961     -7.581481      3.467731
  H      -1.609211     -7.112709      2.301934
  H      -6.378004     -6.953473      3.213165
  H      -4.935657     -7.091767      4.208894
  H      -5.096651     -6.012606      1.359706
  H      -4.340693     -7.556699      1.838481
  H      -3.200880     -3.422779      0.049043
  H      -4.650497     -4.298580      0.524347
  H      -1.757979     -4.798795      1.430148
  H      -2.750375     -5.854394      0.371433
  C      -2.437625      0.980397     -0.011407
  C      -2.038232      0.186939      0.996437
  C      -1.158534      0.709287      2.099260
  C      -2.399912     -1.279603      1.056596
  C      -3.783029     -1.645773      1.726578
  C      -4.922965     -1.319038      0.739546
  C      -4.010733     -0.781163      2.965312
  C      -6.523626     -5.762161      6.962884
  C      -7.584918     -5.231596      6.335328
  C      -8.595650     -4.397661      7.074167
  C      -7.835054     -5.445247      4.862159
  C      -6.926504     -4.615243      3.885836
  C      -7.539280     -4.723752      2.467071
  C      -7.015439     -3.141502      4.279675
  C      -3.415758     -7.702689      8.803919
  C      -2.983684     -7.610664      7.536540
  C      -3.667167     -8.334672      6.417311
  C      -1.777617     -6.793557      7.167511
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  H      -2.171020      2.039335     -0.041267
  H      -3.035780      0.596746     -0.840613
  H      -1.598838      0.525674      3.091096
  H      -0.965293      1.784784      1.989090
  H      -0.192208      0.179569      2.096848
  H      -1.614489     -1.816637      1.605108
  H      -2.411079     -1.670342      0.029507
  H      -4.914021     -0.246690      0.493436
  H      -5.893772     -1.568677      1.192967
  H      -4.825308     -1.880522     -0.200125
  H      -5.014962     -0.969465      3.369883
  H      -3.262558     -0.966522      3.743925
  H      -3.965770      0.279461      2.684146
  H      -5.802393     -6.383436      6.433297
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  H      -8.724551     -3.411491      6.599372
  H      -8.310019     -4.246493      8.124370
  H      -7.722695     -6.511916      4.615138
  H      -8.881743     -5.185106      4.632118
  H      -7.589613     -5.761675      2.109069
  H      -6.930177     -4.141333      1.760011
  H      -8.564425     -4.323432      2.457945
  H      -8.049999     -2.788276      4.165386
  H      -6.729234     -2.987228      5.326782
  H      -6.372497     -2.539737      3.623313
  H      -4.294500     -8.297553      9.062738
  H      -2.901757     -7.188685      9.619912
  H      -3.901060     -7.612607      5.622746
  H      -2.991511     -9.082960      5.969293
  H      -4.585991     -8.839745      6.743586
  H      -1.189290     -6.604288      8.078578
  H      -1.132215     -7.386725      6.499130
  H       0.140218     -5.219976      6.037615
  H      -0.296820     -4.595464      7.640344
  H      -0.687167     -3.652777      6.182425
  H      -4.011361     -4.887959      7.226957
  H      -2.757529     -4.833102      8.478943
  H      -2.840365     -3.521664      7.299406
  N      -4.261398     -2.633647      5.463508
  H      -3.451790     -2.142886      5.854699
  H      -4.733420     -3.109290      6.236863
  H      -4.902528     -1.914537      5.123198
  N      -1.908963     -3.153798      3.875900
  N      -0.969053     -2.513954      3.958990
89
Coordinates from ORCA-job orca E -5532.144459575684
  N      -3.827555     -3.087066      2.070757
  C      -3.661430     -3.952653      0.899443
  C      -2.779505     -5.144977      1.226128
  N      -3.290469     -5.799384      2.450030
  C      -4.565918     -6.522024      2.179553
  C      -5.415488     -6.464569      3.434887
  N      -5.528819     -5.075793      3.880929
  Mo     -3.699674     -4.118016      3.863658
  N      -2.531386     -5.419585      5.127438
  C      -1.571886     -6.057398      4.223874
  C      -2.307966     -6.728055      3.079283
  H      -0.984681     -6.846640      4.727908
  H      -0.822333     -5.346096      3.821757
  H      -2.874525     -7.578191      3.480738
  H      -1.615818     -7.117451      2.312553
  H      -6.385798     -6.938080      3.217595
  H      -4.949381     -7.084233      4.221590
  H      -5.098372     -6.008081      1.370260
  H      -4.346100     -7.553733      1.851213
  H      -3.193715     -3.432534      0.048582
  H      -4.645874     -4.302532      0.525061
  H      -1.756349     -4.805646      1.438761
  H      -2.749373     -5.863110      0.382707
  C      -2.437093      0.974228     -0.027383
  C      -2.037943      0.183223      0.982011
  C      -1.158943      0.708147      2.084845
  C      -2.400868     -1.282760      1.045065
  C      -3.782017     -1.647838      1.718261
  C      -4.923137     -1.325406      0.732173
  C      -4.007390     -0.778273      2.953955
  C      -6.530009     -5.799286      6.955073
  C      -7.586115     -5.247721      6.336758
  C      -8.586854     -4.413949      7.088418
  C      -7.839717     -5.436854      4.860941
  C      -6.924821     -4.601364      3.895079
  C      -7.533613     -4.694905      2.473853
  C      -7.008252     -3.131385      4.302959
  C      -3.429896     -7.721251      8.784955
  C      -2.978466     -7.621273      7.524644
  C      -3.630630     -8.359069      6.396236
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  C      -2.018720     -5.364239      6.523439
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  H      -2.169624      2.032916     -0.061007
  H      -3.036464      0.589057     -0.855420
  H      -1.600057      0.527388      3.076511
  H      -0.966014      1.783792      1.972056
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  H      -1.614617     -1.820092      1.591794
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  H      -4.912586     -0.255586      0.477911
  H      -5.893318     -1.567635      1.190152
  H      -4.829225     -1.895332     -0.202469
  H      -5.009482     -0.966241      3.363233
  H      -3.254626     -0.958420      3.729099
  H      -3.965493      0.281309      2.668803
  H      -5.814163     -6.419027      6.416736
  H      -6.351744     -5.650281      8.022133
  H      -9.585003     -4.881763      7.053608
  H      -8.700364     -3.416710      6.632143
  H      -8.302536     -4.287487      8.141810
  H      -7.737862     -6.500630      4.599802
  H      -8.884001     -5.163754      4.636620
  H      -7.585391     -5.729830      2.107791
  H      -6.918975     -4.108798      1.774739
  H      -8.557048     -4.290712      2.462807
  H      -8.042294     -2.774241      4.194942
  H      -6.717857     -2.987447      5.350595
  H      -6.366139     -2.525878      3.649152
  H      -4.302596     -8.330550      9.029419
  H      -2.938094     -7.198067      9.608898
  H      -3.875227     -7.644531      5.597955
  H      -2.933607     -9.092754      5.957315
  H      -4.541744     -8.883966      6.712993
  H      -1.210493     -6.588967      8.097110
  H      -1.113128     -7.365318      6.519295
  H       0.125183     -5.187575      6.047264
  H      -0.318623     -4.577375      7.654711
  H      -0.720215     -3.631022      6.202636
  H      -4.035299     -4.893051      7.209737
  H      -2.801634     -4.846956      8.481295
  H      -2.870173     -3.525717      7.313173
  N      -4.245108     -2.612223      5.461692
  H      -3.429810     -2.123315      5.842183
  H      -4.715612     -3.075006      6.243093
  H      -4.884404     -1.891826      5.121251
  N      -1.901331     -3.156643      3.866774
  N      -0.956259     -2.523974      3.936729
89
Coordinates from ORCA-job orca E -5532.144470454070
  N      -3.826353     -3.088407      2.069491
  C      -3.658681     -3.955409      0.898932
  C      -2.777050     -5.148137      1.228062
  N      -3.290530     -5.800104      2.452535
  C      -4.567089     -6.520501      2.180875
  C      -5.418255     -6.459870      3.434470
  N      -5.528721     -5.069905      3.880024
  Mo     -3.697491     -4.116876      3.863577
  N      -2.534019     -5.421272      5.127867
  C      -1.573885     -6.060888      4.229963
  C      -2.309855     -6.730392      3.083823
  H      -0.988923     -6.849603      4.736845
  H      -0.823479     -5.351175      3.828364
  H      -2.878180     -7.579998      3.484868
  H      -1.617413     -7.120141      2.318196
  H      -6.389523     -6.930669      3.215199
  H      -4.955548     -7.080559      4.222814
  H      -5.097022     -6.005533      1.370448
  H      -4.349056     -7.552934      1.853219
  H      -3.191388     -3.435862      0.047683
  H      -4.642964     -4.306488      0.524385
  H      -1.753983     -4.808621      1.441500
  H      -2.745987     -5.867786      0.385945
  C      -2.439559      0.975810     -0.029282
  C      -2.038112      0.182547      0.977875
  C      -1.154629      0.704828      2.079125
  C      -2.401548     -1.283694      1.038833
  C      -3.781604     -1.649617      1.715309
  C      -4.924508     -1.328849      0.730432
  C      -4.004720     -0.778454      2.950401
  C      -6.528448     -5.815898      6.952060
  C      -7.582614     -5.251662      6.337943
  C      -8.576804     -4.414316      7.096840
  C      -7.840229     -5.431866      4.860011
  C      -6.924605     -4.593788      3.896881
  C      -7.533283     -4.681689      2.475295
  C      -7.007146     -3.124629      4.310277
  C      -3.434300     -7.727309      8.779426
  C      -2.974911     -7.626982      7.522333
  C      -3.613201     -8.376382      6.389684
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  C      -2.027553     -5.359514      6.525729
  C      -0.664185     -4.633440      6.615174
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  H      -2.171260      2.034427     -0.061598
  H      -3.041182      0.592204     -0.856822
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  H      -5.893977     -1.570223      1.190261
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  H      -3.249706     -0.957611      3.724000
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  H      -5.818165     -6.438928      6.408279
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  H      -8.684134     -3.411284      6.647811
  H      -8.290109     -4.297501      8.152882
  H      -7.741551     -6.495611      4.593041
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  H      -6.918717     -4.092747      1.778350
  H      -8.556777     -4.277424      2.465930
  H      -8.041154     -2.766153      4.205385
  H      -6.714220     -2.984267      5.357887
  H      -6.366350     -2.517429      3.656658
  H      -4.303955     -8.345909      9.018864
  H      -2.952700     -7.195354      9.606237
  H      -3.864194     -7.664217      5.590897
  H      -2.903003     -9.103122      5.953233
  H      -4.521536     -8.914157      6.701652
  H      -1.217266     -6.575248      8.105245
  H      -1.102909     -7.353579      6.527419
  H       0.117715     -5.166220      6.054582
  H      -0.334493     -4.562905      7.663067
  H      -0.738788     -3.615727      6.212804
  H      -4.051735     -4.900215      7.199865
  H      -2.824292     -4.848782      8.480119
  H      -2.891891     -3.527015      7.313960
  N      -4.242091     -2.609173      5.461738
  H      -3.425257     -2.121556      5.840748
  H      -4.710198     -3.072275      6.244882
  H      -4.881915     -1.888437      5.122930
  N      -1.900009     -3.156064      3.858471
  N      -0.952176     -2.524902      3.920725
89
Coordinates from ORCA-job orca E -5532.144006833829
  N      -3.814082     -3.098497      2.083986
  C      -3.643432     -3.957508      0.906880
  C      -2.759868     -5.154164      1.228313
  N      -3.276264     -5.813270      2.448317
  C      -4.556174     -6.525287      2.168872
  C      -5.402763     -6.468470      3.423950
  N      -5.511132     -5.078347      3.877404
  Mo     -3.675442     -4.136266      3.871381
  N      -2.517615     -5.456872      5.112244
  C      -1.560763     -6.100537      4.225652
  C      -2.300082     -6.754468      3.072068
  H      -0.984224     -6.895240      4.733612
  H      -0.806246     -5.391673      3.829010
  H      -2.871202     -7.606664      3.465569
  H      -1.609889     -7.136570      2.303444
  H      -6.374278     -6.939485      3.208350
  H      -4.935098     -7.092668      4.205645
  H      -5.081751     -6.002089      1.360935
  H      -4.344517     -7.556854      1.833696
  H      -3.180353     -3.428404      0.060250
  H      -4.626309     -4.311192      0.529487
  H      -1.737448     -4.813118      1.443628
  H      -2.727050     -5.868765      0.383101
  C      -2.485672      0.978048     -0.022082
  C      -2.069833      0.199075      0.991349
  C      -1.194770      0.744031      2.088259
  C      -2.403394     -1.272680      1.061031
  C      -3.780299     -1.658201      1.734572
  C      -4.926870     -1.344430      0.749529
  C      -4.010073     -0.790988      2.970823
  C      -6.523704     -5.746915      6.980370
  C      -7.569849     -5.206813      6.347778
  C      -8.573658     -4.359617      7.074814
  C      -7.813665     -5.429082      4.881953
  C      -6.908718     -4.601239      3.901667
  C      -7.532131     -4.704368      2.490267
  C      -6.990219     -3.127172      4.291459
  C      -3.464121     -7.711882      8.761995
  C      -2.996924     -7.620099      7.511408
  C      -3.633259     -8.358039      6.372692
  C      -1.792522     -6.786617      7.177516
  C      -2.023285     -5.373791      6.512054
  C      -0.656231     -4.659222      6.609987
  C      -3.012577     -4.614708      7.391499
  H      -2.239343      2.040588     -0.061089
  H      -3.076383      0.576152     -0.848272
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  H      -1.024165      1.820548      1.972215
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  H      -1.610892     -1.796645      1.613070
  H      -2.404520     -1.670353      0.036420
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  H      -5.892910     -1.601681      1.205397
  H      -4.826680     -1.909821     -0.183759
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  H      -5.809177     -6.381289      6.462251
  H      -6.357204     -5.581887      8.045807
  H      -9.572787     -4.821847      7.035224
  H      -8.674840     -3.374448      6.605488
  H      -8.300886     -4.217380      8.125623
  H      -7.691483     -6.490967      4.644812
  H      -8.858117     -5.181892      4.653665
  H      -7.586490     -5.740926      2.131945
  H      -6.928403     -4.123721      1.779409
  H      -8.555604     -4.299068      2.492616
  H      -8.022009     -2.770074      4.180766
  H      -6.694921     -2.963324      5.330602
  H      -6.348915     -2.534891      3.627484
  H      -4.341270     -8.314229      8.994409
  H      -2.984377     -7.189493      9.590387
  H      -3.870779     -7.645918      5.572094
  H      -2.931286     -9.089671      5.938751
  H      -4.546519     -8.885240      6.677954
  H      -1.237852     -6.586789      8.107963
  H      -1.116128     -7.370760      6.534114
  H       0.128701     -5.202588      6.071148
  H      -0.339553     -4.572304      7.658959
  H      -0.716309     -3.652054      6.190589
  H      -4.049152     -4.884722      7.142893
  H      -2.846156     -4.860988      8.452572
  H      -2.865529     -3.534806      7.291036
  N      -4.234033     -2.633403      5.469318
  H      -3.421906     -2.171662      5.876615
  H      -4.728823     -3.090958      6.235647
  H      -4.845556     -1.895037      5.119883
  N      -1.888243     -3.160681      3.857910
  N      -0.942479     -2.525004      3.914205
89
Coordinates from ORCA-job orca E -5532.144532388129
  N      -3.817711     -3.089981      2.075598
  C      -3.650968     -3.954725      0.904240
  C      -2.771373     -5.149031      1.231280
  N      -3.286130     -5.801662      2.455224
  C      -4.564432     -6.519441      2.182506
  C      -5.411837     -6.457454      3.437867
  N      -5.521593     -5.066858      3.882287
  Mo     -3.689030     -4.119917      3.870879
  N      -2.526957     -5.436397      5.126239
  C      -1.566125     -6.075289      4.226858
  C      -2.306012     -6.737394      3.078571
  H      -0.982527     -6.869365      4.728268
  H      -0.814721     -5.360462      3.827890
  H      -2.873636     -7.588896      3.476797
  H      -1.616178     -7.122356      2.307934
  H      -6.383156     -6.929528      3.223214
  H      -4.945809     -7.075885      4.225362
  H      -5.092257     -6.002328      1.372003
  H      -4.349236     -7.552161      1.853922
  H      -3.186014     -3.433257      0.052841
  H      -4.635424     -4.306178      0.530501
  H      -1.748141     -4.809883      1.444624
  H      -2.740919     -5.867948      0.388889
  C      -2.451328      0.970509     -0.041920
  C      -2.049330      0.190170      0.973186
  C      -1.176005      0.729604      2.072517
  C      -2.399437     -1.278062      1.046726
  C      -3.778956     -1.651527      1.720012
  C      -4.922501     -1.338762      0.733034
  C      -4.007324     -0.778398      2.952267
  C      -6.522740     -5.799624      6.962729
  C      -7.574655     -5.238831      6.346309
  C      -8.570228     -4.396974      7.099754
  C      -7.829212     -5.430318      4.870630
  C      -6.918995     -4.592711      3.900784
  C      -7.531263     -4.688769      2.481999
  C      -7.003087     -3.121599      4.304654
  C      -3.455862     -7.736258      8.766109
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  C      -3.618107     -8.373646      6.373656
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  H      -2.192357      2.030997     -0.081985
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  H      -3.974222      0.280651      2.663046
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  H      -8.875834     -5.167366      4.648703
  H      -7.581440     -5.724401      2.118505
  H      -6.919700     -4.103435      1.779537
  H      -8.555546     -4.285273      2.474475
  H      -8.036924     -2.765007      4.196074
  H      -6.710466     -2.972277      5.349117
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  H      -4.328623     -8.352352      8.999001
  H      -2.980765     -7.210279      9.597054
  H      -3.865237     -7.660872      5.574672
  H      -2.910491     -9.098707      5.939768
  H      -4.526087     -8.908355      6.680563
  H      -1.231944     -6.590669      8.107982
  H      -1.109486     -7.364159      6.529985
  H       0.122216     -5.178561      6.065957
  H      -0.339661     -4.568475      7.669089
  H      -0.732042     -3.626521      6.213666
  H      -4.055544     -4.896223      7.182961
  H      -2.844188     -4.864795      8.476308
  H      -2.884983     -3.532620      7.323517
  N      -4.240630     -2.606226      5.462912
  H      -3.423196     -2.132750      5.854449
  H      -4.725038     -3.061251      6.238950
  H      -4.862407     -1.875619      5.113955
  N      -1.890188     -3.156436      3.865253
  N      -0.945892     -2.523380      3.927323
89
Coordinates from ORCA-job orca E -5532.143984199474
  N      -3.832767     -3.083591      2.082958
  C      -3.667347     -3.951581      0.912441
  C      -2.780937     -5.144067      1.238482
  N      -3.290349     -5.797505      2.462984
  C      -4.565128     -6.522071      2.189581
  C      -5.419295     -6.458156      3.440059
  N      -5.533784     -5.067556      3.883245
  Mo     -3.699356     -4.120238      3.873071
  N      -2.535606     -5.419320      5.132188
  C      -1.573648     -6.057117      4.233583
  C      -2.307229     -6.726643      3.089436
  H      -0.990815     -6.846835      4.740729
  H      -0.825735     -5.346551      3.832885
  H      -2.871236     -7.576262      3.491744
  H      -1.616858     -7.114216      2.321026
  H      -6.389254     -6.931407      3.219785
  H      -4.957261     -7.074484      4.232406
  H      -5.093516     -6.010749      1.376015
  H      -4.343902     -7.554810      1.865228
  H      -3.203420     -3.431671      0.059843
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  H      -1.757973     -4.802405      1.448895
  H      -2.751718     -5.863466      0.396460
  C      -2.458073      0.973898     -0.028592
  C      -2.042078      0.175584      0.972385
  C      -1.134262      0.688857      2.062714
  C      -2.411447     -1.287912      1.038167
  C      -3.788618     -1.647080      1.727465
  C      -4.936351     -1.326367      0.748951
  C      -4.002132     -0.773055      2.962748
  C      -6.568337     -5.850274      6.951363
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  C      -7.852103     -5.430578      4.841125
  C      -6.925828     -4.590196      3.891945
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  C      -7.001325     -3.122985      4.316262
  C      -3.418935     -7.710765      8.778117
  C      -2.957238     -7.621472      7.523533
  C      -3.580285     -8.384662      6.390746
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  H      -2.183956      2.031014     -0.062299
  H      -3.077967      0.595712     -0.849351
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  H      -4.849447     -1.899479     -0.183191
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  H      -3.955523      0.285890      2.675680
  H      -5.869521     -6.492611      6.418403
  H      -6.390382     -5.711194      8.021812
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  H      -8.661247     -3.390499      6.622144
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  H      -7.759196     -6.496678      4.568612
  H      -8.891072     -5.145826      4.608764
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  H      -6.898310     -4.078037      1.777632
  H      -8.540927     -4.263067      2.446500
  H      -8.035003     -2.758910      4.216129
  H      -6.701612     -2.992035      5.367922
  H      -6.360596     -2.513785      3.662670
  H      -4.281354     -8.325867      9.015652
  H      -2.948280     -7.166037      9.599902
  H      -3.840154     -7.680016      5.588393
  H      -2.858070     -9.102659      5.960824
  H      -4.482708     -8.931476      6.700640
  H      -1.214716     -6.567848      8.113059
  H      -1.093686     -7.346119      6.539251
  H       0.098632     -5.165621      6.039437
  H      -0.337853     -4.573615      7.651870
  H      -0.761303     -3.617200      6.203739
  H      -4.040610     -4.914707      7.209928
  H      -2.804844     -4.853944      8.473991
  H      -2.905448     -3.534666      7.299695
  N      -4.241351     -2.606261      5.468932
  H      -3.419880     -2.115111      5.841129
  H      -4.704726     -3.068211      6.258906
  H      -4.883993     -1.888304      5.129196
  N      -1.898341     -3.164722      3.855825
  N      -0.945522     -2.537760      3.907706
89
Coordinates from ORCA-job orca E -5532.144482994317
  N      -3.821961     -3.084956      2.072539
  C      -3.655737     -3.954160      0.903490
  C      -2.774734     -5.148314      1.233946
  N      -3.288357     -5.798034      2.459778
  C      -4.565389     -6.519671      2.189795
  C      -5.414359     -6.454262      3.444758
  N      -5.525712     -5.063644      3.887721
  Mo     -3.693392     -4.113648      3.868094
  N      -2.533057     -5.421172      5.130738
  C      -1.570549     -6.064078      4.236031
  C      -2.308130     -6.730422      3.089085
  H      -0.989899     -6.855103      4.743432
  H      -0.817349     -5.356465      3.836456
  H      -2.876823     -7.578804      3.490551
  H      -1.616785     -7.119868      2.321348
  H      -6.385653     -6.927052      3.229832
  H      -4.948743     -7.071210      4.233777
  H      -5.093953     -6.008686      1.375955
  H      -4.348104     -7.553678      1.867328
  H      -3.189819     -3.435750      0.050896
  H      -4.640282     -4.306021      0.530556
  H      -1.751839     -4.808421      1.446220
  H      -2.744609     -5.869928      0.393854
  C      -2.456828      0.977787     -0.038258
  C      -2.042950      0.184417      0.964827
  C      -1.148290      0.707426      2.056924
  C      -2.402838     -1.281212      1.030946
  C      -3.780850     -1.648083      1.714006
  C      -4.926370     -1.331792      0.730874
  C      -4.000302     -0.773312      2.946638
  C      -6.546105     -5.820502      6.965320
  C      -7.586911     -5.249387      6.343426
  C      -8.576173     -4.401636      7.090189
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  C      -6.922823     -4.590321      3.906148
  C      -7.531188     -4.675352      2.483640
  C      -7.005260     -3.122447      4.323218
  C      -3.451600     -7.747883      8.757700
  C      -2.973747     -7.642938      7.507006
  C      -3.585725     -8.400817      6.365213
  C      -1.782526     -6.779103      7.182583
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  H      -2.190951      2.037096     -0.073048
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  H      -5.893399     -1.577758      1.190094
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  H      -5.839325     -6.453032      6.432032
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  H      -9.582359     -4.852217      7.050637
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  H      -8.294733     -4.280730      8.141813
  H      -7.730974     -6.494542      4.603771
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  H      -6.916546     -4.084647      1.787559
  H      -8.554944     -4.271771      2.475671
  H      -8.039912     -2.764505      4.222331
  H      -6.707400     -2.984243      5.370001
  H      -6.366959     -2.513422      3.668501
  H      -4.317678     -8.378181      8.986152
  H      -2.989420     -7.210198      9.591188
  H      -3.842959     -7.691131      5.565625
  H      -2.857729     -9.113960      5.933956
  H      -4.489030     -8.954724      6.666377
  H      -1.234214     -6.573434      8.114426
  H      -1.088966     -7.346989      6.536421
  H       0.112418     -5.150000      6.066855
  H      -0.349720     -4.558022      7.676897
  H      -0.754280     -3.604718      6.230333
  H      -4.067569     -4.910777      7.191594
  H      -2.854155     -4.867618      8.482088
  H      -2.914593     -3.533424      7.332325
  N      -4.232611     -2.591365      5.457990
  H      -3.408446     -2.108948      5.833273
  H      -4.703073     -3.045601      6.246693
  H      -4.865557     -1.866991      5.112765
  N      -1.888121     -3.163357      3.858849
  N      -0.935393     -2.536808      3.914119
89
Coordinates from ORCA-job orca E -5532.143810094069
  N      -3.810302     -3.095568      2.082707
  C      -3.645297     -3.958104      0.909083
  C      -2.766748     -5.153576      1.233488
  N      -3.280679     -5.806980      2.457667
  C      -4.562051     -6.520663      2.183425
  C      -5.409960     -6.455362      3.437814
  N      -5.518357     -5.064283      3.883079
  Mo     -3.683480     -4.125181      3.878075
  N      -2.519573     -5.448017      5.123542
  C      -1.559194     -6.085852      4.226464
  C      -2.299898     -6.744661      3.076390
  H      -0.977050     -6.881168      4.727743
  H      -0.809293     -5.368796      3.829073
  H      -2.865607     -7.598344      3.472443
  H      -1.611666     -7.124962      2.303596
  H      -6.381794     -6.927027      3.225325
  H      -4.942808     -7.073058      4.224865
  H      -5.085658     -6.001741      1.371342
  H      -4.350581     -7.554366      1.855714
  H      -3.181704     -3.434440      0.058433
  H      -4.629999     -4.308923      0.535717
  H      -1.743423     -4.813994      1.445764
  H      -2.736949     -5.871277      0.390369
  C      -2.456886      0.955582     -0.059266
  C      -2.065069      0.194296      0.970776
  C      -1.215188      0.757694      2.072717
  C      -2.399674     -1.276415      1.059290
  C      -3.777619     -1.656373      1.727211
  C      -4.921187     -1.349890      0.739538
  C      -4.010513     -0.783164      2.957466
  C      -6.504565     -5.803694      6.956004
  C      -7.557126     -5.223108      6.351367
  C      -8.539497     -4.370415      7.123150
  C      -7.825864     -5.410290      4.875261
  C      -6.913980     -4.586119      3.897401
  C      -7.528289     -4.698659      2.483245
  C      -6.992407     -3.111523      4.278265
  C      -3.482991     -7.735959      8.747368
  C      -2.999685     -7.630916      7.498026
  C      -3.616585     -8.365961      6.350955
  C      -1.798525     -6.793923      7.181366
  C      -2.030557     -5.373597      6.524598
  C      -0.664486     -4.648421      6.630835
  C      -3.028751     -4.625287      7.412787
  H      -2.208653      2.017937     -0.109667
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  H      -1.042886      1.833500      1.944716
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  H      -5.807381     -6.441505      6.404434
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  H      -8.251941     -4.271196      8.186060
  H      -7.721876     -6.473730      4.616419
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  H      -7.581663     -5.737589      2.135320
  H      -6.916284     -4.126452      1.773346
  H      -8.551497     -4.292179      2.471557
  H      -8.023605     -2.756438      4.160306
  H      -6.700386     -2.943234      5.315422
  H      -6.347667     -2.521235      3.616199
  H      -4.358392     -8.345118      8.966499
  H      -3.019020     -7.216203      9.586208
  H      -3.857469     -7.654243      5.549442
  H      -2.910088     -9.087981      5.923407
  H      -4.522661     -8.898810      6.649169
  H      -1.254976     -6.599069      8.119683
  H      -1.115950     -7.371948      6.542520
  H       0.123388     -5.186104      6.090227
  H      -0.351759     -4.564725      7.683319
  H      -0.724390     -3.639944      6.217140
  H      -4.063365     -4.900969      7.160307
  H      -2.867423     -4.876862      8.471830
  H      -2.887397     -3.543327      7.325445
  N      -4.235181     -2.617354      5.478695
  H      -3.422922     -2.164418      5.887925
  H      -4.736825     -3.069138      6.239152
  H      -4.837125     -1.873635      5.126986
  N      -1.890753     -3.150249      3.866908
  N      -0.956243     -2.511806      3.928582
89
Coordinates from ORCA-job orca E -5532.144620606845
  N      -3.817603     -3.087529      2.079804
  C      -3.651642     -3.953374      0.908636
  C      -2.769932     -5.146849      1.235782
  N      -3.282833     -5.799661      2.460161
  C      -4.560746     -6.519160      2.187408
  C      -5.409711     -6.455222      3.441893
  N      -5.521762     -5.064836      3.886066
  Mo     -3.688614     -4.118541      3.874858
  N      -2.529466     -5.433593      5.130221
  C      -1.565107     -6.070624      4.233248
  C      -2.301182     -6.733718      3.083291
  H      -0.982858     -6.863773      4.736821
  H      -0.813863     -5.356195      3.836649
  H      -2.867322     -7.586395      3.480345
  H      -1.609649     -7.116541      2.312784
  H      -6.380390     -6.929142      3.227676
  H      -4.942417     -7.071993      4.229941
  H      -5.087633     -6.005524      1.374204
  H      -4.344837     -7.552758      1.862538
  H      -3.187596     -3.431920      0.056981
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  H      -1.747238     -4.805841      1.448558
  H      -2.739059     -5.866293      0.393915
  C      -2.463330      0.967360     -0.052503
  C      -2.053902      0.188761      0.962295
  C      -1.171344      0.729855      2.055129
  C      -2.403436     -1.278762      1.041374
  C      -3.780526     -1.649896      1.722627
  C      -4.928062     -1.337714      0.740404
  C      -4.002154     -0.775267      2.955187
  C      -6.533755     -5.814254      6.965083
  C      -7.576483     -5.239264      6.345357
  C      -8.561663     -4.384317      7.096049
  C      -7.831172     -5.427100      4.869502
  C      -6.918377     -4.590042      3.902776
  C      -7.528229     -4.683482      2.482307
  C      -7.000136     -3.118920      4.309010
  C      -3.466116     -7.743927      8.753959
  C      -2.985480     -7.639864      7.504676
  C      -3.599250     -8.389032      6.361465
  C      -1.789867     -6.786658      7.184061
  C      -2.034252     -5.367324      6.529632
  C      -0.674291     -4.638626      6.627160
  C      -3.030115     -4.625486      7.421217
  H      -2.204301      2.027555     -0.095968
  H      -3.061729      0.568393     -0.874834
  H      -1.598689      0.548472      3.052925
  H      -0.992931      1.807181      1.937759
  H      -0.198652      0.210748      2.046872
  H      -1.613041     -1.805123      1.592688
  H      -2.415068     -1.682992      0.019356
  H      -4.923705     -0.270461      0.473809
  H      -5.895322     -1.579078      1.208678
  H      -4.839752     -1.918178     -0.189875
  H      -5.000811     -0.964744      3.373236
  H      -3.240699     -0.942892      3.724648
  H      -3.970811      0.283375      2.663903
  H      -5.831295     -6.452861      6.429478
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  H      -9.570069     -4.829236      7.052315
  H      -8.650251     -3.382097      6.645507
  H      -8.279814     -4.269671      8.152282
  H      -7.723350     -6.490300      4.608441
  H      -8.876339     -5.159420      4.645750
  H      -7.578426     -5.718666      2.116594
  H      -6.915130     -4.097395      1.781890
  H      -8.551919     -4.279479      2.474010
  H      -8.033627     -2.759912      4.202308
  H      -6.704667     -2.970938      5.353892
  H      -6.358759     -2.516656      3.651686
  H      -4.335841     -8.366838      8.979371
  H      -3.004173     -7.211761      9.588006
  H      -3.850184     -7.678369      5.560944
  H      -2.879009     -9.104827      5.931082
  H      -4.503408     -8.935811      6.661847
  H      -1.243526     -6.585517      8.117788
  H      -1.101171     -7.358204      6.541281
  H       0.113577     -5.169314      6.073204
  H      -0.352233     -4.565754      7.676484
  H      -0.748646     -3.621558      6.221791
  H      -4.063364     -4.909003      7.181930
  H      -2.853239     -4.873800      8.477221
  H      -2.904103     -3.540542      7.323938
  N      -4.237704     -2.603353      5.467251
  H      -3.418284     -2.137030      5.863017
  H      -4.728978     -3.056419      6.240152
  H      -4.851762     -1.867458      5.115505
  N      -1.886994     -3.162301      3.864438
  N      -0.933331     -2.537573      3.918471
89
Coordinates from ORCA-job orca E -5532.144510505267
  N      -3.818230     -3.086020      2.075435
  C      -3.655781     -3.956467      0.906801
  C      -2.775449     -5.150823      1.236921
  N      -3.288353     -5.798994      2.464082
  C      -4.567040     -6.518732      2.194256
  C      -5.416915     -6.450243      3.447617
  N      -5.526505     -5.058685      3.889278
  Mo     -3.691719     -4.114884      3.872644
  N      -2.531189     -5.422567      5.129098
  C      -1.569364     -6.067676      4.237899
  C      -2.308097     -6.732697      3.091442
  H      -0.991789     -6.859504      4.747756
  H      -0.815076     -5.361832      3.839269
  H      -2.876622     -7.580213      3.494113
  H      -1.619294     -7.122276      2.322647
  H      -6.388985     -6.921699      3.232762
  H      -4.952972     -7.066317      4.238472
  H      -5.093800     -6.007277      1.379687
  H      -4.351091     -7.553288      1.872954
  H      -3.190888     -3.439788      0.052385
  H      -4.641325     -4.307528      0.536142
  H      -1.752162     -4.811252      1.447675
  H      -2.746684     -5.873088      0.397463
  C      -2.457440      0.970425     -0.048694
  C      -2.045119      0.184166      0.960027
  C      -1.154333      0.715352      2.050024
  C      -2.401035     -1.282385      1.035509
  C      -3.779345     -1.649553      1.715071
  C      -4.923955     -1.335645      0.731219
  C      -4.000038     -0.772690      2.945277
  C      -6.544471     -5.843729      6.959992
  C      -7.581927     -5.254192      6.344928
  C      -8.559254     -4.398348      7.102088
  C      -7.837865     -5.426012      4.866967
  C      -6.922404     -4.583754      3.906530
  C      -7.529346     -4.669876      2.484101
  C      -7.003355     -3.115372      4.322329
  C      -3.462313     -7.743877      8.745644
  C      -2.974791     -7.641333      7.498542
  C      -3.570113     -8.406903      6.352565
  C      -1.786542     -6.776158      7.185652
  C      -2.039618     -5.358522      6.530895
  C      -0.683811     -4.623449      6.633548
  C      -3.045189     -4.624799      7.423221
  H      -2.193925      2.030481     -0.089171
  H      -3.063653      0.578728     -0.868009
  H      -1.576882      0.527166      3.048275
  H      -0.972557      1.793598      1.938017
  H      -0.183252      0.193826      2.033544
  H      -1.612685     -1.814579      1.584555
  H      -2.415760     -1.683494      0.013422
  H      -4.928152     -0.269718      0.473085
  H      -5.889330     -1.584156      1.187365
  H      -4.825780     -1.904764     -0.197004
  H      -5.000730     -0.955801      3.359963
  H      -3.241739     -0.947296      3.715835
  H      -3.959725      0.285848      2.654283
  H      -5.847397     -6.483637      6.419201
  H      -6.362482     -5.709090      8.028821
  H      -9.570688     -4.835975      7.060395
  H      -8.643258     -3.395579      6.656662
  H      -8.273996     -4.290675      8.156131
  H      -7.735453     -6.487282      4.597239
  H      -8.882073     -5.152093      4.645303
  H      -7.580535     -5.703453      2.114231
  H      -6.912517     -4.081842      1.788394
  H      -8.551996     -4.264539      2.473668
  H      -8.037947     -2.757206      4.221385
  H      -6.704767     -2.976341      5.368351
  H      -6.364964     -2.506271      3.667403
  H      -4.325849     -8.372184      8.965180
  H      -3.011476     -7.200878      9.581875
  H      -3.829869     -7.702573      5.549875
  H      -2.832342     -9.112973      5.928731
  H      -4.468884     -8.968847      6.647093
  H      -1.246884     -6.568545      8.123579
  H      -1.087275     -7.342038      6.547297
  H       0.103751     -5.147397      6.074922
  H      -0.360209     -4.557209      7.685283
  H      -0.762074     -3.604396      6.235824
  H      -4.076079     -4.915868      7.178446
  H      -2.874138     -4.877653      8.477779
  H      -2.929395     -3.535388      7.336700
  N      -4.228076     -2.587516      5.461923
  H      -3.401041     -2.111586      5.838157
  H      -4.702950     -3.038010      6.250121
  H      -4.854537     -1.859146      5.115146
  N      -1.890842     -3.159830      3.857987
  N      -0.952772     -2.524298      3.918813
89
Coordinates from ORCA-job orca E -5532.144662198105
  N      -3.818005     -3.085490      2.078428
  C      -3.654656     -3.954605      0.908984
  C      -2.773083     -5.148439      1.237650
  N      -3.285162     -5.798618      2.463908
  C      -4.563424     -6.518662      2.193324
  C      -5.413208     -6.451169      3.447151
  N      -5.523944     -5.060079      3.889800
  Mo     -3.689888     -4.115265      3.874075
  N      -2.531012     -5.426182      5.131466
  C      -1.566906     -6.067062      4.238132
  C      -2.303499     -6.731668      3.089406
  H      -0.987045     -6.859157      4.745310
  H      -0.814159     -5.356871      3.840743
  H      -2.870255     -7.582350      3.488924
  H      -1.612763     -7.117144      2.319895
  H      -6.384682     -6.923662      3.232441
  H      -4.947866     -7.067486      4.236916
  H      -5.089942     -6.007326      1.378412
  H      -4.347684     -7.553292      1.871761
  H      -3.190796     -3.435885      0.055499
  H      -4.639831     -4.306942      0.538019
  H      -1.750101     -4.807576      1.448704
  H      -2.743537     -5.869707      0.397469
  C      -2.461894      0.967512     -0.055354
  C      -2.050277      0.185508      0.956471
  C      -1.162908      0.722095      2.047244
  C      -2.403288     -1.281158      1.034753
  C      -3.779992     -1.648937      1.718308
  C      -4.927705     -1.336899      0.736747
  C      -3.998757     -0.771826      2.949349
  C      -6.544293     -5.835523      6.964519
  C      -7.579873     -5.246195      6.346562
  C      -8.557503     -4.387355      7.101137
  C      -7.835563     -5.423212      4.869431
  C      -6.919850     -4.584899      3.906478
  C      -7.527688     -4.675604      2.485126
  C      -6.998928     -3.115450      4.315858
  C      -3.468323     -7.750055      8.742337
  C      -2.978237     -7.645592      7.496869
  C      -3.573743     -8.405216      6.349071
  C      -1.788586     -6.781667      7.185946
  C      -2.040133     -5.362235      6.533040
  C      -0.684261     -4.625660      6.636858
  C      -3.045295     -4.629045      7.425036
  H      -2.200500      2.027376     -0.097791
  H      -3.064959      0.571852     -0.875749
  H      -1.586822      0.537858      3.045850
  H      -0.983105      1.799734      1.932274
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  H      -1.613218     -1.810731      1.583803
  H      -2.418719     -1.684304      0.012351
  H      -4.923224     -0.270306      0.469177
  H      -5.894438     -1.577122      1.205121
  H      -4.839885     -1.917781     -0.192614
  H      -4.998165     -0.956921      3.367164
  H      -3.238314     -0.942678      3.718861
  H      -3.962633      0.286174      2.657266
  H      -5.847985     -6.478490      6.426895
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  H      -9.569672     -4.824133      7.056441
  H      -8.638530     -3.383010      6.655412
  H      -8.274109     -4.279886      8.157062
  H      -7.733562     -6.485523      4.602826
  H      -8.879767     -5.149698      4.646546
  H      -7.579002     -5.710035      2.118706
  H      -6.911842     -4.090075      1.787015
  H      -8.550477     -4.270423      2.474695
  H      -8.032403     -2.756756      4.212377
  H      -6.700033     -2.970674      5.360365
  H      -6.359242     -2.511343      3.658852
  H      -4.333448     -8.378787      8.960529
  H      -3.018560     -7.210800      9.579889
  H      -3.830820     -7.698696      5.547038
  H      -2.839217     -9.111474      5.924115
  H      -4.472849     -8.964681      6.642815
  H      -1.250863     -6.576590      8.124323
  H      -1.089664     -7.346985      6.547416
  H       0.106137     -5.149140      6.081176
  H      -0.363569     -4.556626      7.687802
  H      -0.762526     -3.608166      6.237017
  H      -4.076381     -4.918348      7.179050
  H      -2.873571     -4.880723      8.480209
  H      -2.926416     -3.542534      7.336249
  N      -4.230055     -2.592215      5.464927
  H      -3.405451     -2.122529      5.850195
  H      -4.713360     -3.042836      6.246324
  H      -4.849312     -1.859129      5.115147
  N      -1.885792     -3.162421      3.860040
  N      -0.934625     -2.536167      3.911471
89
Coordinates from ORCA-job orca E -5532.144664570929
  N      -3.815366     -3.086246      2.080375
  C      -3.652601     -3.954685      0.910657
  C      -2.771336     -5.148054      1.238610
  N      -3.282712     -5.798772      2.464848
  C      -4.561109     -6.518759      2.194590
  C      -5.410446     -6.451246      3.448663
  N      -5.521807     -5.060144      3.890769
  Mo     -3.687654     -4.115932      3.877528
  N      -2.530768     -5.430124      5.132337
  C      -1.564775     -6.067815      4.237828
  C      -2.299851     -6.731746      3.087932
  H      -0.983498     -6.860549      4.743143
  H      -0.813009     -5.354215      3.841902
  H      -2.865009     -7.584438      3.485360
  H      -1.608410     -7.114296      2.317511
  H      -6.381449     -6.924791      3.234866
  H      -4.943969     -7.066787      4.238204
  H      -5.087725     -6.007578      1.379704
  H      -4.345672     -7.553460      1.873059
  H      -3.189492     -3.435548      0.056972
  H      -4.637820     -4.307207      0.539983
  H      -1.748341     -4.807142      1.449391
  H      -2.741979     -5.868979      0.398074
  C      -2.465797      0.964057     -0.061874
  C      -2.053518      0.187576      0.953207
  C      -1.167997      0.731124      2.041874
  C      -2.402389     -1.279736      1.036769
  C      -3.778664     -1.649338      1.720035
  C      -4.927353     -1.338599      0.739218
  C      -3.997966     -0.772071      2.950811
  C      -6.543475     -5.835239      6.966967
  C      -7.577703     -5.244256      6.347907
  C      -8.552884     -4.380380      7.101204
  C      -7.832595     -5.423577      4.871019
  C      -6.918028     -4.584700      3.907506
  C      -7.526627     -4.675187      2.486349
  C      -6.999125     -3.114131      4.316583
  C      -3.476720     -7.753868      8.739228
  C      -2.982787     -7.646918      7.494851
  C      -3.576761     -8.404549      6.346675
  C      -1.791337     -6.783351      7.186934
  C      -2.040984     -5.364768      6.533124
  C      -0.685830     -4.629209      6.636195
  C      -3.045220     -4.631363      7.422103
  H      -2.207263      2.024424     -0.108106
  H      -3.066208      0.563294     -0.881357
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  H      -0.993080      1.809138      1.923861
  H      -0.193682      0.215104      2.029294
  H      -1.611567     -1.804519      1.588651
  H      -2.414857     -1.686709      0.016384
  H      -4.927753     -0.272621      0.473821
  H      -5.892726     -1.582437      1.204745
  H      -4.836719     -1.916051     -0.188807
  H      -4.996016     -0.960220      3.370423
  H      -3.235174     -0.938774      3.719064
  H      -3.966853      0.286019      2.657624
  H      -5.848607     -6.481703      6.430543
  H      -6.362916     -5.696741      8.035979
  H      -9.566456     -4.813234      7.055103
  H      -8.629427     -3.375085      6.655169
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  H      -7.727920     -6.486129      4.605166
  H      -8.877026     -5.151882      4.648052
  H      -7.576833     -5.709930      2.118998
  H      -6.912412     -4.088192      1.787539
  H      -8.550193     -4.270726      2.477767
  H      -8.033128     -2.754808      4.212746
  H      -6.701568     -2.968115      5.361003
  H      -6.358952     -2.509972      3.659080
  H      -4.342447     -8.387619      8.957123
  H      -3.029676     -7.215701      9.577935
  H      -3.832618     -7.697751      5.544094
  H      -2.843286     -9.110075      5.922531
  H      -4.475552     -8.963707      6.639753
  H      -1.255570     -6.578954      8.126357
  H      -1.091644     -7.348664      6.550493
  H       0.105664     -5.153816      6.081653
  H      -0.366007     -4.558510      7.686361
  H      -0.765049     -3.610961      6.233694
  H      -4.075587     -4.918434      7.174717
  H      -2.873829     -4.884801      8.477889
  H      -2.925456     -3.544713      7.331889
  N      -4.232503     -2.595287      5.468195
  H      -3.410339     -2.132219      5.862120
  H      -4.725270     -3.044286      6.242498
  H      -4.843213     -1.857287      5.114675
  N      -1.884626     -3.163390      3.862449
  N      -0.931202     -2.540117      3.912917
89
Coordinates from ORCA-job orca E -5532.144698048575
  N      -3.815139     -3.084949      2.081223
  C      -3.653445     -3.954179      0.911880
  C      -2.771423     -5.147201      1.239756
  N      -3.282271     -5.797686      2.466406
  C      -4.560655     -6.517940      2.196609
  C      -5.410492     -6.449607      3.450361
  N      -5.521882     -5.058324      3.891923
  Mo     -3.687439     -4.114840      3.878188
  N      -2.530934     -5.428331      5.133703
  C      -1.564436     -6.066830      4.240674
  C      -2.299111     -6.730444      3.089808
  H      -0.984459     -6.859616      4.747105
  H      -0.811508     -5.354178      3.845542
  H      -2.864583     -7.583430      3.487006
  H      -1.607312     -7.112644      2.319277
  H      -6.381521     -6.923024      3.236216
  H      -4.944537     -7.064814      4.240558
  H      -5.087113     -6.007554      1.381121
  H      -4.345104     -7.552899      1.876116
  H      -3.191118     -3.435553      0.057542
  H      -4.638986     -4.307156      0.542315
  H      -1.748423     -4.805826      1.450143
  H      -2.742108     -5.868447      0.399498
  C      -2.468471      0.962876     -0.066543
  C      -2.053470      0.186417      0.948031
  C      -1.164072      0.729635      2.034149
  C      -2.403149     -1.280603      1.033774
  C      -3.778688     -1.648523      1.719826
  C      -4.928985     -1.338622      0.740399
  C      -3.995655     -0.770067      2.950317
  C      -6.547736     -5.842982      6.967382
  C      -7.578249     -5.245427      6.348660
  C      -8.548797     -4.377301      7.102433
  C      -7.833284     -5.421910      4.871694
  C      -6.918093     -4.582623      3.908793
  C      -7.526421     -4.672000      2.487238
  C      -6.998174     -3.112331      4.319005
  C      -3.480527     -7.759003      8.732910
  C      -2.981085     -7.652087      7.491099
  C      -3.565552     -8.413955      6.339800
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  H      -2.209279      2.023007     -0.113943
  H      -3.071970      0.562272     -0.884233
  H      -1.583066      0.545745      3.035087
  H      -0.989559      1.807727      1.916139
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  H      -1.611660     -1.805405      1.585316
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  H      -5.894408     -1.578585      1.211237
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  H      -3.232561     -0.937616      3.718105
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  H      -5.856787     -6.493274      6.430998
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  H      -8.264600     -4.271940      8.158333
  H      -7.729649     -6.484030      4.604744
  H      -8.877574     -5.149146      4.649010
  H      -7.576740     -5.706560      2.119281
  H      -6.911719     -4.084721      1.788945
  H      -8.549976     -4.267367      2.478546
  H      -8.031774     -2.752308      4.215726
  H      -6.700065     -2.967314      5.363496
  H      -6.357857     -2.508175      3.662085
  H      -4.344695     -8.392612      8.945278
  H      -3.039973     -7.217359      9.573130
  H      -3.823866     -7.708308      5.536756
  H      -2.824750     -9.114145      5.917318
  H      -4.461721     -8.980542      6.629047
  H      -1.261029     -6.576475      8.130750
  H      -1.086633     -7.344793      6.555038
  H       0.102777     -5.146263      6.088126
  H      -0.372472     -4.555070      7.693961
  H      -0.771665     -3.605978      6.242151
  H      -4.082071     -4.924000      7.174012
  H      -2.883501     -4.888535      8.479629
  H      -2.936442     -3.547187      7.337406
  N      -4.231245     -2.592088      5.468256
  H      -3.407605     -2.129846      5.861051
  H      -4.723671     -3.040605      6.243559
  H      -4.841559     -1.853739      5.114691
  N      -1.883808     -3.163279      3.862539
  N      -0.931834     -2.538924      3.910731
89
Coordinates from ORCA-job orca E -5532.144717921135
  N      -3.814301     -3.081400      2.081535
  C      -3.655967     -3.954342      0.914044
  C      -2.773159     -5.147204      1.243004
  N      -3.282434     -5.795910      2.471431
  C      -4.561091     -6.516792      2.204322
  C      -5.411082     -6.444564      3.457861
  N      -5.522013     -5.052454      3.896482
  Mo     -3.686836     -4.110362      3.878617
  N      -2.534274     -5.423216      5.137275
  C      -1.565692     -6.063665      4.248661
  C      -2.298399     -6.727407      3.096336
  H      -0.988559     -6.855821      4.758411
  H      -0.810740     -5.354332      3.855305
  H      -2.863331     -7.580568      3.492879
  H      -1.605357     -7.108811      2.326804
  H      -6.382475     -6.917869      3.244381
  H      -4.945573     -7.058073      4.249653
  H      -5.087417     -6.009409      1.386804
  H      -4.346006     -7.553062      1.887813
  H      -3.195209     -3.438497      0.057146
  H      -4.642549     -4.307827      0.547849
  H      -1.750028     -4.805226      1.451746
  H      -2.744610     -5.870087      0.404101
  C      -2.471836      0.960452     -0.077960
  C      -2.054076      0.185798      0.936831
  C      -1.162418      0.731395      2.019128
  C      -2.403692     -1.280897      1.027147
  C      -3.777881     -1.646128      1.716603
  C      -4.929759     -1.337137      0.739466
  C      -3.990768     -0.764414      2.945298
  C      -6.553269     -5.866392      6.967988
  C      -7.574385     -5.248508      6.352825
  C      -8.531755     -4.370724      7.113555
  C      -7.834508     -5.414342      4.874912
  C      -6.917596     -4.577195      3.912401
  C      -7.524920     -4.669967      2.491105
  C      -6.994114     -3.107642      4.318977
  C      -3.493456     -7.771990      8.714347
  C      -2.979286     -7.662836      7.478972
  C      -3.538956     -8.433566      6.321098
  C      -1.796064     -6.781576      7.191917
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  C      -3.075584     -4.643533      7.430074
  H      -2.212882      2.020549     -0.127882
  H      -3.077607      0.558542     -0.892895
  H      -1.577271      0.547098      3.021302
  H      -0.990385      1.809875      1.899951
  H      -0.187669      0.217083      1.999256
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  H      -2.420272     -1.692008      0.008168
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  H      -5.893851     -1.575900      1.211818
  H      -4.845570     -1.920337     -0.187278
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  H      -3.226612     -0.931989      3.712450
  H      -3.956272      0.292484      2.648681
  H      -5.872763     -6.526064      6.428428
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  H      -9.553119     -4.785296      7.070206
  H      -8.592749     -3.362971      6.672964
  H      -8.243316     -4.274422      8.169278
  H      -7.738393     -6.475371      4.602278
  H      -8.878208     -5.134323      4.655732
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  H      -6.907762     -4.087241      1.792517
  H      -8.547061     -4.263879      2.479156
  H      -8.027675     -2.748597      4.217992
  H      -6.690928     -2.960092      5.361919
  H      -6.355548     -2.505708      3.659228
  H      -4.352943     -8.411301      8.915726
  H      -3.069765     -7.224434      9.559372
  H      -3.802212     -7.733000      5.516010
  H      -2.781124     -9.120411      5.905697
  H      -4.427978     -9.015737      6.600461
  H      -1.278036     -6.573276      8.140245
  H      -1.078379     -7.335154      6.563943
  H       0.091508     -5.128265      6.106164
  H      -0.392281     -4.548025      7.713222
  H      -0.790055     -3.596492      6.263777
  H      -4.101965     -4.939231      7.169937
  H      -2.913039     -4.902183      8.484944
  H      -2.965970     -3.555356      7.353545
  N      -4.224157     -2.580504      5.465704
  H      -3.395309     -2.119962      5.853995
  H      -4.716710     -3.024757      6.245258
  H      -4.832586     -1.841223      5.109988
  N      -1.878290     -3.166584      3.859546
  N      -0.922668     -2.544805      3.898619
89
Coordinates from ORCA-job orca E -5532.144759216917
  N      -3.812690     -3.079178      2.084706
  C      -3.658720     -3.953758      0.917989
  C      -2.774600     -5.145722      1.245748
  N      -3.280894     -5.793871      2.475684
  C      -4.559725     -6.515631      2.211143
  C      -5.409768     -6.440909      3.464553
  N      -5.521121     -5.048233      3.901460
  Mo     -3.685207     -4.107946      3.882641
  N      -2.534740     -5.420321      5.139415
  C      -1.563912     -6.060274      4.253097
  C      -2.294501     -6.723861      3.099360
  H      -0.987568     -6.852404      4.763953
  H      -0.808474     -5.350698      3.861299
  H      -2.857359     -7.578939      3.494506
  H      -1.600743     -7.102370      2.329372
  H      -6.381082     -6.914760      3.251651
  H      -4.944130     -7.052832      4.257554
  H      -5.086323     -6.010441      1.392511
  H      -4.344859     -7.552697      1.897218
  H      -3.200913     -3.439172      0.058833
  H      -4.646496     -4.307994      0.555777
  H      -1.751295     -4.802866      1.452029
  H      -2.747422     -5.869226      0.407509
  C      -2.475698      0.952955     -0.093336
  C      -2.054583      0.183400      0.923982
  C      -1.158853      0.734303      2.000649
  C      -2.403531     -1.282819      1.022994
  C      -3.776249     -1.644695      1.716899
  C      -4.931112     -1.337399      0.742811
  C      -3.984724     -0.759928      2.944344
  C      -6.567105     -5.886747      6.972441
  C      -7.575503     -5.251107      6.355745
  C      -8.519505     -4.359936      7.115760
  C      -7.834587     -5.411137      4.877865
  C      -6.916550     -4.572414      3.917379
  C      -7.523033     -4.663554      2.495593
  C      -6.992609     -3.102562      4.325460
  C      -3.508075     -7.784169      8.695166
  C      -2.977049     -7.672113      7.467173
  C      -3.512649     -8.451534      6.303507
  C      -1.798354     -6.779236      7.195618
  C      -2.062348     -5.360543      6.546533
  C      -0.719132     -4.605062      6.671201
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  H      -2.216920      2.012727     -0.148816
  H      -3.084026      0.547089     -0.904729
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  H      -5.894407     -1.570676      1.222563
  H      -4.853862     -1.927431     -0.182777
  H      -4.981694     -0.940892      3.370353
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  H      -3.950705      0.296162      2.645531
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  H      -9.546929     -4.759277      7.070082
  H      -8.563831     -3.350273      6.677463
  H      -8.231197     -4.270373      8.171931
  H      -7.740311     -6.471648      4.602396
  H      -8.877322     -5.128668      4.658884
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  H      -8.545571     -4.258036      2.484044
  H      -8.025706     -2.742360      4.225635
  H      -6.688922     -2.955478      5.368083
  H      -6.353967     -2.500238      3.666091
  H      -4.363295     -8.436052      8.887395
  H      -3.102667     -7.229963      9.545333
  H      -3.780641     -7.754807      5.496306
  H      -2.739094     -9.125025      5.894734
  H      -4.394470     -9.049433      6.573649
  H      -1.293557     -6.567431      8.150356
  H      -1.068089     -7.325439      6.576362
  H       0.083842     -5.112252      6.118731
  H      -0.409581     -4.539823      7.725732
  H      -0.808496     -3.586374      6.277239
  H      -4.114726     -4.952402      7.163032
  H      -2.933986     -4.915206      8.484964
  H      -2.990589     -3.562575      7.360945
  N      -4.220792     -2.575280      5.469585
  H      -3.390036     -2.121199      5.860354
  H      -4.718395     -3.016924      6.247197
  H      -4.822975     -1.831898      5.112020
  N      -1.876548     -3.165318      3.860124
  N      -0.920528     -2.546751      3.897527
89
Coordinates from ORCA-job orca E -5532.144774123599
  N      -3.809192     -3.077299      2.088469
  C      -3.659880     -3.953141      0.922337
  C      -2.774204     -5.143747      1.248264
  N      -3.277015     -5.792289      2.479546
  C      -4.555676     -6.515303      2.218012
  C      -5.405633     -6.438076      3.471668
  N      -5.518784     -5.044671      3.905072
  Mo     -3.682529     -4.105889      3.887801
  N      -2.536421     -5.421318      5.144472
  C      -1.561316     -6.057775      4.259398
  C      -2.287099     -6.720118      3.100749
  H      -0.984916     -6.850535      4.769671
  H      -0.804981     -5.344418      3.871769
  H      -2.846928     -7.580717      3.490257
  H      -1.589673     -7.091353      2.329698
  H      -6.376122     -6.914231      3.260249
  H      -4.938482     -7.047244      4.266034
  H      -5.082896     -6.012815      1.398101
  H      -4.341030     -7.553298      1.907007
  H      -3.206133     -3.439324      0.060597
  H      -4.648834     -4.308813      0.564830
  H      -1.750755     -4.799785      1.452109
  H      -2.748197     -5.867359      0.410026
  C      -2.486199      0.945452     -0.112098
  C      -2.057917      0.183752      0.908488
  C      -1.156305      0.743807      1.976307
  C      -2.402534     -1.282565      1.019488
  C      -3.773395     -1.643047      1.718227
  C      -4.932582     -1.337356      0.747963
  C      -3.977769     -0.756053      2.945008
  C      -6.573375     -5.905424      6.973414
  C      -7.571767     -5.252187      6.358576
  C      -8.500318     -4.345752      7.121219
  C      -7.832614     -5.407662      4.880965
  C      -6.914686     -4.568105      3.920623
  C      -7.521950     -4.658260      2.498361
  C      -6.992050     -3.096744      4.329223
  C      -3.526475     -7.800285      8.678536
  C      -2.980537     -7.684546      7.457442
  C      -3.495620     -8.467152      6.287822
  C      -1.804309     -6.782067      7.200563
  C      -2.071539     -5.362602      6.553324
  C      -0.732559     -4.598768      6.685334
  C      -3.110216     -4.662687      7.433104
  H      -2.230026      2.005284     -0.175591
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  H      -1.556306      0.562426      2.985676
  H      -0.994707      1.822856      1.848672
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  H      -5.915195     -6.588829      6.435275
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  H      -8.530291     -3.335083      6.683822
  H      -8.208206     -4.261275      8.176780
  H      -7.739352     -6.467816      4.602353
  H      -8.875172     -5.122742      4.664236
  H      -7.570817     -5.693571      2.130958
  H      -6.907294     -4.070710      1.799689
  H      -8.546374     -4.254720      2.489669
  H      -8.025394     -2.734504      4.230047
  H      -6.689304     -2.948791      5.371791
  H      -6.352483     -2.494762      3.669545
  H      -4.379488     -8.454358      8.858116
  H      -3.137304     -7.242423      9.532418
  H      -3.765449     -7.772698      5.478235
  H      -2.710964     -9.128755      5.885007
  H      -4.370412     -9.077602      6.549284
  H      -1.312004     -6.569058      8.161075
  H      -1.062922     -7.321369      6.588828
  H       0.078322     -5.100586      6.134106
  H      -0.428663     -4.533247      7.740714
  H      -0.828004     -3.577377      6.291794
  H      -4.129502     -4.966823      7.157553
  H      -2.955241     -4.928109      8.487331
  H      -3.014704     -3.572312      7.366856
  N      -4.220845     -2.573820      5.473908
  H      -3.390688     -2.131727      5.876099
  H      -4.732529     -3.012053      6.242564
  H      -4.808955     -1.822112      5.110723
  N      -1.874723     -3.165620      3.863721
  N      -0.915888     -2.551451      3.898320
89
Coordinates from ORCA-job orca E -5532.144788297423
  N      -3.810470     -3.076049      2.089686
  C      -3.662829     -3.951901      0.923392
  C      -2.775965     -5.141747      1.247940
  N      -3.276704     -5.791140      2.479575
  C      -4.554808     -6.515741      2.219798
  C      -5.403418     -6.438959      3.474352
  N      -5.518045     -5.045107      3.905358
  Mo     -3.682626     -4.104924      3.888230
  N      -2.536824     -5.420624      5.145297
  C      -1.560662     -6.055566      4.259380
  C      -2.284939     -6.717721      3.099474
  H      -0.983929     -6.848584      4.769065
  H      -0.804363     -5.341259      3.872941
  H      -2.842702     -7.580377      3.487209
  H      -1.586278     -7.086090      2.327945
  H      -6.373162     -6.917315      3.265070
  H      -4.934016     -7.045669      4.269126
  H      -5.083621     -6.014096      1.400501
  H      -4.339116     -7.553486      1.908863
  H      -3.211089     -3.438239      0.060558
  H      -4.652336     -4.308061      0.567979
  H      -1.752602     -4.797028      1.450926
  H      -2.750095     -5.865037      0.409353
  C      -2.484919      0.941925     -0.116869
  C      -2.059293      0.184239      0.906890
  C      -1.161796      0.749218      1.974480
  C      -2.403262     -1.282058      1.022172
  C      -3.774347     -1.641764      1.719552
  C      -4.933152     -1.335735      0.749079
  C      -3.978310     -0.754307      2.946143
  C      -6.568625     -5.903328      6.972347
  C      -7.567003     -5.247803      6.359579
  C      -8.492280     -4.338665      7.124206
  C      -7.831750     -5.404169      4.882745
  C      -6.913912     -4.569080      3.919044
  C      -7.521869     -4.665411      2.497732
  C      -6.989820     -3.096761      4.320514
  C      -3.534236     -7.803266      8.675046
  C      -2.983957     -7.686568      7.455649
  C      -3.494940     -8.470720      6.284920
  C      -1.807284     -6.782362      7.201328
  C      -2.073193     -5.363644      6.554428
  C      -0.734333     -4.605170      6.688263
  C      -3.109981     -4.664180      7.434032
  H      -2.229249      2.001712     -0.183187
  H      -3.093377      0.526477     -0.922791
  H      -1.564157      0.571343      2.982902
  H      -1.000949      1.827898      1.843188
  H      -0.182467      0.243750      1.948109
  H      -1.609178     -1.793068      1.582444
  H      -2.418473     -1.710899      0.010609
  H      -4.930715     -0.272363      0.470511
  H      -5.893846     -1.569888      1.230743
  H      -4.858511     -1.925076     -0.175122
  H      -4.973410     -0.935212      3.376912
  H      -3.208357     -0.916167      3.709431
  H      -3.947906      0.301222      2.643817
  H      -5.912326     -6.588256      6.432732
  H      -6.379248     -5.782755      8.041451
  H      -9.525978     -4.720566      7.086483
  H      -8.522974     -3.329639      6.684845
  H      -8.196622     -4.252571      8.178094
  H      -7.741517     -6.464183      4.605088
  H      -8.874272     -5.117137      4.668316
  H      -7.572477     -5.701771      2.135491
  H      -6.906751     -4.082444      1.796692
  H      -8.545351     -4.260932      2.486820
  H      -8.022966     -2.735259      4.219286
  H      -6.686761     -2.943864      5.362313
  H      -6.349608     -2.498457      3.658652
  H      -4.387472     -8.461902      8.853560
  H      -3.148246     -7.244337      9.530588
  H      -3.764752     -7.776570      5.475698
  H      -2.706504     -9.129722      5.882750
  H      -4.368928     -9.084841      6.543852
  H      -1.316317     -6.569112      8.162816
  H      -1.064035     -7.321125      6.590191
  H       0.072654     -5.109226      6.139424
  H      -0.430470     -4.541023      7.744355
  H      -0.826188     -3.585844      6.294081
  H      -4.128230     -4.968208      7.160531
  H      -2.953488     -4.930320      8.488402
  H      -3.015252     -3.574313      7.368165
  N      -4.222825     -2.574476      5.474648
  H      -3.392961     -2.133408      5.878848
  H      -4.736784     -3.013555      6.241311
  H      -4.809759     -1.822070      5.111096
  N      -1.874201     -3.164830      3.866812
  N      -0.914718     -2.551663      3.904058
89
Coordinates from ORCA-job orca E -5532.144798199330
  N      -3.812332     -3.075523      2.088494
  C      -3.664959     -3.952353      0.922380
  C      -2.778176     -5.142968      1.247117
  N      -3.279004     -5.791999      2.479030
  C      -4.557284     -6.516247      2.219698
  C      -5.405274     -6.439281      3.474695
  N      -5.519847     -5.045437      3.905759
  Mo     -3.684166     -4.104563      3.886396
  N      -2.538363     -5.419148      5.143432
  C      -1.563756     -6.056239      4.259582
  C      -2.287878     -6.718297      3.101020
  H      -0.987712     -6.848245      4.770941
  H      -0.807863     -5.345347      3.872113
  H      -2.845214     -7.579546      3.489133
  H      -1.589377     -7.087589      2.331372
  H      -6.375376     -6.917492      3.265543
  H      -4.935524     -7.046201      4.269156
  H      -5.086525     -6.014210      1.400827
  H      -4.342149     -7.554093      1.908406
  H      -3.213071     -3.439266      0.059137
  H      -4.654706     -4.308318      0.567462
  H      -1.754582     -4.798759      1.449645
  H      -2.752834     -5.866399      0.408508
  C      -2.482280      0.943273     -0.112271
  C      -2.056495      0.183394      0.910368
  C      -1.158371      0.745652      1.978929
  C      -2.401547     -1.282876      1.023149
  C      -3.773360     -1.641180      1.718909
  C      -4.930111     -1.331838      0.748060
  C      -3.977669     -0.754635      2.945889
  C      -6.570034     -5.903179      6.971516
  C      -7.568972     -5.249390      6.358691
  C      -8.496355     -4.343713      7.124178
  C      -7.833781     -5.404360      4.881435
  C      -6.915150     -4.569745      3.918319
  C      -7.521432     -4.668428      2.496958
  C      -6.990920     -3.097314      4.318353
  C      -3.525849     -7.799252      8.678005
  C      -2.980063     -7.682807      7.456661
  C      -3.494851     -8.466807      6.288451
  C      -1.804617     -6.782063      7.198035
  C      -2.071977     -5.362678      6.552077
  C      -0.732991     -4.601451      6.684458
  C      -3.109904     -4.663831      7.434418
  H      -2.225907      2.003115     -0.177271
  H      -3.091813      0.529786     -0.918735
  H      -1.562105      0.568831      2.987156
  H      -0.994632      1.823907      1.847744
  H      -0.180499      0.237669      1.953468
  H      -1.608037     -1.795920      1.582823
  H      -2.416730     -1.709958      0.010638
  H      -4.925544     -0.268173      0.472634
  H      -5.891749     -1.565341      1.228192
  H      -4.854758     -1.919020     -0.177382
  H      -4.973495     -0.935544      3.374927
  H      -3.208765     -0.919139      3.709589
  H      -3.945858      0.301246      2.645259
  H      -5.911982     -6.585423      6.431741
  H      -6.382000     -5.782901      8.040870
  H      -9.529154     -4.728815      7.084420
  H      -8.528507     -3.333000      6.686331
  H      -8.202041     -4.258784      8.179597
  H      -7.745332     -6.464465      4.602769
  H      -8.875511     -5.115660      4.667147
  H      -7.571578     -5.705094      2.136200
  H      -6.905891     -4.086512      1.795956
  H      -8.544578     -4.264500      2.484424
  H      -8.024068     -2.736400      4.217094
  H      -6.687550     -2.943674      5.360178
  H      -6.351027     -2.499247      3.655728
  H      -4.378340     -8.460295      8.861665
  H      -3.136285     -7.242011      9.532724
  H      -3.764508     -7.773591      5.478854
  H      -2.708348     -9.127263      5.886322
  H      -4.368924     -9.078355      6.549228
  H      -1.310104     -6.570348      8.157588
  H      -1.065740     -7.321444      6.584886
  H       0.075830     -5.104414      6.135374
  H      -0.429611     -4.536320      7.740162
  H      -0.825996     -3.582179      6.290563
  H      -4.129204     -4.971251      7.162654
  H      -2.951721     -4.927998      8.488819
  H      -3.017283     -3.572845      7.367237
  N      -4.221931     -2.574904      5.472936
  H      -3.391308     -2.130954      5.874751
  H      -4.732979     -3.014702      6.242339
  H      -4.812207     -1.824171      5.110468
  N      -1.876298     -3.164040      3.863824
  N      -0.918013     -2.548135      3.901993
89
Coordinates from ORCA-job orca E -5532.144810684830
  N      -3.812063     -3.075359      2.088896
  C      -3.666232     -3.952462      0.923160
  C      -2.779025     -5.142572      1.247552
  N      -3.278985     -5.791360      2.479872
  C      -4.557268     -6.515801      2.221257
  C      -5.405319     -6.438196      3.476181
  N      -5.519626     -5.044150      3.906754
  Mo     -3.684085     -4.103680      3.887095
  N      -2.538684     -5.418597      5.144733
  C      -1.563208     -6.055081      4.260277
  C      -2.286798     -6.717165      3.100760
  H      -0.986920     -6.847709      4.770844
  H      -0.806806     -5.342541      3.873343
  H      -2.843308     -7.580229      3.487641
  H      -1.587594     -7.084625      2.330326
  H      -6.375549     -6.916193      3.267027
  H      -4.935942     -7.044768      4.271131
  H      -5.086739     -6.013816      1.402489
  H      -4.342142     -7.553667      1.910079
  H      -3.215704     -3.439815      0.058999
  H      -4.656437     -4.308802      0.569937
  H      -1.755388     -4.798036      1.449389
  H      -2.754038     -5.866166      0.409160
  C      -2.478948      0.939449     -0.118733
  C      -2.055378      0.182286      0.905972
  C      -1.158956      0.747351      1.974155
  C      -2.400890     -1.283714      1.021945
  C      -3.772716     -1.641112      1.718473
  C      -4.930559     -1.332278      0.748014
  C      -3.975699     -0.753651      2.945120
  C      -6.572275     -5.910352      6.971306
  C      -7.568987     -5.252280      6.359666
  C      -8.493350     -4.345034      7.126516
  C      -7.834245     -5.403914      4.882263
  C      -6.915234     -4.567927      3.920117
  C      -7.521698     -4.664303      2.498311
  C      -6.991432     -3.095553      4.322513
  C      -3.529730     -7.802167      8.673697
  C      -2.980081     -7.685588      7.454344
  C      -3.488467     -8.471853      6.284249
  C      -1.805873     -6.781207      7.199784
  C      -2.074598     -5.362113      6.553935
  C      -0.736652     -4.598924      6.688242
  C      -3.114223     -4.664933      7.434659
  H      -2.221948      1.998905     -0.185874
  H      -3.086741      0.524098     -0.925097
  H      -1.564178      0.573337      2.981817
  H      -0.995017      1.825316      1.840508
  H      -0.181061      0.239051      1.951512
  H      -1.607643     -1.795207      1.583105
  H      -2.415599     -1.713389      0.010653
  H      -4.927099     -0.268486      0.472264
  H      -5.891756     -1.566406      1.228613
  H      -4.855738     -1.919328     -0.177175
  H      -4.971362     -0.933193      3.374919
  H      -3.206607     -0.917916      3.708617
  H      -3.942962      0.301867      2.643737
  H      -5.916443     -6.593669      6.430622
  H      -6.383951     -5.792597      8.040775
  H      -9.527544     -4.726963      7.085978
  H      -8.522053     -3.333430      6.690365
  H      -8.198850     -4.262867      8.182084
  H      -7.747066     -6.463699      4.601536
  H      -8.875783     -5.113533      4.669180
  H      -7.570652     -5.700727      2.135706
  H      -6.906823     -4.080161      1.797886
  H      -8.545604     -4.261151      2.486816
  H      -8.024320     -2.733811      4.221235
  H      -6.689245     -2.943596      5.364836
  H      -6.350931     -2.496650      3.661206
  H      -4.381641     -8.461799      8.852980
  H      -3.144585     -7.242884      9.529166
  H      -3.759407     -7.779952      5.474007
  H      -2.697904     -9.128808      5.884133
  H      -4.360508     -9.087430      6.542505
  H      -1.314715     -6.568506      8.161153
  H      -1.062948     -7.318303      6.588330
  H       0.073550     -5.100151      6.138863
  H      -0.433959     -4.534260      7.744246
  H      -0.831093     -3.579188      6.295375
  H      -4.132591     -4.972137      7.160559
  H      -2.957869     -4.930094      8.489129
  H      -3.021499     -3.574453      7.369274
  N      -4.220633     -2.572930      5.473322
  H      -3.389353     -2.130131      5.875114
  H      -4.732273     -3.012040      6.242846
  H      -4.810127     -1.821463      5.111120
  N      -1.875874     -3.162896      3.865159
  N      -0.916520     -2.548748      3.903759
89
Coordinates from ORCA-job orca E -5532.144816142475
  N      -3.812548     -3.074385      2.090805
  C      -3.668042     -3.951444      0.925033
  C      -2.779856     -5.141003      1.247936
  N      -3.278031     -5.790774      2.480535
  C      -4.555753     -6.516408      2.223023
  C      -5.403781     -6.438865      3.478205
  N      -5.519093     -5.044670      3.907070
  Mo     -3.683954     -4.103624      3.888827
  N      -2.539046     -5.419387      5.147230
  C      -1.562516     -6.054349      4.262162
  C      -2.284218     -6.715507      3.100333
  H      -0.986418     -6.847709      4.771853
  H      -0.805515     -5.340296      3.877032
  H      -2.839325     -7.581392      3.484167
  H      -1.583027     -7.079363      2.329344
  H      -6.373480     -6.918070      3.269494
  H      -4.933788     -7.044015      4.273870
  H      -5.086280     -6.014983      1.404608
  H      -4.339881     -7.554085      1.911792
  H      -3.219343     -3.438758      0.060023
  H      -4.658644     -4.308422      0.573694
  H      -1.756160     -4.796074      1.448781
  H      -2.755419     -5.864007      0.408999
  C      -2.487379      0.937194     -0.122452
  C      -2.057267      0.182182      0.902454
  C      -1.155341      0.749766      1.965928
  C      -2.400961     -1.283750      1.022830
  C      -3.772316     -1.639998      1.720850
  C      -4.931374     -1.330294      0.751580
  C      -3.973385     -0.752734      2.948215
  C      -6.569675     -5.911986      6.968429
  C      -7.565844     -5.250051      6.359050
  C      -8.485605     -4.338925      7.127566
  C      -7.834309     -5.401169      4.882173
  C      -6.914557     -4.567949      3.918674
  C      -7.521346     -4.666924      2.497136
  C      -6.990077     -3.094658      4.317285
  C      -3.535339     -7.807679      8.671110
  C      -2.981896     -7.689630      7.453339
  C      -3.485848     -8.476583      6.281492
  C      -1.807840     -6.782406      7.202170
  C      -2.076693     -5.363106      6.556937
  C      -0.739364     -4.599462      6.692901
  C      -3.117383     -4.666326      7.436167
  H      -2.231744      1.996712     -0.193318
  H      -3.099678      0.520105     -0.925458
  H      -1.555573      0.576363      2.976665
  H      -0.993625      1.827628      1.829743
  H      -0.175829      0.243439      1.938996
  H      -1.606224     -1.792853      1.584948
  H      -2.415641     -1.715988      0.012183
  H      -4.927785     -0.266188      0.476564
  H      -5.891988     -1.564388      1.233073
  H      -4.858197     -1.916907     -0.174143
  H      -4.968477     -0.932390      3.379273
  H      -3.203176     -0.917218      3.710572
  H      -3.941267      0.302950      2.647016
  H      -5.916956     -6.597480      6.425724
  H      -6.378366     -5.795336      8.037797
  H      -9.521113     -4.717201      7.091112
  H      -8.513067     -3.328629      6.690088
  H      -8.187479     -4.255965      8.181533
  H      -7.749916     -6.461070      4.601303
  H      -8.875716     -5.107994      4.670984
  H      -7.570086     -5.703879      2.136196
  H      -6.907050     -4.083633      1.795522
  H      -8.545558     -4.264217      2.485199
  H      -8.022724     -2.732210      4.213599
  H      -6.689464     -2.940045      5.359618
  H      -6.347739     -2.498137      3.655419
  H      -4.387347     -8.467334      8.846547
  H      -3.154080     -7.247663      9.527804
  H      -3.757204     -7.784915      5.470557
  H      -2.692803     -9.130898      5.882488
  H      -4.356237     -9.095218      6.537709
  H      -1.319062     -6.569485      8.164822
  H      -1.062015     -7.317671      6.591542
  H       0.071513     -5.100935      6.145139
  H      -0.438095     -4.534031      7.749438
  H      -0.833916     -3.579892      6.298926
  H      -4.135272     -4.974269      7.160805
  H      -2.961573     -4.929853      8.491205
  H      -3.025511     -3.576265      7.368940
  N      -4.223324     -2.574802      5.474315
  H      -3.393838     -2.135216      5.881697
  H      -4.740675     -3.013507      6.239440
  H      -4.808234     -1.820702      5.110436
  N      -1.876601     -3.162300      3.868457
  N      -0.918153     -2.547414      3.909185
89
Coordinates from ORCA-job orca E -5532.144827245022
  N      -3.813903     -3.073440      2.091252
  C      -3.671110     -3.950912      0.925553
  C      -2.782170     -5.140161      1.247668
  N      -3.279101     -5.789960      2.480813
  C      -4.556634     -6.516251      2.224522
  C      -5.403678     -6.438532      3.480314
  N      -5.519638     -5.044014      3.907872
  Mo     -3.684883     -4.102517      3.888957
  N      -2.540670     -5.418938      5.147295
  C      -1.563812     -6.053238      4.262863
  C      -2.284102     -6.713892      3.100102
  H      -0.987699     -6.846586      4.772555
  H      -0.807026     -5.339089      3.878555
  H      -2.837394     -7.581495      3.481996
  H      -1.581651     -7.074985      2.329340
  H      -6.373165     -6.918699      3.272886
  H      -4.932409     -7.042257      4.276262
  H      -5.088147     -6.014874      1.406721
  H      -4.340479     -7.553789      1.913006
  H      -3.224344     -3.438674      0.059282
  H      -4.662340     -4.308408      0.576463
  H      -1.758405     -4.794865      1.447659
  H      -2.758095     -5.863207      0.408664
  C      -2.481641      0.932101     -0.127847
  C      -2.055051      0.180671      0.900236
  C      -1.156722      0.751976      1.963725
  C      -2.399358     -1.284958      1.024631
  C      -3.771430     -1.639121      1.721302
  C      -4.929627     -1.327648      0.751873
  C      -3.971614     -0.751687      2.948567
  C      -6.569159     -5.914592      6.967468
  C      -7.564783     -5.250750      6.359719
  C      -8.482467     -4.339078      7.129806
  C      -7.835011     -5.400199      4.882986
  C      -6.915195     -4.567452      3.918979
  C      -7.521691     -4.667754      2.497385
  C      -6.991021     -3.093627      4.316467
  C      -3.535772     -7.809610      8.668464
  C      -2.980852     -7.691401      7.451647
  C      -3.481191     -8.480284      6.279636
  C      -1.808210     -6.782305      7.201503
  C      -2.078715     -5.363073      6.556950
  C      -0.742281     -4.598226      6.693552
  C      -3.120168     -4.667898      7.436332
  H      -2.225475      1.991352     -0.201634
  H      -3.091050      0.512430     -0.931014
  H      -1.560484      0.583760      2.973281
  H      -0.993370      1.829035      1.823236
  H      -0.178407      0.244209      1.942581
  H      -1.606167     -1.792233      1.589873
  H      -2.411906     -1.720719      0.015826
  H      -4.925255     -0.263125      0.478045
  H      -5.890508     -1.561451      1.233285
  H      -4.856837     -1.913565     -0.174554
  H      -4.966995     -0.929973      3.379539
  H      -3.201659     -0.917083      3.711002
  H      -3.937760      0.304036      2.647364
  H      -5.917920     -6.600239      6.423572
  H      -6.376837     -5.798974      8.036745
  H      -9.518248     -4.716332      7.094977
  H      -8.509629     -3.328905      6.692353
  H      -8.182887     -4.256403      8.183270
  H      -7.752452     -6.459881      4.601090
  H      -8.876058     -5.105252      4.673598
  H      -7.569049     -5.705090      2.137107
  H      -6.908238     -4.084049      1.795354
  H      -8.546340     -4.266224      2.485185
  H      -8.023379     -2.730712      4.211236
  H      -6.691965     -2.938429      5.359286
  H      -6.347558     -2.497941      3.654940
  H      -4.387119     -8.470333      8.843167
  H      -3.156550     -7.248482      9.525424
  H      -3.753598     -7.789947      5.468218
  H      -2.685235     -9.131966      5.881831
  H      -4.349928     -9.101929      6.534715
  H      -1.320178     -6.569295      8.164304
  H      -1.061291     -7.315745      6.591142
  H       0.069337     -5.098787      6.145712
  H      -0.441615     -4.533271      7.750324
  H      -0.837748     -3.578091      6.300170
  H      -4.137403     -4.977700      7.162579
  H      -2.963024     -4.930905      8.491373
  H      -3.030192     -3.577347      7.368754
  N      -4.224727     -2.575014      5.474406
  H      -3.395335     -2.135848      5.883088
  H      -4.742892     -3.014458      6.238763
  H      -4.809519     -1.820394      5.111075
  N      -1.878188     -3.160036      3.870362
  N      -0.920328     -2.543974      3.913380
89
Coordinates from ORCA-job orca E -5532.144836325861
  N      -3.816177     -3.071178      2.091934
  C      -3.678289     -3.950133      0.926915
  C      -2.787828     -5.138923      1.247129
  N      -3.281365     -5.788435      2.481857
  C      -4.558734     -6.516062      2.228615
  C      -5.404020     -6.437068      3.485611
  N      -5.520697     -5.041885      3.910751
  Mo     -3.686420     -4.099844      3.889237
  N      -2.543179     -5.417023      5.147989
  C      -1.565583     -6.051046      4.264193
  C      -2.283668     -6.710602      3.099696
  H      -0.990011     -6.845047      4.773531
  H      -0.808296     -5.336686      3.881409
  H      -2.833423     -7.581723      3.477811
  H      -1.578974     -7.066233      2.328912
  H      -6.373449     -6.918505      3.280569
  H      -4.930769     -7.038295      4.282258
  H      -5.092176     -6.015251      1.411674
  H      -4.342316     -7.553564      1.917160
  H      -3.235792     -3.439256      0.057659
  H      -4.671065     -4.308581      0.583325
  H      -1.763708     -4.793023      1.444275
  H      -2.765621     -5.862291      0.408304
  C      -2.474165      0.922914     -0.139025
  C      -2.049449      0.176977      0.893308
  C      -1.152245      0.753546      1.954645
  C      -2.395207     -1.287680      1.025496
  C      -3.768740     -1.637079      1.721336
  C      -4.926483     -1.321855      0.752158
  C      -3.965952     -0.748936      2.948598
  C      -6.572734     -5.926078      6.965170
  C      -7.565834     -5.256801      6.361010
  C      -8.481269     -4.347622      7.136292
  C      -7.837644     -5.398531      4.883735
  C      -6.916265     -4.565247      3.921245
  C      -7.521290     -4.665672      2.498942
  C      -6.992212     -3.091118      4.319378
  C      -3.538453     -7.812454      8.661783
  C      -2.978562     -7.693183      7.447436
  C      -3.468452     -8.487496      6.274530
  C      -1.809376     -6.779902      7.201785
  C      -2.082804     -5.361265      6.558285
  C      -0.748159     -4.593752      6.697557
  C      -3.127302     -4.668955      7.436823
  H      -2.216642      1.981281     -0.218803
  H      -3.082910      0.499598     -0.940598
  H      -1.558979      0.593772      2.964194
  H      -0.986018      1.829103      1.806767
  H      -0.175113      0.243188      1.939848
  H      -1.603642     -1.792110      1.595498
  H      -2.405407     -1.729703      0.019313
  H      -4.921567     -0.256368      0.482623
  H      -5.887662     -1.556928      1.232929
  H      -4.854249     -1.904200     -0.176524
  H      -4.962168     -0.923649      3.379423
  H      -3.196535     -0.917444      3.711199
  H      -3.927692      0.306745      2.647447
  H      -5.923355     -6.610028      6.417912
  H      -6.380707     -5.815905      8.034722
  H      -9.517652     -4.723377      7.099020
  H      -8.505827     -3.333995      6.704008
  H      -8.182284     -4.271150      8.191286
  H      -7.759918     -6.457359      4.597366
  H      -8.877329     -5.098522      4.677499
  H      -7.565981     -5.703127      2.138256
  H      -6.908821     -4.080202      1.797467
  H      -8.546700     -4.266242      2.486165
  H      -8.023922     -2.726848      4.211929
  H      -6.695837     -2.936784      5.363516
  H      -6.346677     -2.495927      3.659274
  H      -4.387733     -8.477691      8.834380
  H      -3.165841     -7.248510      9.519711
  H      -3.743222     -7.801333      5.461035
  H      -2.665193     -9.133053      5.881122
  H      -4.333147     -9.115642      6.526358
  H      -1.324390     -6.566652      8.166331
  H      -1.059219     -7.309280      6.592649
  H       0.065203     -5.092181      6.151357
  H      -0.449421     -4.528458      7.754787
  H      -0.844410     -3.574701      6.304988
  H      -4.143612     -4.981303      7.161326
  H      -2.971733     -4.931383      8.492315
  H      -3.039042     -3.578241      7.370253
  N      -4.224333     -2.572016      5.472788
  H      -3.394317     -2.131754      5.881141
  H      -4.742351     -3.010906      6.238561
  H      -4.810012     -1.817618      5.109935
  N      -1.879922     -3.155361      3.873995
  N      -0.924332     -2.535880      3.922239
89
Coordinates from ORCA-job orca E -5532.144842346339
  N      -3.818192     -3.069992      2.093260
  C      -3.682200     -3.949212      0.928203
  C      -2.790819     -5.137732      1.246952
  N      -3.282332     -5.787547      2.482426
  C      -4.559346     -6.516418      2.230578
  C      -5.403888     -6.437239      3.488068
  N      -5.521459     -5.041845      3.911736
  Mo     -3.687593     -4.099426      3.890032
  N      -2.544702     -5.417103      5.148706
  C      -1.566493     -6.049596      4.264969
  C      -2.283039     -6.708693      3.099321
  H      -0.990841     -6.843639      4.773970
  H      -0.809769     -5.334612      3.883288
  H      -2.830905     -7.581704      3.475451
  H      -1.577112     -7.061295      2.328492
  H      -6.373026     -6.919762      3.284133
  H      -4.929403     -7.036839      4.285259
  H      -5.093872     -6.016274      1.413956
  H      -4.342228     -7.553766      1.919236
  H      -3.241760     -3.438501      0.057900
  H      -4.675560     -4.308122      0.586926
  H      -1.766587     -4.791368      1.442672
  H      -2.769522     -5.860982      0.408059
  C      -2.473161      0.917912     -0.142476
  C      -2.048266      0.175010      0.891947
  C      -1.151082      0.754607      1.951467
  C      -2.394250     -1.289192      1.028215
  C      -3.768313     -1.635914      1.723103
  C      -4.924993     -1.318558      0.753851
  C      -3.964071     -0.747856      2.950585
  C      -6.571388     -5.927324      6.963405
  C      -7.563825     -5.254833      6.360862
  C      -8.475124     -4.342754      7.136933
  C      -7.838984     -5.395953      4.884234
  C      -6.916898     -4.565410      3.920745
  C      -7.521748     -4.669140      2.498946
  C      -6.992431     -3.090761      4.314850
  C      -3.539621     -7.816506      8.658124
  C      -2.976890     -7.696528      7.445213
  C      -3.461653     -8.493202      6.271710
  C      -1.809451     -6.780085      7.202185
  C      -2.084894     -5.361602      6.559138
  C      -0.751535     -4.591363      6.699040
  C      -3.130714     -4.670769      7.437293
  H      -2.215661      1.976104     -0.225741
  H      -3.082174      0.492263     -0.942566
  H      -1.558468      0.598759      2.961337
  H      -0.983945      1.829505      1.799720
  H      -0.174401      0.243584      1.939105
  H      -1.603609     -1.792039      1.600558
  H      -2.403188     -1.734377      0.023513
  H      -4.919125     -0.252566      0.485639
  H      -5.886243     -1.553219      1.234093
  H      -4.853062     -1.900185     -0.175501
  H      -4.960297     -0.921155      3.381531
  H      -3.194557     -0.917978      3.712376
  H      -3.924203      0.307818      2.650113
  H      -5.925096     -6.613199      6.414935
  H      -6.376631     -5.818037      8.032611
  H      -9.512965     -4.715055      7.101751
  H      -8.498114     -3.330053      6.704183
  H      -8.173257     -4.266148      8.190632
  H      -7.764856     -6.454992      4.597860
  H      -8.878453     -5.092914      4.679561
  H      -7.565388     -5.707096      2.140620
  H      -6.909815     -4.084590      1.796609
  H      -8.547493     -4.270946      2.484918
  H      -8.023530     -2.726637      4.203406
  H      -6.698588     -2.933789      5.358889
  H      -6.344656     -2.497644      3.655139
  H      -4.387805     -8.483571      8.828701
  H      -3.170668     -7.251041      9.516964
  H      -3.738179     -7.808418      5.457401
  H      -2.655292     -9.135800      5.879774
  H      -4.324404     -9.124691      6.522709
  H      -1.326638     -6.566054      8.167467
  H      -1.056748     -7.306865      6.594031
  H       0.063451     -5.088328      6.152434
  H      -0.453534     -4.525961      7.756487
  H      -0.849592     -3.571430      6.306816
  H      -4.146448     -4.985150      7.162721
  H      -2.974147     -4.931451      8.492977
  H      -3.044565     -3.579915      7.368669
  N      -4.226800     -2.573278      5.473825
  H      -3.397895     -2.133735      5.884710
  H      -4.746565     -3.012878      6.237820
  H      -4.811532     -1.817931      5.111253
  N      -1.882118     -3.153564      3.877026
  N      -0.927583     -2.532447      3.928275
89
Coordinates from ORCA-job orca E -5532.144847206901
  N      -3.818384     -3.069497      2.093633
  C      -3.683479     -3.948752      0.928393
  C      -2.791598     -5.137111      1.246512
  N      -3.282165     -5.786920      2.482474
  C      -4.559126     -6.516311      2.231096
  C      -5.403208     -6.437018      3.488860
  N      -5.521442     -5.041496      3.912040
  Mo     -3.687746     -4.099197      3.890485
  N      -2.545255     -5.417928      5.148707
  C      -1.566281     -6.049055      4.265063
  C      -2.282067     -6.707807      3.098607
  H      -0.990371     -6.843108      4.773833
  H      -0.809957     -5.333151      3.884333
  H      -2.829186     -7.581670      3.473962
  H      -1.575550     -7.058833      2.327495
  H      -6.372124     -6.920356      3.285966
  H      -4.927550     -7.035810      4.285998
  H      -5.093828     -6.016786      1.414231
  H      -4.341730     -7.553728      1.920235
  H      -3.244066     -3.437876      0.057666
  H      -4.677057     -4.307959      0.588078
  H      -1.767366     -4.790351      1.441597
  H      -2.770643     -5.860548      0.407742
  C      -2.473525      0.916005     -0.144482
  C      -2.047265      0.174332      0.890627
  C      -1.148940      0.755119      1.948789
  C      -2.393008     -1.289657      1.029066
  C      -3.767635     -1.635452      1.723523
  C      -4.923966     -1.317345      0.754095
  C      -3.963027     -0.747325      2.951013
  C      -6.570259     -5.926437      6.963614
  C      -7.563656     -5.254902      6.361466
  C      -8.475732     -4.343517      7.137859
  C      -7.838633     -5.396345      4.884743
  C      -6.917050     -4.565503      3.921188
  C      -7.521822     -4.669130      2.499329
  C      -6.993125     -3.090798      4.315694
  C      -3.540499     -7.817876      8.657103
  C      -2.977009     -7.697972      7.444503
  C      -3.461027     -8.494846      6.271097
  C      -1.809721     -6.780480      7.201955
  C      -2.085490     -5.361821      6.559103
  C      -0.752238     -4.591984      6.699278
  C      -3.131594     -4.670840      7.436809
  H      -2.216404      1.974135     -0.229393
  H      -3.083552      0.489150     -0.943345
  H      -1.555412      0.600039      2.959394
  H      -0.982099      1.829843      1.795929
  H      -0.172023      0.244392      1.935964
  H      -1.602598     -1.791711      1.602756
  H      -2.401281     -1.736393      0.024950
  H      -4.918036     -0.251080      0.487046
  H      -5.885370     -1.552878      1.234004
  H      -4.851724     -1.897967     -0.176101
  H      -4.959594     -0.919682      3.381642
  H      -3.193804     -0.918341      3.712854
  H      -3.922177      0.308439      2.650668
  H      -5.923620     -6.612032      6.414633
  H      -6.375212     -5.817247      8.032902
  H      -9.513033     -4.716356      7.102923
  H      -8.500017     -3.331092      6.705229
  H      -8.173632     -4.266438      8.191219
  H      -7.763811     -6.455404      4.598429
  H      -8.878188     -5.093942      4.679927
  H      -7.564308     -5.707055      2.140423
  H      -6.910628     -4.083608      1.797164
  H      -8.547966     -4.271952      2.485705
  H      -8.024346     -2.726311      4.203221
  H      -6.699958     -2.934060      5.360187
  H      -6.344659     -2.497748      3.656337
  H      -4.388509     -8.484968      8.827364
  H      -3.172371     -7.251844      9.515684
  H      -3.737706     -7.810501      5.456358
  H      -2.655058     -9.137606      5.879643
  H      -4.323678     -9.125837      6.522605
  H      -1.327541     -6.566255      8.167311
  H      -1.056188     -7.306595      6.593758
  H       0.062314     -5.089370      6.153109
  H      -0.454395     -4.526678      7.756938
  H      -0.849755     -3.571991      6.306746
  H      -4.147338     -4.985351      7.162312
  H      -2.975069     -4.931093      8.492670
  H      -3.045482     -3.579801      7.367372
  N      -4.228757     -2.573069      5.473371
  H      -3.400756     -2.133431      5.885403
  H      -4.749148     -3.012749      6.236518
  H      -4.812962     -1.817734      5.110205
  N      -1.883164     -3.152160      3.879416
  N      -0.930366     -2.528606      3.933479
89
Coordinates from ORCA-job orca E -5532.144852727619
  N      -3.818635     -3.068728      2.094249
  C      -3.685757     -3.948259      0.928944
  C      -2.793347     -5.136480      1.245970
  N      -3.282178     -5.786046      2.482869
  C      -4.559286     -6.516067      2.232636
  C      -5.402522     -6.436201      3.490864
  N      -5.521363     -5.040533      3.913352
  Mo     -3.687775     -4.098619      3.891150
  N      -2.545590     -5.418681      5.148576
  C      -1.565627     -6.048399      4.264832
  C      -2.280978     -6.706739      3.097566
  H      -0.989693     -6.842639      4.773324
  H      -0.809584     -5.331453      3.885188
  H      -2.827360     -7.581451      3.472472
  H      -1.574329     -7.056201      2.325700
  H      -6.371282     -6.920445      3.289552
  H      -4.925285     -7.033907      4.287931
  H      -5.094159     -6.017826      1.415133
  H      -4.341749     -7.553799      1.923050
  H      -3.247586     -3.437310      0.057661
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  H      -2.773470     -5.860325      0.407610
  C      -2.472749      0.912906     -0.147898
  C      -2.045535      0.172997      0.888415
  C      -1.146232      0.755381      1.945193
  C      -2.391388     -1.290591      1.029800
  C      -3.766855     -1.634797      1.723756
  C      -4.922746     -1.316044      0.753857
  C      -3.961756     -0.746159      2.950989
  C      -6.570697     -5.926888      6.964321
  C      -7.564432     -5.255481      6.362549
  C      -8.477492     -4.345527      7.139807
  C      -7.838838     -5.396267      4.885724
  C      -6.917222     -4.565132      3.922649
  C      -7.521828     -4.668430      2.500671
  C      -6.993688     -3.090723      4.317729
  C      -3.543404     -7.819452      8.653466
  C      -2.976926     -7.699304      7.442109
  C      -3.456576     -8.498348      6.268392
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  H      -2.215825      1.970836     -0.234970
  H      -3.083760      0.484347     -0.945256
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  H      -0.979691      1.829952      1.791009
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  H      -1.601484     -1.791711      1.605282
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  H      -5.923800     -6.612065      6.414800
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  H      -8.501223     -3.331806      6.709834
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  H      -7.764137     -6.455308      4.599249
  H      -8.878506     -5.093961      4.680299
  H      -7.563068     -5.706155      2.141138
  H      -6.911085     -4.081861      1.798970
  H      -8.548516     -4.272442      2.487185
  H      -8.024761     -2.726217      4.203380
  H      -6.701528     -2.934245      5.362478
  H      -6.344236     -2.497568      3.659403
  H      -4.390385     -8.488266      8.822151
  H      -3.178713     -7.251970      9.512351
  H      -3.734134     -7.815556      5.452533
  H      -2.648635     -9.139926      5.878484
  H      -4.318538     -9.130935      6.519915
  H      -1.330782     -6.565395      8.169227
  H      -1.055194     -7.305247      6.595948
  H       0.061520     -5.088719      6.154026
  H      -0.455660     -4.526384      7.757855
  H      -0.850745     -3.571849      6.307919
  H      -4.148755     -4.984808      7.159921
  H      -2.977946     -4.931261      8.491992
  H      -3.046374     -3.580117      7.366322
  N      -4.229638     -2.571023      5.472875
  H      -3.402331     -2.130003      5.884310
  H      -4.749305     -3.010019      6.236540
  H      -4.814222     -1.816605      5.108808
  N      -1.883400     -3.150554      3.882875
  N      -0.932790     -2.523951      3.940025
89
Coordinates from ORCA-job orca E -5532.144855745618
  N      -3.819204     -3.067967      2.094644
  C      -3.688359     -3.947901      0.929329
  C      -2.795336     -5.135936      1.245395
  N      -3.282416     -5.785200      2.483224
  C      -4.559684     -6.515759      2.234245
  C      -5.402038     -6.435406      3.492980
  N      -5.521510     -5.039564      3.914859
  Mo     -3.688007     -4.097862      3.891505
  N      -2.546048     -5.418819      5.147900
  C      -1.565104     -6.047188      4.264146
  C      -2.280083     -6.705555      3.096711
  H      -0.988690     -6.841254      4.772488
  H      -0.809728     -5.329287      3.885064
  H      -2.825546     -7.580757      3.471740
  H      -1.573740     -7.054024      2.324212
  H      -6.370706     -6.920475      3.293059
  H      -4.923369     -7.032132      4.289981
  H      -5.094899     -6.018567      1.416357
  H      -4.342081     -7.553771      1.925707
  H      -3.251357     -3.437059      0.057406
  H      -4.682847     -4.307174      0.592054
  H      -1.770797     -4.788434      1.437565
  H      -2.776482     -5.860204      0.407463
  C      -2.469465      0.909770     -0.151015
  C      -2.043325      0.171585      0.886841
  C      -1.144534      0.755387      1.943282
  C      -2.389885     -1.291591      1.030593
  C      -3.766329     -1.634145      1.723524
  C      -4.921433     -1.314823      0.752901
  C      -3.961164     -0.744720      2.950203
  C      -6.571833     -5.927287      6.966062
  C      -7.565516     -5.256142      6.363869
  C      -8.479229     -4.347010      7.140991
  C      -7.839039     -5.396663      4.886901
  C      -6.917605     -4.564930      3.924304
  C      -7.521806     -4.668398      2.502215
  C      -6.994887     -3.090707      4.319956
  C      -3.545259     -7.820698      8.649731
  C      -2.976132     -7.700938      7.439623
  C      -3.452154     -8.501990      6.265844
  C      -1.810578     -6.780040      7.202205
  C      -2.086938     -5.361872      6.558847
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  C      -3.134660     -4.671208      7.434870
  H      -2.212138      1.967414     -0.239683
  H      -3.080101      0.479736     -0.947794
  H      -1.550804      0.602411      2.954556
  H      -0.977876      1.829826      1.788028
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  H      -2.396673     -1.742662      0.028270
  H      -4.916257     -0.247904      0.489010
  H      -5.883195     -1.553460      1.230374
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  H      -4.958786     -0.913930      3.379820
  H      -3.193083     -0.918039      3.712603
  H      -3.917253      0.310762      2.649353
  H      -5.924446     -6.612202      6.416818
  H      -6.377270     -5.819747      8.035450
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  H      -8.501621     -3.332186      6.713202
  H      -8.179951     -4.274884      8.195646
  H      -7.764100     -6.455761      4.600385
  H      -8.878688     -5.094752      4.680631
  H      -7.561913     -5.706018      2.142409
  H      -6.911362     -4.081109      1.800962
  H      -8.548859     -4.273548      2.488540
  H      -8.025939     -2.726496      4.204379
  H      -6.703504     -2.934582      5.364978
  H      -6.344966     -2.497046      3.662428
  H      -4.391155     -8.491202      8.817303
  H      -3.183572     -7.251642      9.508870
  H      -3.730563     -7.820752      5.449011
  H      -2.642948     -9.142732      5.877746
  H      -4.313364     -9.135286      6.517391
  H      -1.333129     -6.564673      8.169783
  H      -1.053246     -7.303981      6.596808
  H       0.060513     -5.087754      6.154178
  H      -0.456630     -4.526526      7.758308
  H      -0.851554     -3.571516      6.308858
  H      -4.150222     -4.984943      7.157872
  H      -2.980299     -4.931586      8.490875
  H      -3.047839     -3.580419      7.365222
  N      -4.229985     -2.568742      5.472849
  H      -3.402634     -2.125587      5.882162
  H      -4.747413     -3.007688      6.238230
  H      -4.816577     -1.815930      5.108732
  N      -1.884233     -3.148349      3.885808
  N      -0.935180     -2.519535      3.946562
89
Coordinates from ORCA-job orca E -5532.144858128542
  N      -3.819307     -3.067629      2.094893
  C      -3.689564     -3.947855      0.929577
  C      -2.796240     -5.135804      1.245124
  N      -3.282380     -5.784930      2.483442
  C      -4.559775     -6.515566      2.235368
  C      -5.401500     -6.434902      3.494501
  N      -5.521260     -5.038973      3.915869
  Mo     -3.687842     -4.097182      3.891666
  N      -2.546205     -5.419002      5.147538
  C      -1.564761     -6.046737      4.263978
  C      -2.279482     -6.705115      3.096354
  H      -0.988075     -6.840600      4.772412
  H      -0.809690     -5.328358      3.885136
  H      -2.824494     -7.580640      3.471431
  H      -1.573361     -7.053141      2.323450
  H      -6.370108     -6.920490      3.295378
  H      -4.922029     -7.031079      4.291435
  H      -5.095257     -6.018819      1.417392
  H      -4.342391     -7.553805      1.927375
  H      -3.253144     -3.437132      0.057276
  H      -4.684373     -4.307036      0.593228
  H      -1.771539     -4.788272      1.436424
  H      -2.777984     -5.860271      0.407354
  C      -2.467303      0.907947     -0.153261
  C      -2.042469      0.171094      0.885947
  C      -1.145227      0.756228      1.942714
  C      -2.389026     -1.292005      1.031152
  C      -3.765975     -1.633872      1.723278
  C      -4.920589     -1.314470      0.752036
  C      -3.961262     -0.743924      2.949514
  C      -6.571494     -5.926488      6.967337
  C      -7.565390     -5.255786      6.365077
  C      -8.479415     -4.347062      7.142419
  C      -7.838766     -5.396519      4.888102
  C      -6.917524     -4.564697      3.925240
  C      -7.521770     -4.668812      2.503159
  C      -6.995290     -3.090385      4.320556
  C      -3.547817     -7.821381      8.646739
  C      -2.976431     -7.701837      7.437665
  C      -3.449425     -8.504627      6.263712
  C      -1.811311     -6.780408      7.202039
  C      -2.087417     -5.362366      6.558611
  C      -0.754895     -4.591874      6.700906
  C      -3.135527     -4.671939      7.434261
  H      -2.210062      1.965542     -0.242775
  H      -3.076741      0.476744     -0.950163
  H      -1.552355      0.603787      2.953568
  H      -0.979048      1.830645      1.786808
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  H      -5.882570     -1.553789      1.228701
  H      -4.845132     -1.890894     -0.180354
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  H      -3.916886      0.311412      2.648262
  H      -5.923728     -6.611118      6.418304
  H      -6.377088     -5.818925      8.036758
  H      -9.517117     -4.718433      7.100959
  H      -8.500987     -3.331686      6.715852
  H      -8.180944     -4.276473      8.197393
  H      -7.763753     -6.455708      4.601750
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  H      -6.911707     -4.081253      1.801714
  H      -8.549138     -4.274654      2.489553
  H      -8.026413     -2.726466      4.204786
  H      -6.703892     -2.933966      5.365547
  H      -6.345479     -2.496696      3.662951
  H      -4.393079     -8.492956      8.813028
  H      -3.188548     -7.251445      9.506292
  H      -3.728080     -7.824626      5.446080
  H      -2.638549     -9.144449      5.877047
  H      -4.310055     -9.139218      6.514703
  H      -1.335464     -6.564982      8.170510
  H      -1.052941     -7.303992      6.597914
  H       0.060150     -5.087723      6.154001
  H      -0.457213     -4.527685      7.758586
  H      -0.852291     -3.571693      6.309939
  H      -4.150872     -4.985443      7.156530
  H      -2.981708     -4.932600      8.490340
  H      -3.048683     -3.581198      7.364724
  N      -4.230180     -2.566950      5.472679
  H      -3.402847     -2.122606      5.880806
  H      -4.746567     -3.005790      6.238774
  H      -4.817813     -1.815169      5.108166
  N      -1.884181     -3.146912      3.887706
  N      -0.936140     -2.516610      3.950212
89
Coordinates from ORCA-job orca E -5532.144860604312
  N      -3.819596     -3.067206      2.095522
  C      -3.690649     -3.947481      0.930067
  C      -2.796882     -5.135251      1.244783
  N      -3.281904     -5.784717      2.483347
  C      -4.559320     -6.515497      2.236264
  C      -5.400280     -6.435008      3.495978
  N      -5.520736     -5.039062      3.916786
  Mo     -3.687417     -4.096638      3.891994
  N      -2.545771     -5.419359      5.146851
  C      -1.563900     -6.046313      4.263246
  C      -2.278359     -6.704669      3.095552
  H      -0.986719     -6.839832      4.771670
  H      -0.809336     -5.327400      3.884506
  H      -2.822857     -7.580524      3.470665
  H      -1.572685     -7.052385      2.322107
  H      -6.368609     -6.921507      3.297614
  H      -4.919804     -7.030438      4.292802
  H      -5.095525     -6.018856      1.418716
  H      -4.342087     -7.553773      1.928237
  H      -3.254808     -3.436738      0.057489
  H      -4.685763     -4.306557      0.594571
  H      -1.771976     -4.787808      1.435195
  H      -2.779247     -5.859545      0.406823
  C      -2.465488      0.906424     -0.154853
  C      -2.042314      0.171037      0.885872
  C      -1.146791      0.757658      1.943139
  C      -2.388730     -1.292034      1.032447
  C      -3.766149     -1.633434      1.723521
  C      -4.920139     -1.314239      0.751454
  C      -3.962583     -0.743029      2.949274
  C      -6.571137     -5.922886      6.969774
  C      -7.565327     -5.253691      6.366223
  C      -8.479897     -4.344455      7.142252
  C      -7.838159     -5.396604      4.889388
  C      -6.917227     -4.565267      3.925572
  C      -7.521613     -4.671242      2.503599
  C      -6.995777     -3.090496      4.319257
  C      -3.550280     -7.821869      8.644515
  C      -2.977292     -7.703118      7.436206
  C      -3.448913     -8.507123      6.262429
  C      -1.811882     -6.782010      7.201166
  C      -2.086847     -5.363614      6.557916
  C      -0.753612     -4.594142      6.700606
  C      -3.134436     -4.672532      7.433540
  H      -2.208257      1.963984     -0.245069
  H      -3.073378      0.474141     -0.952242
  H      -1.554485      0.605151      2.953621
  H      -0.981751      1.832257      1.786886
  H      -0.168762      0.248809      1.933323
  H      -1.601184     -1.790427      1.613259
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  H      -4.915108     -0.246965      0.488904
  H      -5.882402     -1.554020      1.227169
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  H      -3.195668     -0.916189      3.712891
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  H      -5.922476     -6.607600      6.422101
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  H      -9.517810     -4.715459      7.099692
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  H      -7.762181     -6.456112      4.604464
  H      -8.878018     -5.095930      4.682127
  H      -7.560891     -5.709377      2.144994
  H      -6.911961     -4.084124      1.801358
  H      -8.549179     -4.277556      2.489839
  H      -8.026972     -2.727145      4.203262
  H      -6.704650     -2.932912      5.364137
  H      -6.346189     -2.497147      3.661188
  H      -4.395381     -8.493711      8.809911
  H      -3.192359     -7.251431      9.504305
  H      -3.727268     -7.827845      5.444120
  H      -2.637254     -9.146759      5.876823
  H      -4.309376     -9.142282      6.513062
  H      -1.336624     -6.567102      8.170005
  H      -1.053268     -7.305986      6.597716
  H       0.061165     -5.090293      6.153574
  H      -0.455971     -4.530657      7.758401
  H      -0.850275     -3.573737      6.310158
  H      -4.149879     -4.985972      7.156407
  H      -2.980018     -4.932320      8.489606
  H      -3.047704     -3.581878      7.362658
  N      -4.231178     -2.566274      5.473479
  H      -3.404096     -2.120610      5.880824
  H      -4.746745     -3.005802      6.239757
  H      -4.820164     -1.815674      5.108622
  N      -1.884588     -3.144932      3.890022
  N      -0.937560     -2.513173      3.954670
89
Coordinates from ORCA-job orca E -5532.144862379178
  N      -3.819573     -3.067055      2.095909
  C      -3.691053     -3.947703      0.930625
  C      -2.797142     -5.135407      1.245100
  N      -3.281593     -5.784862      2.483824
  C      -4.559068     -6.515444      2.237578
  C      -5.399693     -6.434707      3.497541
  N      -5.520183     -5.038727      3.917935
  Mo     -3.686817     -4.095895      3.892436
  N      -2.545515     -5.419235      5.146850
  C      -1.563346     -6.045867      4.263381
  C      -2.277676     -6.704528      3.095861
  H      -0.985636     -6.838936      4.771962
  H      -0.809271     -5.326513      3.884292
  H      -2.821798     -7.580567      3.471069
  H      -1.572351     -7.052329      2.322141
  H      -6.367982     -6.921406      3.299188
  H      -4.919225     -7.029872      4.294547
  H      -5.095798     -6.018502      1.420530
  H      -4.342256     -7.553761      1.929298
  H      -3.255621     -3.437309      0.057619
  H      -4.686441     -4.306762      0.595908
  H      -1.771993     -4.788267      1.434839
  H      -2.780038     -5.859641      0.407001
  C      -2.464722      0.905442     -0.156433
  C      -2.042655      0.171063      0.885484
  C      -1.148807      0.758898      1.943459
  C      -2.388525     -1.292103      1.032922
  C      -3.766203     -1.633415      1.723145
  C      -4.919626     -1.314869      0.750117
  C      -3.964046     -0.742349      2.948188
  C      -6.570268     -5.921868      6.971198
  C      -7.564373     -5.252546      6.367416
  C      -8.478188     -4.342312      7.143191
  C      -7.837547     -5.396030      4.890594
  C      -6.916639     -4.565006      3.926287
  C      -7.521195     -4.672060      2.504437
  C      -6.995421     -3.089982      4.319071
  C      -3.554363     -7.822837      8.641025
  C      -2.978401     -7.704546      7.434050
  C      -3.446471     -8.510550      6.259966
  C      -1.813086     -6.783045      7.200853
  C      -2.087277     -5.364442      6.557962
  C      -0.753930     -4.595414      6.701520
  C      -3.135234     -4.673454      7.433113
  H      -2.207764      1.963075     -0.247047
  H      -3.071254      0.472453     -0.954526
  H      -1.556886      0.605889      2.953634
  H      -0.985152      1.833676      1.787186
  H      -0.170150      0.251334      1.934229
  H      -1.601230     -1.789468      1.615004
  H      -2.391724     -1.746810      0.032375
  H      -4.914518     -0.247512      0.487643
  H      -5.882240     -1.554692      1.225252
  H      -4.842463     -1.890595     -0.182588
  H      -4.962467     -0.911892      3.375916
  H      -3.197846     -0.914744      3.712688
  H      -3.920102      0.312642      2.645880
  H      -5.921599     -6.606919      6.423884
  H      -6.376254     -5.811993      8.040653
  H      -9.516562     -4.711922      7.100723
  H      -8.496945     -3.326986      6.716808
  H      -8.181209     -4.272979      8.198540
  H      -7.761470     -6.455670      4.606028
  H      -8.877413     -5.095363      4.683401
  H      -7.560781     -5.710498      2.146694
  H      -6.911693     -4.085563      1.801560
  H      -8.548672     -4.278224      2.490570
  H      -8.026963     -2.727098      4.204562
  H      -6.703268     -2.931842      5.363672
  H      -6.346932     -2.496673      3.659863
  H      -4.399029     -8.495663      8.804519
  H      -3.199375     -7.251525      9.501530
  H      -3.724539     -7.832815      5.440402
  H      -2.632884     -9.149106      5.876818
  H      -4.306130     -9.146985      6.509133
  H      -1.339406     -6.568529      8.170626
  H      -1.053229     -7.306850      6.598689
  H       0.060905     -5.090961      6.153858
  H      -0.456352     -4.533295      7.759367
  H      -0.850740     -3.574331      6.312377
  H      -4.150393     -4.986814      7.154721
  H      -2.981792     -4.933366      8.489443
  H      -3.048542     -3.582859      7.362041
  N      -4.230654     -2.564108      5.473540
  H      -3.403294     -2.117267      5.879353
  H      -4.745320     -3.003293      6.240743
  H      -4.820731     -1.814685      5.107980
  N      -1.884465     -3.143147      3.891029
  N      -0.938201     -2.510284      3.956537
89
Coordinates from ORCA-job orca E -5532.144864122968
  N      -3.819821     -3.066897      2.096399
  C      -3.691238     -3.947324      0.930914
  C      -2.797029     -5.134998      1.244876
  N      -3.281085     -5.784940      2.483418
  C      -4.558387     -6.515760      2.237528
  C      -5.398609     -6.435463      3.497907
  N      -5.519642     -5.039519      3.918092
  Mo     -3.686444     -4.095713      3.892606
  N      -2.544591     -5.419305      5.146545
  C      -1.562587     -6.045632      4.262696
  C      -2.276914     -6.704397      3.095233
  H      -0.984443     -6.838380      4.771175
  H      -0.808979     -5.325978      3.883342
  H      -2.820775     -7.580723      3.470252
  H      -1.571625     -7.052027      2.321296
  H      -6.366651     -6.922798      3.299919
  H      -4.917567     -7.030136      4.294875
  H      -5.095840     -6.018451      1.421165
  H      -4.341467     -7.553835      1.928512
  H      -3.256278     -3.436740      0.057820
  H      -4.686679     -4.306585      0.596568
  H      -1.771810     -4.787930      1.434366
  H      -2.780120     -5.858831      0.406360
  C      -2.465163      0.905379     -0.156253
  C      -2.043406      0.171527      0.886255
  C      -1.150253      0.760102      1.944541
  C      -2.388735     -1.291699      1.034127
  C      -3.766604     -1.633229      1.723767
  C      -4.919569     -1.314913      0.750031
  C      -3.965597     -0.742302      2.948719
  C      -6.569562     -5.917615      6.972839
  C      -7.564134     -5.250212      6.367710
  C      -8.478853     -4.339431      7.141859
  C      -7.836947     -5.396207      4.891053
  C      -6.916220     -4.565999      3.925798
  C      -7.521011     -4.674586      2.504128
  C      -6.995371     -3.090538      4.316872
  C      -3.555768     -7.822088      8.641028
  C      -2.979917     -7.705070      7.433923
  C      -3.448871     -8.511441      6.260448
  C      -1.813481     -6.784952      7.199742
  C      -2.085836     -5.365670      6.557458
  C      -0.751191     -4.598548      6.700919
  C      -3.132324     -4.673124      7.433020
  H      -2.208458      1.963096     -0.247114
  H      -3.071056      0.472118     -0.954764
  H      -1.558239      0.606350      2.954686
  H      -0.987748      1.835107      1.788423
  H      -0.170935      0.253694      1.935202
  H      -1.601384     -1.788336      1.616841
  H      -2.391077     -1.746789      0.033685
  H      -4.914602     -0.247451      0.487995
  H      -5.882435     -1.555011      1.224447
  H      -4.841744     -1.890280     -0.182768
  H      -4.964158     -0.912589      3.375728
  H      -3.199983     -0.914228      3.713803
  H      -3.921938      0.312668      2.646474
  H      -5.920089     -6.602920      6.426893
  H      -6.376127     -5.805495      8.042140
  H      -9.517107     -4.709398      7.099199
  H      -8.497453     -3.324433      6.714309
  H      -8.182648     -4.268915      8.197455
  H      -7.759753     -6.456191      4.608030
  H      -8.877001     -5.096629      4.683380
  H      -7.560701     -5.713402      2.147445
  H      -6.911934     -4.088703      1.800333
  H      -8.548483     -4.280735      2.490256
  H      -8.026955     -2.728062      4.202300
  H      -6.703573     -2.931214      5.361347
  H      -6.347059     -2.497833      3.657081
  H      -4.401074     -8.493943      8.804874
  H      -3.200023     -7.250825      9.501189
  H      -3.725941     -7.833981      5.440307
  H      -2.635675     -9.150836      5.877873
  H      -4.309090     -9.147154      6.509638
  H      -1.338668     -6.571390      8.169103
  H      -1.054784     -7.309847      6.596861
  H       0.062920     -5.095238      6.153377
  H      -0.453623     -4.537008      7.758850
  H      -0.846573     -3.577295      6.311979
  H      -4.147830     -4.986650      7.156497
  H      -2.977547     -4.931097      8.489480
  H      -3.045489     -3.582719      7.359289
  N      -4.231997     -2.564827      5.474132
  H      -3.405350     -2.117696      5.880795
  H      -4.746921     -3.005114      6.240365
  H      -4.822462     -1.815714      5.108506
  N      -1.884928     -3.141626      3.892622
  N      -0.939686     -2.507466      3.959918
89
Coordinates from ORCA-job orca E -5532.144865980244
  N      -3.819817     -3.066778      2.096686
  C      -3.690931     -3.947177      0.931256
  C      -2.796726     -5.134864      1.245075
  N      -3.280784     -5.784955      2.483434
  C      -4.558018     -6.515850      2.237602
  C      -5.398125     -6.435769      3.498088
  N      -5.519281     -5.039849      3.918317
  Mo     -3.686034     -4.095623      3.893035
  N      -2.543901     -5.419270      5.146547
  C      -1.561992     -6.045403      4.262247
  C      -2.276515     -6.704356      3.095036
  H      -0.983401     -6.837915      4.770521
  H      -0.808889     -5.325360      3.882531
  H      -2.820178     -7.580838      3.469854
  H      -1.571181     -7.051834      2.321041
  H      -6.366091     -6.923192      3.300034
  H      -4.917083     -7.030256      4.295178
  H      -5.095893     -6.018075      1.421779
  H      -4.341023     -7.553659      1.927830
  H      -3.256258     -3.436622      0.058039
  H      -4.686335     -4.306729      0.597042
  H      -1.771463     -4.787892      1.434554
  H      -2.779963     -5.858435      0.406289
  C      -2.465633      0.905222     -0.156433
  C      -2.044010      0.171864      0.886573
  C      -1.151282      0.761159      1.945087
  C      -2.388809     -1.291396      1.034922
  C      -3.766917     -1.633208      1.723904
  C      -4.919327     -1.315451      0.749316
  C      -3.967159     -0.742174      2.948546
  C      -6.569205     -5.916361      6.973744
  C      -7.563883     -5.249487      6.368028
  C      -8.478858     -4.338122      7.141268
  C      -7.836461     -5.396495      4.891419
  C      -6.915864     -4.566418      3.925984
  C      -7.520870     -4.675124      2.504422
  C      -6.995007     -3.090937      4.316918
  C      -3.557987     -7.821219      8.640365
  C      -2.981542     -7.705317      7.433423
  C      -3.449852     -8.512747      6.260456
  C      -1.814252     -6.786091      7.199150
  C      -2.085052     -5.366312      6.557419
  C      -0.749509     -4.600635      6.701032
  C      -3.130728     -4.672414      7.432762
  H      -2.209103      1.962979     -0.247669
  H      -3.071157      0.471711     -0.955272
  H      -1.559179      0.606903      2.955311
  H      -0.989565      1.836315      1.789074
  H      -0.171451      0.255575      1.935733
  H      -1.601442     -1.787355      1.618125
  H      -2.390357     -1.746924      0.034643
  H      -4.914657     -0.247979      0.487265
  H      -5.882460     -1.555821      1.223167
  H      -4.840730     -1.890945     -0.183367
  H      -4.965935     -0.913040      3.374775
  H      -3.202080     -0.913473      3.714336
  H      -3.923628      0.312830      2.646158
  H      -5.919637     -6.602095      6.428213
  H      -6.375906     -5.803239      8.043004
  H      -9.517101     -4.707898      7.098693
  H      -8.497413     -3.323573      6.712819
  H      -8.182819     -4.266476      8.196766
  H      -7.758347     -6.456500      4.609097
  H      -8.876653     -5.097768      4.683600
  H      -7.560997     -5.714059      2.148147
  H      -6.911830     -4.089665      1.800267
  H      -8.548151     -4.280758      2.490620
  H      -8.026800     -2.728723      4.203248
  H      -6.702739     -2.931542      5.361277
  H      -6.347347     -2.498181      3.656604
  H      -4.403761     -8.492521      8.804220
  H      -3.202353     -7.249465      9.500223
  H      -3.726124     -7.836251      5.439124
  H      -2.636326     -9.152500      5.879389
  H      -4.310285     -9.148202      6.509422
  H      -1.338684     -6.573475      8.168319
  H      -1.056529     -7.311594      6.595717
  H       0.064004     -5.098022      6.153452
  H      -0.451892     -4.539888      7.759053
  H      -0.843827     -3.579132      6.312637
  H      -4.146536     -4.985841      7.156661
  H      -2.975930     -4.929038      8.489481
  H      -3.043192     -3.582163      7.357087
  N      -4.232112     -2.564749      5.474201
  H      -3.405756     -2.117140      5.880943
  H      -4.747027     -3.005000      6.240490
  H      -4.822716     -1.815955      5.108211
  N      -1.885353     -3.140533      3.893340
  N      -0.940804     -2.505448      3.961389
