85
Coordinates from ORCA-job orca E -5421.284267978115
  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      -5.192678     -2.619738      6.010160
85
Coordinates from ORCA-job orca E -5421.318355689021
  N      -3.920368     -3.406532      2.651548
  C      -3.920874     -3.998994      1.318130
  C      -3.141400     -5.299126      1.328165
  N      -3.599961     -6.104718      2.461556
  C      -4.828083     -6.855337      2.144427
  C      -5.698931     -6.935117      3.408032
  N      -5.921256     -5.608888      3.948609
  Mo     -4.019701     -4.764534      4.127648
  N      -2.061616     -5.189479      4.494961
  C      -1.478724     -6.250536      3.686929
  C      -2.552485     -7.018243      2.925044
  H      -0.937195     -6.991539      4.301332
  H      -0.735214     -5.844072      2.972318
  H      -3.020276     -7.741128      3.603328
  H      -2.107465     -7.578148      2.082871
  H      -6.629789     -7.470203      3.158967
  H      -5.180983     -7.566800      4.151092
  H      -5.383312     -6.309318      1.377401
  H      -4.588793     -7.858144      1.752222
  H      -3.457546     -3.349698      0.562915
  H      -4.958069     -4.184806      0.981316
  H      -2.086934     -5.051556      1.492500
  H      -3.238467     -5.850293      0.377869
  C      -1.719097      0.411785      1.112767
  C      -1.574813     -0.403009      2.161056
  C      -0.784495      0.016401      3.370375
  C      -2.129850     -1.803680      2.175557
  C      -3.651779     -1.956374      2.533861
  C      -4.550236     -1.302283      1.462264
  C      -3.913646     -1.178016      3.821644
  C      -7.377089     -5.814097      6.860697
  C      -8.310792     -5.351930      6.025580
  C      -9.393905     -4.415401      6.484074
  C      -8.342923     -5.759235      4.578184
  C      -7.252031     -5.071287      3.670179
  C      -7.709694     -5.282034      2.201983
  C      -7.286150     -3.550338      3.884925
  C      -3.244618     -5.444896      8.436636
  C      -2.816823     -5.994010      7.295187
  C      -3.737464     -6.761537      6.399891
  C      -1.400803     -5.863497      6.819646
  C      -1.218561     -4.841462      5.635496
  C       0.288271     -4.813094      5.286171
  C      -1.559723     -3.436782      6.147560
  H      -1.313270      1.419446      1.110849
  H      -2.246591      0.109019      0.213733
  H      -1.352940     -0.145754      4.290857
  H      -0.498949      1.070460      3.310424
  H       0.130784     -0.584831      3.438628
  H      -1.593199     -2.412969      2.913596
  H      -1.970560     -2.252864      1.187259
  H      -4.450691     -0.216175      1.514521
  H      -5.595744     -1.565055      1.650118
  H      -4.294694     -1.614768      0.446046
  H      -4.975222     -1.206751      4.066428
  H      -3.342947     -1.608121      4.638899
  H      -3.623016     -0.132522      3.675604
  H      -6.635033     -6.527594      6.521554
  H      -7.336480     -5.519374      7.905706
  H     -10.357068     -4.941544      6.484793
  H      -9.490799     -3.560445      5.806919
  H      -9.202494     -4.050191      7.497007
  H      -8.194686     -6.844162      4.501341
  H      -9.326820     -5.523175      4.157523
  H      -7.765589     -6.338220      1.922553
  H      -7.021823     -4.769668      1.522802
  H      -8.704704     -4.849872      2.061955
  H      -8.180396     -3.122630      3.417943
  H      -7.294280     -3.286792      4.942243
  H      -6.394603     -3.126801      3.422730
  H      -4.267760     -5.565514      8.782831
  H      -2.581792     -4.880057      9.084664
  H      -3.934725     -6.156756      5.480750
  H      -3.272338     -7.699960      6.076897
  H      -4.682076     -6.987936      6.898890
  H      -0.754227     -5.541525      7.643360
  H      -1.045249     -6.845400      6.476268
  H       0.700418     -5.810377      5.108287
  H       0.842351     -4.363516      6.114370
  H       0.452033     -4.204080      4.391332
  H      -2.636515     -3.339462      6.288495
  H      -1.050820     -3.241546      7.095992
  H      -1.230645     -2.695272      5.414861
  N      -4.750946     -3.400064      5.475466
  H      -5.128935     -2.727312      6.143948
85
Coordinates from ORCA-job orca E -5421.345640524488
  N      -3.925615     -3.394927      2.631456
  C      -3.928931     -4.005346      1.289601
  C      -3.150424     -5.303999      1.305558
  N      -3.610657     -6.111748      2.451141
  C      -4.847765     -6.871851      2.135449
  C      -5.705051     -6.943966      3.400730
  N      -5.922886     -5.604661      3.942436
  Mo     -4.033565     -4.742589      4.124382
  N      -2.073319     -5.183359      4.487404
  C      -1.484361     -6.256198      3.681616
  C      -2.554481     -7.030076      2.925846
  H      -0.943063     -6.992989      4.302512
  H      -0.737313     -5.853068      2.967398
  H      -3.026172     -7.749853      3.608866
  H      -2.110404     -7.596928      2.085335
  H      -6.639266     -7.480509      3.161576
  H      -5.182573     -7.574935      4.144964
  H      -5.404688     -6.327836      1.363266
  H      -4.604730     -7.877024      1.744444
  H      -3.462307     -3.364896      0.528543
  H      -4.968406     -4.190088      0.950498
  H      -2.092109     -5.056868      1.467352
  H      -3.247570     -5.864285      0.358478
  C      -1.663947      0.430180      1.107196
  C      -1.538452     -0.395507      2.160052
  C      -0.750333      0.006473      3.380135
  C      -2.115879     -1.791510      2.166055
  C      -3.645566     -1.930477      2.517033
  C      -4.543717     -1.267068      1.447590
  C      -3.909117     -1.155688      3.810121
  C      -7.377746     -5.853498      6.869869
  C      -8.319078     -5.387492      6.035260
  C      -9.413958     -4.465804      6.505253
  C      -8.345291     -5.776761      4.576703
  C      -7.269760     -5.068120      3.666796
  C      -7.725725     -5.276617      2.196831
  C      -7.321884     -3.546952      3.893361
  C      -3.243843     -5.422456      8.471440
  C      -2.818248     -5.977536      7.325708
  C      -3.747139     -6.753989      6.443754
  C      -1.403491     -5.842522      6.832677
  C      -1.223417     -4.825409      5.641678
  C       0.279836     -4.805512      5.278140
  C      -1.558153     -3.414994      6.150555
  H      -1.240441      1.437754      1.114539
  H      -2.192610      0.134290      0.197819
  H      -1.329994     -0.152679      4.301389
  H      -0.444823      1.060723      3.330397
  H       0.158748     -0.613085      3.457170
  H      -1.587590     -2.410997      2.907411
  H      -1.952637     -2.241624      1.174618
  H      -4.438304     -0.176928      1.505777
  H      -5.595102     -1.526503      1.639166
  H      -4.295246     -1.572716      0.422394
  H      -4.976697     -1.179188      4.055881
  H      -3.346720     -1.584790      4.642832
  H      -3.610431     -0.107340      3.662518
  H      -6.622296     -6.556198      6.519443
  H      -7.338852     -5.566510      7.924149
  H     -10.380002     -4.998749      6.496237
  H      -9.519121     -3.596958      5.837274
  H      -9.228884     -4.109772      7.528107
  H      -8.186191     -6.863345      4.486765
  H      -9.336442     -5.547744      4.156866
  H      -7.770987     -6.336312      1.907223
  H      -7.042989     -4.750562      1.513610
  H      -8.730342     -4.853225      2.061637
  H      -8.230754     -3.130010      3.432445
  H      -7.324740     -3.291035      4.958043
  H      -6.439760     -3.092410      3.431588
  H      -4.273081     -5.544488      8.820393
  H      -2.574352     -4.846631      9.115052
  H      -3.948076     -6.157580      5.517879
  H      -3.285647     -7.696981      6.112793
  H      -4.694800     -6.975555      6.945806
  H      -0.747599     -5.513230      7.651469
  H      -1.046563     -6.830358      6.491145
  H       0.689381     -5.809922      5.100212
  H       0.844078     -4.352476      6.103894
  H       0.441575     -4.197728      4.375127
  H      -2.639463     -3.305163      6.300306
  H      -1.038648     -3.219370      7.099433
  H      -1.228999     -2.670971      5.410390
  N      -4.668774     -3.460029      5.423048
  H      -5.041961     -2.796457      6.104052
85
Coordinates from ORCA-job orca E -5421.362636432845
  N      -3.939923     -3.388548      2.613156
  C      -3.944647     -4.007904      1.269140
  C      -3.160410     -5.303850      1.288840
  N      -3.618792     -6.114341      2.439688
  C      -4.856082     -6.883988      2.124976
  C      -5.706750     -6.952589      3.391540
  N      -5.924062     -5.607512      3.932708
  Mo     -4.055259     -4.719508      4.122884
  N      -2.092477     -5.171331      4.484207
  C      -1.495204     -6.247970      3.681451
  C      -2.557221     -7.029242      2.925023
  H      -0.953370     -6.978717      4.308942
  H      -0.745414     -5.843571      2.971403
  H      -3.033203     -7.746988      3.607956
  H      -2.110453     -7.598705      2.087453
  H      -6.642150     -7.490407      3.159657
  H      -5.182939     -7.579935      4.138708
  H      -5.411571     -6.342808      1.348608
  H      -4.605131     -7.888171      1.734802
  H      -3.477380     -3.368155      0.506650
  H      -4.983801     -4.192088      0.928519
  H      -2.101615     -5.055542      1.451101
  H      -3.254064     -5.869863      0.344354
  C      -1.638699      0.424956      1.113971
  C      -1.525205     -0.406375      2.165781
  C      -0.738915     -0.017670      3.390992
  C      -2.118246     -1.796975      2.164250
  C      -3.648730     -1.922585      2.510974
  C      -4.537290     -1.254080      1.439621
  C      -3.914033     -1.153255      3.807263
  C      -7.370531     -5.889991      6.855722
  C      -8.313429     -5.407938      6.030275
  C      -9.401459     -4.486082      6.515701
  C      -8.344712     -5.779188      4.565330
  C      -7.274346     -5.062959      3.660296
  C      -7.728460     -5.259489      2.189984
  C      -7.319265     -3.545819      3.907761
  C      -3.237257     -5.399746      8.501914
  C      -2.817607     -5.959860      7.354762
  C      -3.752465     -6.747065      6.491818
  C      -1.409369     -5.818314      6.840950
  C      -1.237246     -4.806490      5.646373
  C       0.260108     -4.791421      5.266131
  C      -1.564727     -3.395403      6.153959
  H      -1.204308      1.428896      1.128808
  H      -2.167859      0.134336      0.201795
  H      -1.324029     -0.174996      4.310869
  H      -0.419685      1.033933      3.349793
  H       0.163017     -0.649140      3.473793
  H      -1.596605     -2.424384      2.904730
  H      -1.955197     -2.246588      1.171659
  H      -4.425982     -0.163246      1.499284
  H      -5.591596     -1.508084      1.628652
  H      -4.288998     -1.557775      0.412538
  H      -4.984226     -1.170877      4.052089
  H      -3.361021     -1.581018      4.649715
  H      -3.608549     -0.105856      3.660905
  H      -6.618544     -6.589559      6.490229
  H      -7.322132     -5.613021      7.913741
  H     -10.374395     -5.008942      6.501519
  H      -9.503836     -3.605995      5.859854
  H      -9.213057     -4.143302      7.543622
  H      -8.191146     -6.865802      4.460961
  H      -9.338051     -5.543976      4.150314
  H      -7.774899     -6.317269      1.889866
  H      -7.045405     -4.728922      1.508624
  H      -8.734191     -4.834103      2.057697
  H      -8.231230     -3.121880      3.458365
  H      -7.312735     -3.305216      4.978203
  H      -6.440595     -3.075864      3.449627
  H      -4.266371     -5.525406      8.854562
  H      -2.564738     -4.813055      9.134657
  H      -3.961112     -6.160930      5.560648
  H      -3.293325     -7.690755      6.155423
  H      -4.698136     -6.965916      6.999037
  H      -0.744253     -5.481527      7.650623
  H      -1.051469     -6.807859      6.501643
  H       0.666533     -5.797685      5.085990
  H       0.835174     -4.337351      6.085526
  H       0.415444     -4.185276      4.359606
  H      -2.643492     -3.277783      6.315854
  H      -1.033597     -3.201783      7.098117
  H      -1.240952     -2.649939      5.410433
  N      -4.609480     -3.528945      5.363134
  H      -4.987877     -2.881775      6.053258
85
Coordinates from ORCA-job orca E -5421.369964824396
  N      -3.954862     -3.385982      2.582541
  C      -3.962860     -4.016535      1.245036
  C      -3.170138     -5.308353      1.272755
  N      -3.628435     -6.114424      2.426398
  C      -4.861735     -6.890111      2.111459
  C      -5.714099     -6.949411      3.376310
  N      -5.932496     -5.601222      3.904373
  Mo     -4.085403     -4.684011      4.119883
  N      -2.123040     -5.154288      4.484396
  C      -1.518317     -6.232451      3.689577
  C      -2.569720     -7.021380      2.930431
  H      -0.977256     -6.955389      4.326485
  H      -0.764251     -5.828607      2.984416
  H      -3.055311     -7.732978      3.612854
  H      -2.116412     -7.597287      2.100760
  H      -6.651605     -7.487114      3.152040
  H      -5.192985     -7.569029      4.131699
  H      -5.411938     -6.354360      1.327729
  H      -4.600186     -7.893736      1.726558
  H      -3.497850     -3.378479      0.479568
  H      -5.000456     -4.203673      0.903700
  H      -2.111464     -5.060155      1.435007
  H      -3.259938     -5.881613      0.331959
  C      -1.591900      0.403918      1.133667
  C      -1.498632     -0.437491      2.177241
  C      -0.720300     -0.070968      3.412874
  C      -2.113368     -1.818548      2.158033
  C      -3.644981     -1.926995      2.498685
  C      -4.518640     -1.242114      1.427342
  C      -3.914371     -1.176501      3.804190
  C      -7.353104     -5.980904      6.813998
  C      -8.296590     -5.461362      6.014283
  C      -9.364262     -4.537708      6.536975
  C      -8.344345     -5.788564      4.539626
  C      -7.283163     -5.049245      3.645396
  C      -7.737959     -5.219821      2.174578
  C      -7.322013     -3.541446      3.935558
  C      -3.215418     -5.347063      8.536378
  C      -2.814408     -5.923458      7.391006
  C      -3.764700     -6.725824      6.562252
  C      -1.418198     -5.777253      6.844586
  C      -1.263302     -4.774180      5.643571
  C       0.226801     -4.761821      5.239427
  C      -1.581827     -3.359632      6.140839
  H      -1.144636      1.400959      1.163779
  H      -2.116545      0.126257      0.215967
  H      -1.316792     -0.226325      4.325450
  H      -0.381497      0.974473      3.385967
  H       0.167943     -0.719843      3.504449
  H      -1.602177     -2.460402      2.893041
  H      -1.951351     -2.262705      1.163441
  H      -4.395318     -0.152823      1.492219
  H      -5.576424     -1.483640      1.610812
  H      -4.270337     -1.541310      0.399825
  H      -4.985952     -1.194069      4.046499
  H      -3.367986     -1.610792      4.648170
  H      -3.606667     -0.128893      3.672386
  H      -6.612559     -6.673574      6.415922
  H      -7.281422     -5.728154      7.876311
  H     -10.348216     -5.038031      6.510131
  H      -9.454738     -3.634302      5.912423
  H      -9.165431     -4.231817      7.574168
  H      -8.200804     -6.871854      4.399223
  H      -9.342057     -5.540590      4.142543
  H      -7.780446     -6.271762      1.855900
  H      -7.058693     -4.676046      1.500712
  H      -8.746003     -4.796933      2.049854
  H      -8.246331     -3.107150      3.524886
  H      -7.284498     -3.331653      5.012225
  H      -6.459371     -3.049666      3.468902
  H      -4.241034     -5.465796      8.899748
  H      -2.535426     -4.744500      9.144461
  H      -3.984701     -6.157388      5.621412
  H      -3.314870     -7.674807      6.228450
  H      -4.705837     -6.930175      7.082725
  H      -0.739161     -5.430835      7.638530
  H      -1.059065     -6.767425      6.509898
  H       0.630882     -5.767816      5.058127
  H       0.816085     -4.304333      6.046790
  H       0.369070     -4.159531      4.328979
  H      -2.653358     -3.237696      6.329393
  H      -1.028728     -3.157640      7.069869
  H      -1.276239     -2.619545      5.385027
  N      -4.595230     -3.534943      5.340728
  H      -4.985344     -2.901475      6.035575
85
Coordinates from ORCA-job orca E -5421.377987762266
  N      -3.969435     -3.384213      2.547144
  C      -3.976289     -4.022112      1.212534
  C      -3.179000     -5.314746      1.246084
  N      -3.639040     -6.118621      2.401543
  C      -4.871492     -6.898333      2.087177
  C      -5.728119     -6.950688      3.353115
  N      -5.943975     -5.599978      3.876215
  Mo     -4.117036     -4.646937      4.116833
  N      -2.152313     -5.144025      4.483184
  C      -1.542523     -6.225853      3.692819
  C      -2.583856     -7.019355      2.923453
  H      -1.005736     -6.944058      4.338457
  H      -0.781884     -5.823107      2.994878
  H      -3.080089     -7.726280      3.602726
  H      -2.123033     -7.599878      2.101225
  H      -6.669331     -7.484633      3.135089
  H      -5.210579     -7.567447      4.113135
  H      -5.416446     -6.365363      1.298275
  H      -4.602476     -7.900954      1.705085
  H      -3.510118     -3.383833      0.447674
  H      -5.011354     -4.209228      0.866777
  H      -2.120418     -5.069118      1.410025
  H      -3.264681     -5.892094      0.307085
  C      -1.563011      0.396427      1.167650
  C      -1.486794     -0.455876      2.200183
  C      -0.721185     -0.109701      3.447743
  C      -2.112941     -1.830884      2.157784
  C      -3.646085     -1.931791      2.485036
  C      -4.501862     -1.230931      1.411226
  C      -3.929061     -1.203004      3.798669
  C      -7.315591     -6.021656      6.766861
  C      -8.270807     -5.485241      5.995454
  C      -9.318969     -4.559696      6.549601
  C      -8.344544     -5.794561      4.518832
  C      -7.294122     -5.043388      3.624344
  C      -7.748941     -5.202912      2.155450
  C      -7.329476     -3.543400      3.940317
  C      -3.182192     -5.300564      8.581739
  C      -2.801547     -5.896479      7.440450
  C      -3.764787     -6.720724      6.655937
  C      -1.421319     -5.747449      6.854587
  C      -1.284585     -4.756895      5.642439
  C       0.199094     -4.751366      5.215675
  C      -1.587669     -3.338670      6.131830
  H      -1.109594      1.388488      1.215820
  H      -2.079356      0.130595      0.243542
  H      -1.328500     -0.270558      4.351277
  H      -0.371661      0.931533      3.439048
  H       0.157763     -0.768831      3.546321
  H      -1.611328     -2.485198      2.887690
  H      -1.945365     -2.265941      1.161050
  H      -4.373062     -0.143171      1.485331
  H      -5.562394     -1.465942      1.581775
  H      -4.245224     -1.521211      0.384553
  H      -5.003066     -1.222234      4.030648
  H      -3.394826     -1.645557      4.645626
  H      -3.619614     -0.154987      3.686740
  H      -6.588770     -6.709503      6.339593
  H      -7.209599     -5.777246      7.827626
  H     -10.309254     -5.045670      6.531750
  H      -9.411533     -3.646865      5.940836
  H      -9.100595     -4.269731      7.586606
  H      -8.208490     -6.875252      4.360606
  H      -9.348334     -5.543698      4.139598
  H      -7.787496     -6.252290      1.831151
  H      -7.072371     -4.654282      1.484341
  H      -8.758521     -4.783502      2.032061
  H      -8.260643     -3.104005      3.554291
  H      -7.272890     -3.353916      5.019584
  H      -6.478445     -3.034985      3.469919
  H      -4.202400     -5.417730      8.959364
  H      -2.496686     -4.678155      9.160460
  H      -3.999922     -6.172708      5.706599
  H      -3.320364     -7.673631      6.327331
  H      -4.697499     -6.913420      7.193850
  H      -0.726582     -5.387871      7.628596
  H      -1.061932     -6.739283      6.528203
  H       0.598764     -5.757544      5.034712
  H       0.803094     -4.291304      6.010181
  H       0.329906     -4.154283      4.301477
  H      -2.650831     -3.205495      6.343363
  H      -1.015306     -3.134688      7.047596
  H      -1.292892     -2.604342      5.367871
  N      -4.587575     -3.514778      5.341042
  H      -4.987689     -2.893305      6.040986
85
Coordinates from ORCA-job orca E -5421.382486148815
  N      -3.975080     -3.388816      2.532870
  C      -3.984881     -4.027109      1.208386
  C      -3.176523     -5.311063      1.244459
  N      -3.639173     -6.113902      2.391435
  C      -4.867864     -6.889106      2.075572
  C      -5.725359     -6.938176      3.340419
  N      -5.943123     -5.591718      3.850215
  Mo     -4.133678     -4.629468      4.116678
  N      -2.177760     -5.143092      4.494826
  C      -1.564502     -6.219389      3.710167
  C      -2.597520     -7.010245      2.932276
  H      -1.032392     -6.936651      4.360471
  H      -0.799256     -5.815456      3.018668
  H      -3.106614     -7.711097      3.608144
  H      -2.127879     -7.596730      2.119619
  H      -6.667431     -7.471077      3.126301
  H      -5.208144     -7.550013      4.104282
  H      -5.410301     -6.356689      1.284844
  H      -4.595857     -7.891277      1.695372
  H      -3.526952     -3.384803      0.441898
  H      -5.018424     -4.223380      0.865236
  H      -2.119340     -5.062745      1.411372
  H      -3.256932     -5.887610      0.304530
  C      -1.544301      0.363496      1.141847
  C      -1.473169     -0.482513      2.178311
  C      -0.711351     -0.131557      3.426035
  C      -2.107578     -1.853610      2.142419
  C      -3.638264     -1.943538      2.479068
  C      -4.490993     -1.233809      1.408222
  C      -3.913146     -1.218075      3.794600
  C      -7.315137     -6.118349      6.727734
  C      -8.257014     -5.529231      5.980568
  C      -9.274383     -4.592053      6.569686
  C      -8.344632     -5.789133      4.495959
  C      -7.288830     -5.024561      3.616692
  C      -7.742598     -5.150493      2.146134
  C      -7.305709     -3.534863      3.970546
  C      -3.170943     -5.292996      8.601494
  C      -2.801104     -5.893583      7.459906
  C      -3.769788     -6.729516      6.692748
  C      -1.430884     -5.730042      6.856890
  C      -1.315878     -4.737656      5.648293
  C       0.167342     -4.705380      5.217109
  C      -1.642934     -3.324507      6.132420
  H      -1.087685      1.353632      1.185525
  H      -2.059542      0.093235      0.219190
  H      -1.324417     -0.278489      4.327448
  H      -0.351742      0.905578      3.410274
  H       0.159392     -0.798769      3.537302
  H      -1.604801     -2.509906      2.869553
  H      -1.948971     -2.292932      1.146469
  H      -4.349305     -0.147657      1.477045
  H      -5.553056     -1.454577      1.585424
  H      -4.243071     -1.530272      0.381755
  H      -4.984009     -1.244582      4.037230
  H      -3.367739     -1.655619      4.635617
  H      -3.612410     -0.168019      3.680954
  H      -6.608501     -6.808008      6.271313
  H      -7.191131     -5.907325      7.793114
  H     -10.280316     -5.042260      6.531998
  H      -9.335945     -3.654007      5.997409
  H      -9.048558     -4.349580      7.616741
  H      -8.230333     -6.865589      4.300016
  H      -9.347787     -5.513704      4.132730
  H      -7.784227     -6.193009      1.802681
  H      -7.062346     -4.592611      1.487305
  H      -8.750091     -4.725352      2.028304
  H      -8.248668     -3.082046      3.632760
  H      -7.205149     -3.374569      5.050374
  H      -6.472096     -3.016464      3.480250
  H      -4.186522     -5.413443      8.987274
  H      -2.484905     -4.659123      9.165573
  H      -4.013919     -6.192588      5.742729
  H      -3.327206     -7.684730      6.368888
  H      -4.698144     -6.915993      7.239709
  H      -0.731857     -5.362934      7.623249
  H      -1.061157     -6.716825      6.528351
  H       0.585102     -5.702548      5.031753
  H       0.766117     -4.238162      6.010975
  H       0.284854     -4.101611      4.306258
  H      -2.704268     -3.212767      6.364312
  H      -1.059117     -3.102405      7.036174
  H      -1.378282     -2.588250      5.360634
  N      -4.596659     -3.484471      5.378814
  H      -5.001950     -2.871780      6.083161
85
Coordinates from ORCA-job orca E -5421.385453508477
  N      -3.972321     -3.390022      2.522649
  C      -3.973917     -4.026611      1.205412
  C      -3.158935     -5.302823      1.245872
  N      -3.634267     -6.104343      2.381069
  C      -4.862991     -6.869826      2.059257
  C      -5.724768     -6.917436      3.320076
  N      -5.940436     -5.575824      3.823172
  Mo     -4.147815     -4.611958      4.118117
  N      -2.205612     -5.149719      4.517846
  C      -1.588751     -6.218112      3.735124
  C      -2.612129     -7.001638      2.943222
  H      -1.063876     -6.940092      4.387122
  H      -0.815646     -5.810689      3.054122
  H      -3.137389     -7.697017      3.612412
  H      -2.129885     -7.594450      2.142182
  H      -6.669795     -7.444651      3.103151
  H      -5.212167     -7.531341      4.085339
  H      -5.401668     -6.334677      1.267729
  H      -4.593940     -7.872766      1.678701
  H      -3.522256     -3.378836      0.439461
  H      -5.003937     -4.234682      0.859426
  H      -2.103417     -5.052969      1.420564
  H      -3.231015     -5.876241      0.302700
  C      -1.539699      0.353086      1.105922
  C      -1.476845     -0.475284      2.158554
  C      -0.736629     -0.097443      3.411391
  C      -2.102718     -1.850564      2.136655
  C      -3.635203     -1.943390      2.464008
  C      -4.483230     -1.242341      1.381479
  C      -3.923101     -1.204544      3.767261
  C      -7.303767     -6.159866      6.707703
  C      -8.239376     -5.541982      5.975159
  C      -9.232700     -4.592050      6.584170
  C      -8.341964     -5.779751      4.488345
  C      -7.289565     -5.011150      3.607031
  C      -7.744525     -5.139658      2.138563
  C      -7.310943     -3.525217      3.967537
  C      -3.138764     -5.316962      8.631678
  C      -2.793390     -5.919142      7.482786
  C      -3.777508     -6.754804      6.731067
  C      -1.433721     -5.754871      6.859755
  C      -1.336123     -4.746851      5.666351
  C       0.143605     -4.707009      5.219388
  C      -1.648917     -3.340343      6.174214
  H      -1.090246      1.347261      1.138273
  H      -2.040390      0.062484      0.180989
  H      -1.364578     -0.227183      4.305343
  H      -0.378322      0.939859      3.380570
  H       0.132658     -0.761328      3.551903
  H      -1.599904     -2.495379      2.874662
  H      -1.936118     -2.302273      1.147335
  H      -4.339575     -0.155655      1.436003
  H      -5.546713     -1.458118      1.557782
  H      -4.231915     -1.552828      0.359731
  H      -4.992963     -1.244667      4.008459
  H      -3.372608     -1.620999      4.614221
  H      -3.638624     -0.150808      3.639090
  H      -6.613560     -6.858235      6.237240
  H      -7.166059     -5.961847      7.773801
  H     -10.249741     -5.016284      6.539033
  H      -9.272382     -3.641284      6.031032
  H      -8.999494     -4.375912      7.635433
  H      -8.239651     -6.854367      4.275310
  H      -9.346957     -5.493409      4.138099
  H      -7.778636     -6.184600      1.799993
  H      -7.066343     -4.580718      1.478598
  H      -8.754778     -4.721527      2.018906
  H      -8.273138     -3.083774      3.669092
  H      -7.168947     -3.371298      5.042609
  H      -6.505390     -2.993450      3.446048
  H      -4.146602     -5.436478      9.036106
  H      -2.440722     -4.683846      9.182048
  H      -4.031003     -6.225111      5.782941
  H      -3.344917     -7.716648      6.412046
  H      -4.700052     -6.929437      7.292393
  H      -0.721126     -5.400849      7.620267
  H      -1.070028     -6.738164      6.514032
  H       0.560158     -5.700803      5.012281
  H       0.751357     -4.253724      6.014504
  H       0.250328     -4.085990      4.318462
  H      -2.701357     -3.232077      6.445510
  H      -1.033721     -3.128146      7.060247
  H      -1.409659     -2.595166      5.402867
  N      -4.597111     -3.469028      5.403129
  H      -5.005859     -2.863446      6.111224
85
Coordinates from ORCA-job orca E -5421.387711947797
  N      -3.973720     -3.388602      2.510416
  C      -3.966861     -4.022610      1.194823
  C      -3.147818     -5.295405      1.238491
  N      -3.633032     -6.096150      2.365912
  C      -4.863900     -6.855441      2.043108
  C      -5.727946     -6.900310      3.303066
  N      -5.939125     -5.558015      3.799972
  Mo     -4.160887     -4.595806      4.115331
  N      -2.234393     -5.153595      4.536070
  C      -1.610434     -6.214758      3.751975
  C      -2.625134     -6.994232      2.947371
  H      -1.088551     -6.941732      4.401643
  H      -0.832902     -5.801895      3.078943
  H      -3.161608     -7.685480      3.612018
  H      -2.130029     -7.593741      2.158223
  H      -6.675102     -7.423485      3.084625
  H      -5.218351     -7.516551      4.068772
  H      -5.403108     -6.320182      1.251908
  H      -4.600524     -7.860560      1.663023
  H      -3.520722     -3.371014      0.428930
  H      -4.994591     -4.240926      0.845851
  H      -2.093706     -5.043785      1.419542
  H      -3.212496     -5.865228      0.291667
  C      -1.512764      0.336722      1.079981
  C      -1.461351     -0.486325      2.139184
  C      -0.727078     -0.105762      3.395051
  C      -2.095405     -1.857718      2.121274
  C      -3.628405     -1.940043      2.448193
  C      -4.473894     -1.232536      1.365070
  C      -3.912171     -1.193516      3.747375
  C      -7.295797     -6.209983      6.691274
  C      -8.224321     -5.562566      5.973583
  C      -9.195709     -4.604150      6.604842
  C      -8.341518     -5.775965      4.484557
  C      -7.295275     -5.000301      3.602031
  C      -7.754138     -5.128814      2.134721
  C      -7.327287     -3.516832      3.966728
  C      -3.117208     -5.335961      8.658691
  C      -2.784790     -5.938360      7.505496
  C      -3.770909     -6.788359      6.768822
  C      -1.434708     -5.758436      6.866091
  C      -1.362991     -4.739873      5.679560
  C       0.116321     -4.664121      5.226947
  C      -1.697284     -3.343151      6.200347
  H      -1.056834      1.328539      1.108111
  H      -2.009819      0.042985      0.153478
  H      -1.363400     -0.222435      4.285314
  H      -0.358242      0.927910      3.358370
  H       0.134519     -0.777475      3.547510
  H      -1.595908     -2.503406      2.861371
  H      -1.932458     -2.314452      1.133135
  H      -4.317377     -0.147357      1.412877
  H      -5.539301     -1.435232      1.547236
  H      -4.230812     -1.551256      0.343442
  H      -4.980057     -1.238393      3.994616
  H      -3.354449     -1.602189      4.594069
  H      -3.634141     -0.138618      3.610423
  H      -6.622432     -6.917763      6.208709
  H      -7.150256     -6.030456      7.759750
  H     -10.222182     -5.004909      6.551368
  H      -9.215027     -3.639919      6.073884
  H      -8.956394     -4.417518      7.660611
  H      -8.247418     -6.848329      4.253984
  H      -9.348139     -5.479651      4.146814
  H      -7.780498     -6.174784      1.797845
  H      -7.079231     -4.565984      1.474197
  H      -8.767828     -4.718276      2.015943
  H      -8.308291     -3.092663      3.704909
  H      -7.147261     -3.365936      5.036010
  H      -6.551868     -2.970147      3.415039
  H      -4.116778     -5.465789      9.080979
  H      -2.416258     -4.694735      9.196463
  H      -4.039164     -6.270412      5.821315
  H      -3.334243     -7.752775      6.461968
  H      -4.685096     -6.961746      7.345298
  H      -0.716117     -5.404606      7.621544
  H      -1.064066     -6.735530      6.510399
  H       0.553990     -5.646139      5.006899
  H       0.716913     -4.207530      6.025677
  H       0.206146     -4.029196      4.333235
  H      -2.745203     -3.261215      6.501660
  H      -1.063002     -3.121482      7.070809
  H      -1.495064     -2.588430      5.426836
  N      -4.588579     -3.460701      5.417106
  H      -4.993452     -2.858559      6.130655
85
Coordinates from ORCA-job orca E -5421.389530279359
  N      -3.976105     -3.384655      2.494769
  C      -3.956134     -4.020605      1.178499
  C      -3.132398     -5.291146      1.231293
  N      -3.628932     -6.088792      2.354745
  C      -4.860881     -6.846307      2.030125
  C      -5.731482     -6.886281      3.286886
  N      -5.940473     -5.537964      3.774793
  Mo     -4.175730     -4.577445      4.108954
  N      -2.264746     -5.149562      4.559209
  C      -1.628544     -6.202594      3.772549
  C      -2.631875     -6.984828      2.956884
  H      -1.104950     -6.931862      4.419137
  H      -0.849003     -5.780399      3.107341
  H      -3.176549     -7.672416      3.618686
  H      -2.121748     -7.591263      2.181918
  H      -6.677847     -7.408554      3.064074
  H      -5.226807     -7.502181      4.056276
  H      -5.399805     -6.314086      1.236451
  H      -4.601964     -7.854596      1.654132
  H      -3.514777     -3.368164      0.411020
  H      -4.981084     -4.250932      0.825885
  H      -2.080762     -5.035210      1.421860
  H      -3.185680     -5.860479      0.282884
  C      -1.490273      0.328522      1.058055
  C      -1.455857     -0.485246      2.126135
  C      -0.737588     -0.095485      3.388979
  C      -2.092893     -1.855131      2.111848
  C      -3.629097     -1.932712      2.425298
  C      -4.465471     -1.230163      1.331005
  C      -3.924226     -1.176575      3.717167
  C      -7.282150     -6.246882      6.677007
  C      -8.204815     -5.575318      5.972617
  C      -9.154176     -4.608243      6.625028
  C      -8.339928     -5.769484      4.482590
  C      -7.303743     -4.989203      3.594012
  C      -7.772153     -5.117766      2.128125
  C      -7.341086     -3.505412      3.958824
  C      -3.091217     -5.364555      8.690196
  C      -2.776825     -5.963299      7.529860
  C      -3.767866     -6.823045      6.808009
  C      -1.435895     -5.773683      6.872389
  C      -1.384113     -4.738078      5.697799
  C       0.089738     -4.652972      5.226469
  C      -1.711523     -3.349979      6.246964
  H      -1.031612      1.319651      1.082366
  H      -1.975693      0.027528      0.127134
  H      -1.387914     -0.198765      4.271068
  H      -0.361699      0.935738      3.345671
  H       0.117875     -0.771044      3.560381
  H      -1.601166     -2.496391      2.861244
  H      -1.922554     -2.319487      1.128200
  H      -4.300538     -0.145801      1.368463
  H      -5.533197     -1.424056      1.511088
  H      -4.220979     -1.561570      0.313124
  H      -4.992912     -1.230564      3.960258
  H      -3.366262     -1.574427      4.569873
  H      -3.655600     -0.120136      3.572613
  H      -6.623731     -6.964866      6.187415
  H      -7.131603     -6.081392      7.747296
  H     -10.188921     -4.987434      6.566813
  H      -9.155001     -3.632935      6.113800
  H      -8.907531     -4.448262      7.683773
  H      -8.253069     -6.840114      4.238825
  H      -9.348298     -5.463765      4.158397
  H      -7.796163     -6.164076      1.791685
  H      -7.100998     -4.552665      1.464970
  H      -8.788255     -4.711137      2.014341
  H      -8.338660     -3.097449      3.736363
  H      -7.118735     -3.352228      5.020071
  H      -6.597283     -2.948831      3.373010
  H      -4.081126     -5.500851      9.133878
  H      -2.382905     -4.721201      9.216497
  H      -4.051231     -6.317274      5.860962
  H      -3.328666     -7.791101      6.515630
  H      -4.672754     -6.993903      7.401504
  H      -0.705945     -5.431465      7.622632
  H      -1.069325     -6.745694      6.498757
  H       0.524910     -5.631416      4.983489
  H       0.699418     -4.210012      6.025921
  H       0.166958     -4.002416      4.342206
  H      -2.746936     -3.281570      6.590820
  H      -1.044751     -3.135595      7.095179
  H      -1.543958     -2.583240      5.476284
  N      -4.594690     -3.446320      5.414730
  H      -4.995769     -2.840546      6.127882
85
Coordinates from ORCA-job orca E -5421.392858585693
  N      -3.989919     -3.377062      2.482406
  C      -3.975774     -4.022237      1.168422
  C      -3.149492     -5.294995      1.223351
  N      -3.635889     -6.091515      2.351645
  C      -4.862898     -6.858148      2.039157
  C      -5.727126     -6.886549      3.297052
  N      -5.933340     -5.529859      3.761177
  Mo     -4.181124     -4.557940      4.102126
  N      -2.278238     -5.133281      4.563723
  C      -1.635207     -6.178293      3.770080
  C      -2.632622     -6.973864      2.960851
  H      -1.099701     -6.903349      4.410852
  H      -0.865094     -5.746620      3.101728
  H      -3.170463     -7.659732      3.628075
  H      -2.116971     -7.584468      2.192614
  H      -6.673561     -7.411515      3.082019
  H      -5.221143     -7.491560      4.073951
  H      -5.408871     -6.336529      1.243236
  H      -4.602246     -7.869406      1.672120
  H      -3.543378     -3.374153      0.393023
  H      -5.002462     -4.258197      0.825000
  H      -2.098054     -5.035175      1.408345
  H      -3.204323     -5.866858      0.276699
  C      -1.474142      0.327501      1.065966
  C      -1.443003     -0.498482      2.122593
  C      -0.709702     -0.132429      3.383037
  C      -2.097899     -1.860357      2.096131
  C      -3.633120     -1.927161      2.420382
  C      -4.470869     -1.205040      1.340741
  C      -3.914075     -1.189034      3.725114
  C      -7.303582     -6.212332      6.683782
  C      -8.210107     -5.551729      5.960766
  C      -9.160590     -4.578355      6.588903
  C      -8.333757     -5.762381      4.478628
  C      -7.299922     -4.990338      3.584573
  C      -7.767788     -5.138360      2.121549
  C      -7.339899     -3.504853      3.931004
  C      -3.044575     -5.404210      8.711695
  C      -2.746729     -5.988438      7.538436
  C      -3.738396     -6.859614      6.825908
  C      -1.417098     -5.771704      6.860984
  C      -1.395216     -4.717195      5.699126
  C       0.075293     -4.597995      5.219030
  C      -1.746589     -3.342501      6.269312
  H      -1.001602      1.312542      1.098361
  H      -1.970055      0.042651      0.136388
  H      -1.355498     -0.236429      4.266649
  H      -0.317447      0.893718      3.349089
  H       0.135864     -0.821217      3.540629
  H      -1.606700     -2.515523      2.832784
  H      -1.941049     -2.314570      1.106416
  H      -4.290221     -0.123529      1.386534
  H      -5.539860     -1.386978      1.529364
  H      -4.241311     -1.530221      0.317799
  H      -4.980791     -1.247040      3.978725
  H      -3.348962     -1.599274      4.565380
  H      -3.645517     -0.132211      3.593557
  H      -6.635698     -6.932881      6.222910
  H      -7.179040     -6.034399      7.748491
  H     -10.197539     -4.949703      6.520445
  H      -9.144166     -3.610779      6.073129
  H      -8.929167     -4.413491      7.644882
  H      -8.246155     -6.831383      4.247340
  H      -9.340673     -5.464071      4.148329
  H      -7.789669     -6.187864      1.799012
  H      -7.096053     -4.581620      1.453842
  H      -8.784303     -4.735676      2.000405
  H      -8.346816     -3.112154      3.726065
  H      -7.092022     -3.337264      4.983480
  H      -6.614748     -2.948173      3.321889
  H      -4.020963     -5.558399      9.180721
  H      -2.331053     -4.757315      9.227350
  H      -4.039345     -6.359603      5.883555
  H      -3.290545     -7.824106      6.534465
  H      -4.636753     -7.039801      7.428459
  H      -0.680689     -5.432304      7.606739
  H      -1.041514     -6.733766      6.468580
  H       0.528116     -5.565117      4.959190
  H       0.680678     -4.155979      6.022521
  H       0.135451     -3.932250      4.343059
  H      -2.777810     -3.302158      6.638003
  H      -1.065171     -3.124162      7.106247
  H      -1.614299     -2.561674      5.501848
  N      -4.638839     -3.495629      5.445985
  H      -5.055105     -2.916001      6.177433
85
Coordinates from ORCA-job orca E -5421.395015873780
  N      -3.975589     -3.367272      2.450197
  C      -3.960498     -4.032908      1.142677
  C      -3.149343     -5.316738      1.217342
  N      -3.647248     -6.099111      2.353673
  C      -4.875944     -6.859088      2.040269
  C      -5.745489     -6.860830      3.288917
  N      -5.934168     -5.493503      3.734972
  Mo     -4.178796     -4.526839      4.083124
  N      -2.289679     -5.121005      4.572437
  C      -1.648216     -6.173427      3.783235
  C      -2.646841     -6.976133      2.979157
  H      -1.115174     -6.895946      4.428531
  H      -0.877067     -5.747498      3.113322
  H      -3.189289     -7.652201      3.654070
  H      -2.128784     -7.598958      2.222444
  H      -6.696943     -7.377142      3.076351
  H      -5.251214     -7.461373      4.076451
  H      -5.412164     -6.340879      1.235162
  H      -4.623380     -7.876496      1.686249
  H      -3.521265     -3.399764      0.359217
  H      -4.988382     -4.263913      0.801580
  H      -2.096658     -5.064182      1.406323
  H      -3.203906     -5.897647      0.276724
  C      -1.437426      0.321562      1.032460
  C      -1.423085     -0.497151      2.098337
  C      -0.709268     -0.124081      3.369919
  C      -2.078156     -1.858232      2.073766
  C      -3.615840     -1.922049      2.382652
  C      -4.438206     -1.203836      1.289420
  C      -3.913836     -1.188484      3.688273
  C      -7.271071     -6.335251      6.656893
  C      -8.178685     -5.612443      5.968971
  C      -9.113570     -4.653122      6.671938
  C      -8.325350     -5.745020      4.462568
  C      -7.300697     -4.946706      3.577123
  C      -7.780682     -5.060178      2.111193
  C      -7.337632     -3.462867      3.956962
  C      -3.050176     -5.396768      8.728401
  C      -2.759520     -5.983407      7.555742
  C      -3.743454     -6.870629      6.849930
  C      -1.435277     -5.755028      6.875340
  C      -1.414924     -4.702314      5.712549
  C       0.056499     -4.572981      5.247501
  C      -1.785672     -3.331637      6.275242
  H      -0.965119      1.305684      1.063384
  H      -1.919051      0.030895      0.095755
  H      -1.370321     -0.217618      4.246679
  H      -0.313728      0.899958      3.331560
  H       0.132808     -0.816828      3.547206
  H      -1.595919     -2.510581      2.820651
  H      -1.910277     -2.317567      1.087023
  H      -4.254000     -0.122152      1.330316
  H      -5.508318     -1.380882      1.467661
  H      -4.198655     -1.536182      0.270654
  H      -4.982412     -1.252546      3.930075
  H      -3.355947     -1.602455      4.534859
  H      -3.648882     -0.129799      3.565203
  H      -6.605031     -7.045835      6.152718
  H      -7.147578     -6.221565      7.742405
  H     -10.156177     -5.008502      6.580761
  H      -9.088961     -3.638357      6.215567
  H      -8.870178     -4.560596      7.751452
  H      -8.247472     -6.813255      4.178384
  H      -9.335813     -5.419393      4.157548
  H      -7.806528     -6.103743      1.762960
  H      -7.113255     -4.487521      1.449371
  H      -8.797512     -4.652454      2.009353
  H      -8.347702     -3.062800      3.778504
  H      -7.071841     -3.315133      5.011293
  H      -6.624535     -2.895714      3.343503
  H      -4.015162     -5.554819      9.214133
  H      -2.334626     -4.743552      9.232889
  H      -4.046645     -6.383915      5.905200
  H      -3.285898     -7.834638      6.573156
  H      -4.643695     -7.053364      7.449754
  H      -0.702360     -5.410102      7.620311
  H      -1.054395     -6.713650      6.484163
  H       0.515958     -5.535455      4.993616
  H       0.650378     -4.126439      6.056171
  H       0.121897     -3.909769      4.373541
  H      -2.814640     -3.305606      6.635787
  H      -1.114068     -3.100828      7.111313
  H      -1.660393     -2.554005      5.509712
  N      -4.694859     -3.526467      5.441553
  H      -5.133725     -2.971092      6.177606
85
Coordinates from ORCA-job orca E -5410.765993108736
  N      -3.958846     -3.367127      2.433095
  C      -3.949413     -4.044094      1.130550
  C      -3.151273     -5.337404      1.212926
  N      -3.654514     -6.114995      2.355224
  C      -4.885800     -6.869483      2.050134
  C      -5.751430     -6.847584      3.300012
  N      -5.925092     -5.469561      3.723173
  Mo     -4.162216     -4.509840      4.073282
  N      -2.287331     -5.133791      4.572891
  C      -1.649694     -6.182066      3.774176
  C      -2.654468     -6.988990      2.983632
  H      -1.106934     -6.903664      4.412200
  H      -0.888240     -5.750799      3.096397
  H      -3.195912     -7.658434      3.667460
  H      -2.140683     -7.619979      2.232516
  H      -6.708030     -7.356435      3.094743
  H      -5.263554     -7.442234      4.096343
  H      -5.419804     -6.355027      1.240924
  H      -4.641299     -7.892159      1.705629
  H      -3.510047     -3.418276      0.339496
  H      -4.980810     -4.271174      0.798648
  H      -2.096342     -5.091761      1.401109
  H      -3.210500     -5.920256      0.274159
  C      -1.465736      0.358916      1.066613
  C      -1.453579     -0.462777      2.129491
  C      -0.778214     -0.081850      3.422159
  C      -2.076557     -1.832706      2.085141
  C      -3.613390     -1.924429      2.367746
  C      -4.428473     -1.219403      1.263124
  C      -3.945488     -1.211910      3.676860
  C      -7.252629     -6.215107      6.664339
  C      -8.163190     -5.530254      5.958664
  C      -9.100773     -4.557038      6.623695
  C      -8.310834     -5.716330      4.470737
  C      -7.298383     -4.936799      3.562097
  C      -7.783474     -5.098909      2.104240
  C      -7.362401     -3.445778      3.892093
  C      -2.982152     -5.461846      8.753485
  C      -2.715821     -6.033246      7.568148
  C      -3.703141     -6.927585      6.877381
  C      -1.406742     -5.788128      6.863473
  C      -1.408191     -4.723968      5.710600
  C       0.056219     -4.580069      5.231646
  C      -1.792792     -3.365082      6.290609
  H      -1.018857      1.349880      1.113118
  H      -1.921963      0.064271      0.116880
  H      -1.455543     -0.190344      4.282889
  H      -0.404923      0.945381      3.396041
  H       0.072889     -0.756800      3.619367
  H      -1.593923     -2.479239      2.837575
  H      -1.885925     -2.281279      1.098302
  H      -4.255208     -0.137067      1.301271
  H      -5.496433     -1.405646      1.428080
  H      -4.173156     -1.554360      0.249086
  H      -5.014692     -1.303330      3.900314
  H      -3.390546     -1.626555      4.528898
  H      -3.702780     -0.146397      3.573147
  H      -6.577444     -6.934839      6.195239
  H      -7.139653     -6.062468      7.740388
  H     -10.140186     -4.911276      6.556375
  H      -9.078770     -3.577011      6.133806
  H      -8.858195     -4.421526      7.682693
  H      -8.221164     -6.784016      4.227482
  H      -9.325559     -5.416028      4.160399
  H      -7.800848     -6.151308      1.787364
  H      -7.122800     -4.540509      1.425924
  H      -8.805344     -4.704134      1.992839
  H      -8.380798     -3.082326      3.712883
  H      -7.091660     -3.258835      4.928739
  H      -6.669636     -2.877342      3.258757
  H      -3.929494     -5.631314      9.267856
  H      -2.257577     -4.810120      9.245387
  H      -4.022950     -6.449165      5.936613
  H      -3.240182     -7.890583      6.604437
  H      -4.594448     -7.115117      7.490215
  H      -0.662133     -5.448349      7.600121
  H      -1.028515     -6.739396      6.454010
  H       0.517677     -5.536750      4.960171
  H       0.656402     -4.140647      6.040906
  H       0.108372     -3.907353      4.364513
  H      -2.815719     -3.359437      6.665004
  H      -1.112667     -3.128153      7.118056
  H      -1.692297     -2.582732      5.530284
  N      -4.689556     -3.572605      5.472241
  H      -5.132524     -3.047859      6.222625
85
Coordinates from ORCA-job orca E -5410.853801627258
  N      -3.940356     -3.365334      2.413684
  C      -3.930148     -4.045130      1.112064
  C      -3.143577     -5.346060      1.212500
  N      -3.657026     -6.122557      2.360565
  C      -4.889943     -6.872832      2.055547
  C      -5.755596     -6.832498      3.305307
  N      -5.916989     -5.444287      3.710566
  Mo     -4.143363     -4.492299      4.067105
  N      -2.286555     -5.139584      4.576557
  C      -1.648578     -6.185452      3.770969
  C      -2.656460     -6.995947      2.990198
  H      -1.098433     -6.903106      4.405518
  H      -0.893631     -5.747804      3.088861
  H      -3.198347     -7.660795      3.680038
  H      -2.145867     -7.631382      2.243359
  H      -6.715360     -7.332846      3.103715
  H      -5.276639     -7.422944      4.109995
  H      -5.419487     -6.361174      1.241246
  H      -4.649861     -7.898504      1.718549
  H      -3.481737     -3.427848      0.316777
  H      -4.964079     -4.263854      0.785824
  H      -2.086900     -5.107005      1.404247
  H      -3.203543     -5.928931      0.275248
  C      -1.540319      0.403900      1.104086
  C      -1.497957     -0.428656      2.149323
  C      -0.821446     -0.056655      3.443425
  C      -2.080912     -1.809922      2.071794
  C      -3.598189     -1.935706      2.351436
  C      -4.415717     -1.229645      1.283801
  C      -3.930321     -1.272721      3.662572
  C      -7.241123     -6.073267      6.678954
  C      -8.151211     -5.441783      5.946092
  C      -9.097397     -4.456396      6.553662
  C      -8.297060     -5.695834      4.483542
  C      -7.301927     -4.932704      3.549571
  C      -7.785815     -5.145217      2.099166
  C      -7.407963     -3.436586      3.832422
  C      -2.926282     -5.529569      8.776582
  C      -2.677710     -6.083599      7.581281
  C      -3.661915     -6.989577      6.903795
  C      -1.382551     -5.816512      6.855482
  C      -1.406502     -4.738635      5.715549
  C       0.048515     -4.576259      5.217344
  C      -1.808902     -3.394931      6.319501
  H      -1.115471      1.401623      1.164485
  H      -1.993419      0.113063      0.152035
  H      -1.483267     -0.193611      4.304805
  H      -0.472169      0.975004      3.435057
  H       0.042145     -0.709884      3.620392
  H      -1.594062     -2.463785      2.809257
  H      -1.903622     -2.233539      1.076136
  H      -4.238661     -0.152692      1.344635
  H      -5.476384     -1.430841      1.461076
  H      -4.156260     -1.559345      0.272838
  H      -4.995576     -1.399708      3.874150
  H      -3.361703     -1.715437      4.484279
  H      -3.700881     -0.204323      3.586148
  H      -6.555406     -6.803497      6.263129
  H      -7.145784     -5.866714      7.738859
  H     -10.133722     -4.811321      6.502046
  H      -9.072696     -3.517448      6.024795
  H      -8.866641     -4.271184      7.589197
  H      -8.192930     -6.760720      4.288774
  H      -9.315932     -5.427077      4.168431
  H      -7.787806     -6.205354      1.810865
  H      -7.134523     -4.595095      1.405461
  H      -8.814596     -4.770033      1.979105
  H      -8.440413     -3.116202      3.660343
  H      -7.130969     -3.210492      4.853226
  H      -6.744057     -2.859828      3.171922
  H      -3.855970     -5.715804      9.316728
  H      -2.197330     -4.876745      9.259210
  H      -3.996861     -6.522183      5.965279
  H      -3.188345     -7.949534      6.637213
  H      -4.545008     -7.185546      7.525773
  H      -0.628555     -5.479280      7.583966
  H      -1.003076     -6.758698      6.426956
  H       0.513010     -5.526488      4.924235
  H       0.656842     -4.145020      6.025828
  H       0.084143     -3.891075      4.357096
  H      -2.826693     -3.416362      6.714498
  H      -1.117167     -3.149708      7.137966
  H      -1.739758     -2.603391      5.563908
  N      -4.682327     -3.611317      5.501763
  H      -5.129623     -3.114081      6.261675
85
Coordinates from ORCA-job orca E -5421.386785292428
  N      -3.958641     -3.348381      2.391856
  C      -3.944396     -4.028832      1.091127
  C      -3.154692     -5.329374      1.206998
  N      -3.667589     -6.108970      2.359514
  C      -4.894179     -6.867855      2.056440
  C      -5.758893     -6.819823      3.307215
  N      -5.922602     -5.424809      3.694769
  Mo     -4.152791     -4.459072      4.057931
  N      -2.309960     -5.108282      4.576750
  C      -1.659216     -6.144258      3.765021
  C      -2.659438     -6.970064      2.992554
  H      -1.093455     -6.851362      4.395611
  H      -0.915673     -5.691351      3.079774
  H      -3.195390     -7.634504      3.687473
  H      -2.143616     -7.605814      2.251543
  H      -6.716424     -7.321738      3.110200
  H      -5.281271     -7.400877      4.119006
  H      -5.426281     -6.365282      1.238120
  H      -4.647954     -7.894071      1.726788
  H      -3.493180     -3.415764      0.292120
  H      -4.979032     -4.247875      0.770235
  H      -2.098629     -5.085958      1.400225
  H      -3.210501     -5.912309      0.270732
  C      -1.512612      0.393998      1.147070
  C      -1.464673     -0.458287      2.167716
  C      -0.758450     -0.128634      3.454203
  C      -2.071493     -1.831617      2.058072
  C      -3.582994     -1.935824      2.334115
  C      -4.379547     -1.200882      1.291229
  C      -3.903600     -1.303563      3.648562
  C      -7.226882     -6.006245      6.688243
  C      -8.143458     -5.419160      5.944969
  C      -9.102216     -4.438836      6.519694
  C      -8.292466     -5.715802      4.502677
  C      -7.324648     -4.946573      3.547166
  C      -7.808258     -5.197351      2.104072
  C      -7.484671     -3.450518      3.803747
  C      -2.884509     -5.567126      8.791136
  C      -2.650330     -6.100050      7.585410
  C      -3.625733     -7.024524      6.921143
  C      -1.371300     -5.799414      6.838253
  C      -1.430826     -4.704720      5.714514
  C       0.012639     -4.505716      5.194203
  C      -1.862023     -3.381846      6.345948
  H      -1.066497      1.383409      1.220690
  H      -1.985850      0.130066      0.199767
  H      -1.404890     -0.274906      4.320792
  H      -0.390092      0.897289      3.465446
  H       0.094633     -0.796172      3.597059
  H      -1.605152     -2.514047      2.778012
  H      -1.920008     -2.237617      1.054622
  H      -4.165468     -0.132960      1.371210
  H      -5.442665     -1.383290      1.477354
  H      -4.120028     -1.537684      0.285360
  H      -4.969807     -1.431830      3.845692
  H      -3.340513     -1.785963      4.442619
  H      -3.655569     -0.240274      3.594880
  H      -6.529993     -6.735805      6.306692
  H      -7.143985     -5.765828      7.735053
  H     -10.131856     -4.801290      6.481302
  H      -9.084252     -3.529535      5.969150
  H      -8.880810     -4.222214      7.535753
  H      -8.167321     -6.774683      4.335836
  H      -9.318887     -5.478168      4.194496
  H      -7.783947     -6.262415      1.833356
  H      -7.173497     -4.641191      1.398129
  H      -8.848354     -4.850985      1.983862
  H      -8.536512     -3.176390      3.654620
  H      -7.194676     -3.198824      4.811551
  H      -6.859870     -2.852819      3.112619
  H      -3.794837     -5.779755      9.355405
  H      -2.156192     -4.908341      9.265088
  H      -3.980094     -6.569998      5.985040
  H      -3.135501     -7.977738      6.660965
  H      -4.497815     -7.234512      7.553533
  H      -0.609748     -5.460640      7.558055
  H      -0.982538     -6.728315      6.388725
  H       0.491001     -5.443272      4.876405
  H       0.625333     -4.077969      6.001425
  H       0.022175     -3.804575      4.342702
  H      -2.871389     -3.442037      6.769761
  H      -1.155182     -3.123453      7.151256
  H      -1.838006     -2.578266      5.595002
  N      -4.706739     -3.634613      5.523919
  H      -5.159451     -3.165190      6.294003
85
Coordinates from ORCA-job orca E -5421.389205896826
  N      -3.982445     -3.344491      2.389050
  C      -3.959665     -4.028923      1.091471
  C      -3.157390     -5.321709      1.214413
  N      -3.668883     -6.101489      2.364552
  C      -4.889911     -6.867301      2.058953
  C      -5.761968     -6.819796      3.305926
  N      -5.930896     -5.424651      3.687426
  Mo     -4.170924     -4.446843      4.062544
  N      -2.329624     -5.089139      4.586543
  C      -1.668317     -6.115665      3.772311
  C      -2.660011     -6.953746      3.005169
  H      -1.088718     -6.814035      4.399478
  H      -0.935485     -5.652273      3.083392
  H      -3.193375     -7.615336      3.702870
  H      -2.138010     -7.592009      2.269584
  H      -6.716971     -7.323621      3.104246
  H      -5.287963     -7.398451      4.121813
  H      -5.421295     -6.370922      1.236497
  H      -4.636381     -7.893564      1.733950
  H      -3.510948     -3.415652      0.291814
  H      -4.992338     -4.257900      0.768588
  H      -2.104234     -5.069771      1.410930
  H      -3.204500     -5.906802      0.278388
  C      -1.469990      0.362778      1.126288
  C      -1.445786     -0.485944      2.156016
  C      -0.739277     -0.160025      3.442200
  C      -2.075223     -1.853260      2.053012
  C      -3.590912     -1.934461      2.327165
  C      -4.375151     -1.191986      1.281588
  C      -3.907400     -1.293165      3.638463
  C      -7.286196     -6.095583      6.681532
  C      -8.168600     -5.452796      5.934039
  C      -9.094122     -4.444759      6.516059
  C      -8.316643     -5.715398      4.481099
  C      -7.332021     -4.944117      3.544250
  C      -7.804365     -5.173204      2.092452
  C      -7.477493     -3.449814      3.819702
  C      -2.834988     -5.584414      8.814239
  C      -2.619223     -6.104114      7.597750
  C      -3.600674     -7.035304      6.948390
  C      -1.354138     -5.786696      6.828133
  C      -1.444525     -4.678073      5.717974
  C      -0.009445     -4.451178      5.177085
  C      -1.885654     -3.368284      6.373203
  H      -1.003609      1.347316      1.193391
  H      -1.940401      0.099970      0.178177
  H      -1.397767     -0.280680      4.309295
  H      -0.342796      0.861800      3.442211
  H       0.098458     -0.851545      3.596191
  H      -1.622521     -2.541112      2.777145
  H      -1.928868     -2.269097      1.051323
  H      -4.138828     -0.125521      1.352140
  H      -5.443341     -1.353671      1.474349
  H      -4.122462     -1.544893      0.277741
  H      -4.975675     -1.412888      3.835435
  H      -3.349993     -1.779185      4.433515
  H      -3.649336     -0.231422      3.580430
  H      -6.621282     -6.849844      6.295598
  H      -7.204743     -5.877907      7.734882
  H     -10.144024     -4.764595      6.431077
  H      -9.019107     -3.507084      5.995472
  H      -8.885013     -4.274258      7.553649
  H      -8.217509     -6.776680      4.289783
  H      -9.335304     -5.446663      4.172806
  H      -7.790531     -6.234655      1.809502
  H      -7.156364     -4.617526      1.399487
  H      -8.837444     -4.813916      1.965594
  H      -8.529477     -3.164910      3.687670
  H      -7.169565     -3.209025      4.830202
  H      -6.859397     -2.852956      3.124011
  H      -3.733865     -5.811670      9.394882
  H      -2.102823     -4.922916      9.279650
  H      -3.974471     -6.587518      6.014001
  H      -3.108912     -7.987468      6.686428
  H      -4.459764     -7.247673      7.598283
  H      -0.580375     -5.451633      7.538312
  H      -0.965519     -6.708276      6.359978
  H       0.479467     -5.378819      4.838316
  H       0.609457     -4.026427      5.981562
  H      -0.023453     -3.736183      4.333397
  H      -2.884985     -3.452496      6.833784
  H      -1.153691     -3.103051      7.160727
  H      -1.903222     -2.555389      5.622636
  N      -4.721401     -3.631930      5.536121
  H      -5.174165     -3.165834      6.311658
85
Coordinates from ORCA-job orca E -5421.392837272845
  N      -4.003909     -3.342775      2.360366
  C      -3.957816     -4.040034      1.070044
  C      -3.141465     -5.320793      1.215550
  N      -3.664361     -6.094340      2.359668
  C      -4.878580     -6.865463      2.037011
  C      -5.774480     -6.815526      3.268215
  N      -5.947147     -5.421003      3.645198
  Mo     -4.200827     -4.431647      4.049058
  N      -2.366723     -5.065516      4.602869
  C      -1.685372     -6.081273      3.790332
  C      -2.661936     -6.936657      3.023587
  H      -1.089619     -6.765151      4.417376
  H      -0.964764     -5.604416      3.098670
  H      -3.201441     -7.589286      3.724112
  H      -2.126917     -7.582967      2.301480
  H      -6.727329     -7.317389      3.051568
  H      -5.314228     -7.394661      4.091750
  H      -5.397689     -6.376680      1.202219
  H      -4.615364     -7.892740      1.723007
  H      -3.503746     -3.433035      0.271149
  H      -4.984637     -4.282991      0.736582
  H      -2.094524     -5.057511      1.425216
  H      -3.168473     -5.913106      0.281988
  C      -1.430672      0.342353      1.127773
  C      -1.406054     -0.529195      2.136936
  C      -0.673035     -0.240027      3.413100
  C      -2.064659     -1.883960      2.015549
  C      -3.588667     -1.933667      2.285259
  C      -4.354436     -1.184728      1.225711
  C      -3.900874     -1.261354      3.588577
  C      -7.243221     -6.198410      6.651993
  C      -8.141870     -5.509878      5.950840
  C      -9.054283     -4.520638      6.611748
  C      -8.325439     -5.713075      4.478423
  C      -7.346275     -4.928784      3.539199
  C      -7.844562     -5.114431      2.087215
  C      -7.450281     -3.436768      3.851814
  C      -2.835771     -5.597045      8.836372
  C      -2.629132     -6.099433      7.610740
  C      -3.606380     -7.040468      6.968938
  C      -1.375651     -5.763584      6.832746
  C      -1.490547     -4.640085      5.740796
  C      -0.060231     -4.362823      5.210285
  C      -1.960537     -3.350716      6.415575
  H      -0.945030      1.319168      1.208228
  H      -1.920456      0.106040      0.185767
  H      -1.315681     -0.376451      4.284123
  H      -0.265080      0.778148      3.433168
  H       0.158642     -0.938045      3.533201
  H      -1.631540     -2.592605      2.731162
  H      -1.929074     -2.292833      1.009522
  H      -4.088966     -0.121499      1.278499
  H      -5.428327     -1.317305      1.424182
  H      -4.108160     -1.564083      0.228112
  H      -4.972657     -1.364553      3.784874
  H      -3.353002     -1.745503      4.393982
  H      -3.626078     -0.201829      3.512128
  H      -6.594781     -6.948412      6.207216
  H      -7.131692     -6.030498      7.720361
  H     -10.100572     -4.836756      6.534602
  H      -8.994220     -3.551088      6.132208
  H      -8.822793     -4.399868      7.662145
  H      -8.248139     -6.776592      4.243083
  H      -9.347486     -5.412077      4.200543
  H      -7.856955     -6.168929      1.781876
  H      -7.195637     -4.558056      1.396030
  H      -8.870234     -4.730257      1.982714
  H      -8.509818     -3.122763      3.778495
  H      -7.076955     -3.217699      4.863366
  H      -6.857939     -2.848171      3.124922
  H      -3.726199     -5.841756      9.422737
  H      -2.105972     -4.933123      9.301634
  H      -3.991297     -6.603869      6.033262
  H      -3.109971     -7.992030      6.713989
  H      -4.456359     -7.253878      7.628755
  H      -0.597816     -5.432158      7.538477
  H      -0.983288     -6.676364      6.349437
  H       0.456876     -5.270889      4.862896
  H       0.541323     -3.931489      6.021318
  H      -0.090425     -3.635895      4.377688
  H      -2.951214     -3.462550      6.874415
  H      -1.237520     -3.083474      7.202492
  H      -1.996562     -2.525415      5.681641
  N      -4.764649     -3.613157      5.514248
  H      -5.227074     -3.141870      6.287256
85
Coordinates from ORCA-job orca E -5421.394870763435
  N      -4.033219     -3.337024      2.359635
  C      -3.989333     -4.040616      1.071383
  C      -3.162271     -5.312393      1.220378
  N      -3.673831     -6.084502      2.367916
  C      -4.883023     -6.865667      2.044427
  C      -5.785276     -6.816252      3.270684
  N      -5.960799     -5.421729      3.643994
  Mo     -4.218517     -4.427625      4.055756
  N      -2.380475     -5.046326      4.604919
  C      -1.689862     -6.048310      3.779196
  C      -2.662312     -6.919222      3.026076
  H      -1.068153     -6.717612      4.394048
  H      -0.994467     -5.553860      3.076322
  H      -3.192240     -7.570665      3.733420
  H      -2.130728     -7.564201      2.301573
  H      -6.738039     -7.316904      3.048301
  H      -5.329654     -7.394570      4.096939
  H      -5.400868     -6.384690      1.204772
  H      -4.610913     -7.892055      1.738129
  H      -3.539641     -3.439069      0.267719
  H      -5.015922     -4.289003      0.745990
  H      -2.118111     -5.039808      1.423621
  H      -3.188158     -5.909407      0.290444
  C      -1.344864      0.283610      1.089090
  C      -1.372842     -0.567644      2.129470
  C      -0.679502     -0.264444      3.427426
  C      -2.059598     -1.916938      2.024515
  C      -3.594265     -1.932171      2.274679
  C      -4.336511     -1.176957      1.191814
  C      -3.911084     -1.232452      3.571509
  C      -7.265850     -6.278844      6.640320
  C      -8.152158     -5.545919      5.954649
  C      -9.042109     -4.550553      6.647129
  C      -8.341266     -5.709333      4.467883
  C      -7.352013     -4.920095      3.541698
  C      -7.843909     -5.091332      2.086003
  C      -7.428361     -3.426668      3.862788
  C      -2.795639     -5.622987      8.846685
  C      -2.603181     -6.104213      7.609694
  C      -3.584443     -7.046417      6.973510
  C      -1.362851     -5.750304      6.819164
  C      -1.505073     -4.613735      5.745189
  C      -0.084587     -4.291879      5.215256
  C      -1.999627     -3.345954      6.440850
  H      -0.844539      1.255513      1.158167
  H      -1.803421      0.032671      0.132030
  H      -1.364608     -0.353107      4.288630
  H      -0.242389      0.747777      3.424485
  H       0.134833     -0.993316      3.600498
  H      -1.660216     -2.626116      2.761979
  H      -1.918555     -2.349541      1.025527
  H      -4.055635     -0.119381      1.240354
  H      -5.412505     -1.293771      1.378804
  H      -4.078519     -1.572116      0.205680
  H      -4.987871     -1.311197      3.751795
  H      -3.384748     -1.724545      4.388699
  H      -3.609813     -0.181281      3.484318
  H      -6.640917     -7.036461      6.166112
  H      -7.142722     -6.143599      7.717033
  H     -10.097936     -4.841699      6.543951
  H      -8.952618     -3.553066      6.201043
  H      -8.813637     -4.475968      7.714854
  H      -8.280265     -6.774522      4.206570
  H      -9.357944     -5.385529      4.195699
  H      -7.865936     -6.144064      1.772044
  H      -7.186030     -4.535874      1.401837
  H      -8.865045     -4.695940      1.980303
  H      -8.457936     -3.089269      3.751491
  H      -7.093162     -3.212163      4.875704
  H      -6.803357     -2.853932      3.173695
  H      -3.677621     -5.882097      9.437930
  H      -2.063727     -4.961209      9.313390
  H      -3.983123     -6.612721      6.041727
  H      -3.088566     -7.995616      6.710203
  H      -4.424439     -7.264252      7.643819
  H      -0.578092     -5.421149      7.517150
  H      -0.970205     -6.654053      6.321364
  H       0.454751     -5.180678      4.858263
  H       0.507413     -3.853957      6.028075
  H      -0.135268     -3.557368      4.392553
  H      -2.984209     -3.481952      6.893559
  H      -1.286871     -3.081005      7.231320
  H      -2.048002     -2.508650      5.726104
  N      -4.785144     -3.600245      5.510623
  H      -5.252562     -3.119930      6.279010
85
Coordinates from ORCA-job orca E -5421.396384762703
  N      -4.037007     -3.341483      2.353525
  C      -3.996069     -4.054389      1.069584
  C      -3.158906     -5.316582      1.221717
  N      -3.664388     -6.083223      2.372631
  C      -4.868284     -6.873793      2.042707
  C      -5.787101     -6.821479      3.255889
  N      -5.968675     -5.427578      3.622784
  Mo     -4.228513     -4.438110      4.054157
  N      -2.388594     -5.042791      4.614866
  C      -1.683526     -6.031747      3.784558
  C      -2.648817     -6.913739      3.033311
  H      -1.043481     -6.687808      4.394881
  H      -1.003438     -5.522065      3.077006
  H      -3.177787     -7.563573      3.744176
  H      -2.115687     -7.558637      2.309189
  H      -6.738532     -7.321789      3.020698
  H      -5.341313     -7.398477      4.088804
  H      -5.377882     -6.402790      1.192564
  H      -4.586086     -7.900922      1.750138
  H      -3.552377     -3.458373      0.259956
  H      -5.022013     -4.310788      0.751122
  H      -2.118041     -5.033053      1.421109
  H      -3.180324     -5.921997      0.296503
  C      -1.349192      0.287463      1.105543
  C      -1.361780     -0.579518      2.128063
  C      -0.664358     -0.294858      3.428411
  C      -2.053721     -1.923416      2.008368
  C      -3.596796     -1.932672      2.258667
  C      -4.344986     -1.184197      1.151286
  C      -3.913547     -1.204481      3.556563
  C      -7.259180     -6.336881      6.637714
  C      -8.125317     -5.561598      5.960280
  C      -8.956574     -4.518344      6.655915
  C      -8.335496     -5.713236      4.471866
  C      -7.356814     -4.920903      3.537938
  C      -7.874610     -5.084476      2.090931
  C      -7.425631     -3.426551      3.872821
  C      -2.800009     -5.645740      8.850097
  C      -2.608114     -6.113457      7.607854
  C      -3.593883     -7.046849      6.964707
  C      -1.371440     -5.753151      6.822139
  C      -1.521835     -4.608007      5.763156
  C      -0.107632     -4.261065      5.240546
  C      -2.029598     -3.355939      6.474871
  H      -0.859930      1.258895      1.191782
  H      -1.815032      0.050837      0.147240
  H      -1.336457     -0.417979      4.288587
  H      -0.251031      0.719714      3.449919
  H       0.163200     -1.004895      3.579204
  H      -1.659415     -2.639780      2.740912
  H      -1.912687     -2.346156      1.005228
  H      -4.068686     -0.127759      1.189054
  H      -5.418584     -1.300326      1.334277
  H      -4.085845     -1.586576      0.169377
  H      -4.992105     -1.268187      3.733862
  H      -3.393872     -1.688620      4.388432
  H      -3.601612     -0.159127      3.455183
  H      -6.681394     -7.120565      6.147613
  H      -7.104072     -6.207236      7.711634
  H     -10.037446     -4.748220      6.528444
  H      -8.801943     -3.507764      6.225066
  H      -8.725495     -4.476672      7.735267
  H      -8.283313     -6.779308      4.200749
  H      -9.353382     -5.378203      4.213758
  H      -7.900707     -6.137479      1.772951
  H      -7.228388     -4.524682      1.396908
  H      -8.899191     -4.687535      2.005461
  H      -8.473730     -3.080552      3.801890
  H      -7.055598     -3.223246      4.885062
  H      -6.818350     -2.844141      3.154230
  H      -3.686493     -5.907284      9.429368
  H      -2.070261     -4.988031      9.327661
  H      -3.992803     -6.611927      6.033820
  H      -3.105783     -7.998249      6.694627
  H      -4.432765     -7.261755      7.636876
  H      -0.586114     -5.428358      7.520171
  H      -0.981702     -6.652445      6.318466
  H       0.441551     -5.137213      4.872649
  H       0.480071     -3.824299      6.058440
  H      -0.168803     -3.519333      4.429729
  H      -3.008587     -3.512488      6.939698
  H      -1.309344     -3.087240      7.261911
  H      -2.098565     -2.512330      5.770790
  N      -4.800109     -3.568198      5.478021
  H      -5.274574     -3.064341      6.227427
85
Coordinates from ORCA-job orca E -5421.397580418093
  N      -4.048207     -3.326291      2.372757
  C      -4.023571     -4.039037      1.088745
  C      -3.177285     -5.297325      1.224486
  N      -3.664084     -6.067848      2.380581
  C      -4.859666     -6.874498      2.055536
  C      -5.782623     -6.824386      3.264797
  N      -5.978199     -5.430529      3.620952
  Mo     -4.238645     -4.439432      4.063488
  N      -2.392657     -5.029360      4.625336
  C      -1.675855     -6.002675      3.787587
  C      -2.634421     -6.890801      3.031052
  H      -1.024533     -6.653491      4.392908
  H      -1.003860     -5.478304      3.081143
  H      -3.154533     -7.549835      3.740448
  H      -2.098953     -7.525802      2.299297
  H      -6.728369     -7.334937      3.027010
  H      -5.334684     -7.392482      4.103046
  H      -5.371609     -6.414529      1.201041
  H      -4.564590     -7.900853      1.771621
  H      -3.592854     -3.438769      0.274588
  H      -5.052657     -4.299624      0.782478
  H      -2.136776     -5.004364      1.413117
  H      -3.202986     -5.905392      0.300304
  C      -1.314315      0.262560      1.063841
  C      -1.335197     -0.596440      2.093430
  C      -0.605780     -0.317916      3.375910
  C      -2.056617     -1.928912      1.996596
  C      -3.600219     -1.918925      2.282150
  C      -4.366465     -1.157595      1.186437
  C      -3.885161     -1.189431      3.593568
  C      -7.207144     -6.299064      6.617564
  C      -8.107587     -5.551377      5.959376
  C      -8.958577     -4.532053      6.673170
  C      -8.334048     -5.719116      4.474801
  C      -7.366811     -4.933598      3.522073
  C      -7.890505     -5.129572      2.082080
  C      -7.440744     -3.435901      3.822747
  C      -2.817803     -5.686907      8.854766
  C      -2.619774     -6.133823      7.606098
  C      -3.604843     -7.052130      6.944063
  C      -1.383285     -5.757996      6.829706
  C      -1.536919     -4.602049      5.783010
  C      -0.125516     -4.239147      5.267360
  C      -2.059860     -3.362822      6.505582
  H      -0.797306      1.225208      1.133581
  H      -1.798656      0.028611      0.114800
  H      -1.267436     -0.415667      4.252100
  H      -0.161151      0.690973      3.379765
  H       0.204286     -1.054089      3.514241
  H      -1.654266     -2.644849      2.724749
  H      -1.935511     -2.359278      0.991489
  H      -4.071410     -0.101769      1.215587
  H      -5.442036     -1.253791      1.392845
  H      -4.141188     -1.562371      0.193260
  H      -4.962958     -1.232571      3.790829
  H      -3.363278     -1.678912      4.418815
  H      -3.556436     -0.150086      3.493478
  H      -6.614617     -7.062169      6.105017
  H      -7.030257     -6.167275      7.689520
  H     -10.023779     -4.798746      6.587907
  H      -8.858162     -3.529246      6.227286
  H      -8.703981     -4.467007      7.741024
  H      -8.267884     -6.786987      4.215497
  H      -9.359771     -5.400386      4.223573
  H      -7.915087     -6.187391      1.787105
  H      -7.248477     -4.584722      1.375562
  H      -8.915380     -4.737836      1.990090
  H      -8.487619     -3.094131      3.732318
  H      -7.080115     -3.210591      4.831437
  H      -6.823267     -2.868975      3.103291
  H      -3.709204     -5.958775      9.421982
  H      -2.093598     -5.035762      9.347134
  H      -3.999582     -6.604802      6.017153
  H      -3.119523     -8.000274      6.658455
  H      -4.447439     -7.274606      7.608660
  H      -0.602109     -5.436069      7.533585
  H      -0.988425     -6.650916      6.318618
  H       0.428042     -5.106205      4.880834
  H       0.461999     -3.813525      6.092821
  H      -0.193563     -3.482995      4.470332
  H      -3.037897     -3.536043      6.970646
  H      -1.340834     -3.093569      7.296167
  H      -2.140669     -2.512310      5.810120
  N      -4.814827     -3.551688      5.471858
  H      -5.294548     -3.037744      6.211175
85
Coordinates from ORCA-job orca E -5421.398232465704
  N      -4.049452     -3.318933      2.395922
  C      -4.056644     -4.036375      1.115588
  C      -3.202883     -5.293785      1.227261
  N      -3.663747     -6.066367      2.394938
  C      -4.853626     -6.889633      2.088603
  C      -5.772832     -6.827144      3.298460
  N      -5.975885     -5.428120      3.630824
  Mo     -4.233727     -4.443258      4.075252
  N      -2.383597     -5.026805      4.634021
  C      -1.660810     -5.983008      3.783764
  C      -2.615659     -6.878702      3.031533
  H      -0.993468     -6.629274      4.377302
  H      -1.003968     -5.444441      3.073862
  H      -3.120043     -7.546275      3.744371
  H      -2.081048     -7.505146      2.291945
  H      -6.714608     -7.348697      3.067381
  H      -5.320356     -7.380229      4.145064
  H      -5.372392     -6.446949      1.228904
  H      -4.550151     -7.918306      1.820462
  H      -3.654241     -3.432114      0.288262
  H      -5.092698     -4.304723      0.837842
  H      -2.159987     -4.992465      1.396144
  H      -3.241843     -5.905618      0.305878
  C      -1.344918      0.265465      1.043916
  C      -1.335245     -0.592034      2.066485
  C      -0.569085     -0.313385      3.327163
  C      -2.064169     -1.919849      1.991738
  C      -3.606874     -1.909891      2.305952
  C      -4.393455     -1.145180      1.210810
  C      -3.878829     -1.174607      3.625942
  C      -7.240960     -6.261468      6.623716
  C      -8.120912     -5.511268      5.946191
  C      -8.958225     -4.469784      6.634041
  C      -8.339757     -5.703182      4.466654
  C      -7.363990     -4.940440      3.504967
  C      -7.875396     -5.174388      2.064134
  C      -7.439568     -3.437929      3.762040
  C      -2.794442     -5.764973      8.868822
  C      -2.600220     -6.180544      7.607956
  C      -3.584440     -7.085127      6.926929
  C      -1.370063     -5.776736      6.834238
  C      -1.535546     -4.609584      5.800267
  C      -0.127800     -4.224112      5.292299
  C      -2.077756     -3.386909      6.534877
  H      -0.825134      1.225996      1.102749
  H      -1.863932      0.035304      0.112836
  H      -1.192613     -0.439176      4.216082
  H      -0.146745      0.698036      3.337873
  H       0.252112     -1.027906      3.426801
  H      -1.638274     -2.627975      2.715968
  H      -1.951684     -2.351418      0.986312
  H      -4.095598     -0.087905      1.228920
  H      -5.468359     -1.230833      1.429013
  H      -4.192835     -1.547302      0.209589
  H      -4.953665     -1.215806      3.839438
  H      -3.346796     -1.650774      4.455534
  H      -3.555567     -0.131829      3.521259
  H      -6.659558     -7.037523      6.127551
  H      -7.068569     -6.117248      7.691845
  H     -10.028155     -4.719829      6.546084
  H      -8.836482     -3.478426      6.174300
  H      -8.709812     -4.392366      7.699821
  H      -8.272699     -6.774138      4.227682
  H      -9.363233     -5.392455      4.203030
  H      -7.895286     -6.238718      1.793117
  H      -7.228154     -4.646097      1.350964
  H      -8.898543     -4.789184      1.952265
  H      -8.467074     -3.099059      3.623003
  H      -7.112800     -3.184080      4.768107
  H      -6.795238     -2.897854      3.065872
  H      -3.682910     -6.058413      9.434269
  H      -2.072220     -5.120966      9.373460
  H      -3.979555     -6.622729      6.007865
  H      -3.097785     -8.026997      6.621418
  H      -4.429247     -7.322375      7.585037
  H      -0.590793     -5.454343      7.541915
  H      -0.965950     -6.659653      6.311553
  H       0.433091     -5.077489      4.886871
  H       0.458040     -3.808264      6.124466
  H      -0.206370     -3.453694      4.509940
  H      -3.055936     -3.574688      6.977350
  H      -1.378151     -3.125089      7.338849
  H      -2.155058     -2.527505      5.858814
  N      -4.807181     -3.553735      5.482652
  H      -5.286669     -3.035315      6.218162
85
Coordinates from ORCA-job orca E -5421.398120873927
  N      -4.053760     -3.307803      2.391104
  C      -4.073952     -4.029470      1.114929
  C      -3.216285     -5.286983      1.211409
  N      -3.665115     -6.062021      2.384197
  C      -4.849791     -6.896709      2.087480
  C      -5.768793     -6.825261      3.296475
  N      -5.978187     -5.423273      3.614285
  Mo     -4.238187     -4.437126      4.060016
  N      -2.387847     -5.018496      4.627026
  C      -1.657401     -5.957526      3.766136
  C      -2.604815     -6.862759      3.016343
  H      -0.975964     -6.599287      4.348831
  H      -1.013977     -5.406302      3.053916
  H      -3.097643     -7.536910      3.731353
  H      -2.065807     -7.482539      2.274095
  H      -6.706766     -7.356868      3.071083
  H      -5.311663     -7.367547      4.148034
  H      -5.371281     -6.466964      1.222604
  H      -4.539739     -7.926861      1.831388
  H      -3.690999     -3.420549      0.280944
  H      -5.112602     -4.306287      0.852270
  H      -2.172307     -4.980549      1.372513
  H      -3.260091     -5.900104      0.291044
  C      -1.235440      0.194130      0.987174
  C      -1.311996     -0.607479      2.070339
  C      -0.639988     -0.265651      3.376563
  C      -2.050336     -1.930281      2.036790
  C      -3.604275     -1.901455      2.305663
  C      -4.355534     -1.133133      1.175281
  C      -3.915641     -1.154638      3.615213
  C      -7.202853     -6.201697      6.654145
  C      -8.089664     -5.477308      5.970642
  C      -8.920555     -4.423714      6.638750
  C      -8.322718     -5.707386      4.505355
  C      -7.374680     -4.950378      3.508077
  C      -7.919196     -5.206494      2.080546
  C      -7.462570     -3.443755      3.748465
  C      -2.780595     -5.847331      8.862289
  C      -2.590552     -6.228211      7.589622
  C      -3.569262     -7.123658      6.889641
  C      -1.368166     -5.791453      6.820519
  C      -1.549339     -4.610939      5.802800
  C      -0.145622     -4.194841      5.308153
  C      -2.113957     -3.410475      6.555363
  H      -0.710837      1.151702      1.022014
  H      -1.690178     -0.080886      0.029807
  H      -1.339602     -0.326717      4.233726
  H      -0.203885      0.741539      3.347734
  H       0.169192     -0.999521      3.588910
  H      -1.641927     -2.608839      2.807965
  H      -1.891926     -2.403522      1.053397
  H      -4.059450     -0.076794      1.191534
  H      -5.436079     -1.204095      1.353864
  H      -4.132870     -1.531949      0.179691
  H      -4.994476     -1.186820      3.803072
  H      -3.408006     -1.618081      4.471985
  H      -3.593964     -0.109745      3.516148
  H      -6.621256     -6.982753      6.174909
  H      -7.021648     -6.028900      7.710806
  H      -9.988536     -4.673120      6.580579
  H      -8.808350     -3.456797      6.151467
  H      -8.658867     -4.313266      7.688260
  H      -8.236963     -6.778272      4.290571
  H      -9.356812     -5.423806      4.252211
  H      -7.927242     -6.275417      1.820858
  H      -7.297818     -4.675157      1.343841
  H      -8.952053     -4.837418      1.990351
  H      -8.509376     -3.112455      3.644247
  H      -7.093978     -3.177756      4.750192
  H      -6.843918     -2.906760      3.013841
  H      -3.662658     -6.165366      9.426221
  H      -2.061689     -5.209437      9.378679
  H      -3.965590     -6.647331      5.979416
  H      -3.076114     -8.056857      6.567230
  H      -4.415628     -7.379579      7.539752
  H      -0.592880     -5.468960      7.533131
  H      -0.951484     -6.660722      6.283841
  H       0.428175     -5.030213      4.887521
  H       0.432413     -3.785997      6.148330
  H      -0.235477     -3.411451      4.540943
  H      -3.088878     -3.620384      6.983602
  H      -1.427715     -3.153930      7.368117
  H      -2.199698     -2.541310      5.899179
  N      -4.819904     -3.558942      5.470521
  H      -5.302844     -3.041694      6.204029
85
Coordinates from ORCA-job orca E -5421.399011014164
  N      -4.063046     -3.305770      2.384273
  C      -4.073785     -4.030627      1.110513
  C      -3.213702     -5.284947      1.216820
  N      -3.667848     -6.058434      2.387044
  C      -4.851901     -6.891796      2.087138
  C      -5.775043     -6.819903      3.294630
  N      -5.985172     -5.418586      3.610551
  Mo     -4.249659     -4.423242      4.058571
  N      -2.401292     -5.006180      4.635047
  C      -1.668078     -5.944806      3.776399
  C      -2.610997     -6.854827      3.027354
  H      -0.986756     -6.584765      4.360825
  H      -1.023898     -5.394510      3.063547
  H      -3.105398     -7.527374      3.742568
  H      -2.066919     -7.476317      2.289885
  H      -6.713129     -7.351322      3.067925
  H      -5.320149     -7.361816      4.147504
  H      -5.370954     -6.462021      1.220699
  H      -4.542250     -7.921920      1.831266
  H      -3.686950     -3.423959      0.277932
  H      -5.109579     -4.311147      0.841703
  H      -2.171364     -4.978840      1.382731
  H      -3.252768     -5.898260      0.296638
  C      -1.256863      0.211239      1.013649
  C      -1.304005     -0.624172      2.062460
  C      -0.587559     -0.324928      3.350404
  C      -2.054998     -1.938865      2.005555
  C      -3.601918     -1.901760      2.298048
  C      -4.359912     -1.122171      1.190153
  C      -3.883264     -1.162850      3.614419
  C      -7.214079     -6.271660      6.631195
  C      -8.091393     -5.511018      5.961825
  C      -8.899939     -4.449330      6.656584
  C      -8.335086     -5.708455      4.487904
  C      -7.380162     -4.947697      3.501007
  C      -7.912755     -5.207759      2.072649
  C      -7.472595     -3.440680      3.739919
  C      -2.783659     -5.815251      8.868938
  C      -2.594861     -6.204395      7.599013
  C      -3.571280     -7.110788      6.908007
  C      -1.374114     -5.770387      6.826311
  C      -1.559975     -4.592782      5.806735
  C      -0.157193     -4.176727      5.306736
  C      -2.118695     -3.391757      6.563826
  H      -0.724905      1.163684      1.067472
  H      -1.745510     -0.029748      0.068052
  H      -1.260343     -0.410447      4.218939
  H      -0.142716      0.679913      3.344494
  H       0.219271     -1.063420      3.512760
  H      -1.638591     -2.638512      2.747117
  H      -1.921891     -2.390049      1.011076
  H      -4.056532     -0.069524      1.212863
  H      -5.439720     -1.188146      1.381401
  H      -4.152372     -1.513122      0.188463
  H      -4.959920     -1.191403      3.824323
  H      -3.364919     -1.633446      4.456136
  H      -3.556491     -0.119462      3.517528
  H      -6.647024     -7.059101      6.132811
  H      -7.024965     -6.122638      7.695583
  H      -9.976273     -4.675025      6.584859
  H      -8.764033     -3.464634      6.192695
  H      -8.635608     -4.372412      7.716689
  H      -8.268123     -6.779875      4.251714
  H      -9.365544     -5.401180      4.242043
  H      -7.913906     -6.277190      1.815620
  H      -7.287916     -4.674895      1.340600
  H      -8.948167     -4.843574      1.975135
  H      -8.517670     -3.116630      3.630020
  H      -7.116984     -3.172740      4.736771
  H      -6.852888     -2.896301      3.009344
  H      -3.663249     -6.129251      9.435299
  H      -2.065409     -5.170969      9.379567
  H      -3.971979     -6.640916      5.996026
  H      -3.074072     -8.043797      6.592075
  H      -4.413671     -7.366898      7.562931
  H      -0.598448     -5.445549      7.536356
  H      -0.957482     -6.639974      6.291026
  H       0.417136     -5.013822      4.890845
  H       0.421405     -3.762465      6.143552
  H      -0.248707     -3.398184      4.535211
  H      -3.088345     -3.610098      7.023775
  H      -1.407684     -3.122650      7.361156
  H      -2.230388     -2.525884      5.896371
  N      -4.836481     -3.546827      5.471100
  H      -5.320644     -3.031394      6.204657
85
Coordinates from ORCA-job orca E -5421.399172229061
  N      -4.065640     -3.299261      2.394104
  C      -4.077095     -4.021163      1.119745
  C      -3.210944     -5.270640      1.222473
  N      -3.662187     -6.050171      2.390501
  C      -4.842937     -6.886866      2.085885
  C      -5.770222     -6.819943      3.291427
  N      -5.986619     -5.420091      3.610159
  Mo     -4.254113     -4.416820      4.063508
  N      -2.405671     -4.998239      4.648064
  C      -1.665397     -5.926589      3.783989
  C      -2.600900     -6.840809      3.028848
  H      -0.980561     -6.565615      4.365233
  H      -1.023359     -5.368260      3.074062
  H      -3.091162     -7.521139      3.739759
  H      -2.050953     -7.453853      2.289074
  H      -6.705322     -7.355206      3.063038
  H      -5.314434     -7.361556      4.143869
  H      -5.360586     -6.457517      1.218403
  H      -4.529424     -7.915327      1.828678
  H      -3.696375     -3.410330      0.287231
  H      -5.111852     -4.306848      0.854059
  H      -2.169830     -4.962182      1.388681
  H      -3.249185     -5.880562      0.300313
  C      -1.275878      0.199835      0.967424
  C      -1.299228     -0.627247      2.021131
  C      -0.549039     -0.314850      3.285431
  C      -2.055891     -1.942779      1.991514
  C      -3.596188     -1.897772      2.305605
  C      -4.360092     -1.117230      1.207230
  C      -3.856123     -1.157730      3.624427
  C      -7.232989     -6.286912      6.635478
  C      -8.100281     -5.520317      5.960651
  C      -8.904544     -4.454833      6.651945
  C      -8.338428     -5.714064      4.485283
  C      -7.381325     -4.950401      3.502036
  C      -7.912486     -5.204526      2.071248
  C      -7.471184     -3.441703      3.747274
  C      -2.791166     -5.847792      8.877603
  C      -2.599964     -6.222559      7.604026
  C      -3.570036     -7.126690      6.904324
  C      -1.381168     -5.776913      6.835624
  C      -1.571219     -4.591059      5.825522
  C      -0.168412     -4.164802      5.334306
  C      -2.140358     -3.399722      6.591870
  H      -0.737875      1.151914      1.000618
  H      -1.789299     -0.048732      0.036800
  H      -1.196427     -0.398361      4.170594
  H      -0.107350      0.692155      3.264537
  H       0.260713     -1.046503      3.427149
  H      -1.628046     -2.635923      2.730869
  H      -1.940979     -2.406660      0.998712
  H      -4.045246     -0.065463      1.220632
  H      -5.439647     -1.171660      1.413583
  H      -4.169876     -1.515859      0.202171
  H      -4.929861     -1.183925      3.851158
  H      -3.328118     -1.627646      4.459194
  H      -3.528251     -0.114505      3.523947
  H      -6.668683     -7.078404      6.142494
  H      -7.049494     -6.138041      7.700699
  H      -9.983360     -4.672368      6.568328
  H      -8.753138     -3.466731      6.192695
  H      -8.648581     -4.385570      7.716951
  H      -8.273666     -6.785653      4.246855
  H      -9.366619     -5.404246      4.237526
  H      -7.915291     -6.272676      1.810113
  H      -7.286943     -4.670187      1.341423
  H      -8.946322     -4.838454      1.974540
  H      -8.513899     -3.112514      3.636932
  H      -7.117084     -3.176455      4.746325
  H      -6.850238     -2.898493      3.019269
  H      -3.668465     -6.171586      9.440813
  H      -2.076218     -5.205922      9.394508
  H      -3.969818     -6.649040      5.996377
  H      -3.067168     -8.053737      6.580558
  H      -4.411946     -7.393519      7.554449
  H      -0.608679     -5.454329      7.549445
  H      -0.958869     -6.639690      6.293123
  H       0.411063     -4.997083      4.912243
  H       0.405398     -3.755853      6.177099
  H      -0.260322     -3.379387      4.568767
  H      -3.113399     -3.622864      7.033646
  H      -1.443537     -3.141349      7.400301
  H      -2.244019     -2.525915      5.936544
  N      -4.848848     -3.543522      5.473814
  H      -5.337524     -3.028306      6.204505
85
Coordinates from ORCA-job orca E -5421.399346980250
  N      -4.072423     -3.293920      2.393413
  C      -4.089283     -4.017964      1.120859
  C      -3.217846     -5.263523      1.220135
  N      -3.662605     -6.045032      2.390184
  C      -4.839331     -6.888474      2.089349
  C      -5.768501     -6.818424      3.293978
  N      -5.992357     -5.417658      3.602848
  Mo     -4.264555     -4.406083      4.059649
  N      -2.417148     -4.987180      4.654837
  C      -1.668590     -5.902627      3.785101
  C      -2.594457     -6.825488      3.028716
  H      -0.975344     -6.537229      4.361356
  H      -1.033990     -5.335633      3.075373
  H      -3.077168     -7.512157      3.738749
  H      -2.037050     -7.431734      2.288668
  H      -6.700149     -7.361119      3.069398
  H      -5.309587     -7.352200      4.149768
  H      -5.357830     -6.466804      1.218499
  H      -4.521405     -7.916990      1.838446
  H      -3.720999     -3.405753      0.283865
  H      -5.124097     -4.311073      0.864622
  H      -2.176808     -4.953206      1.382264
  H      -3.258691     -5.873116      0.298078
  C      -1.257623      0.181855      0.955300
  C      -1.289102     -0.640414      2.012428
  C      -0.544543     -0.324234      3.279864
  C      -2.054355     -1.950445      1.988647
  C      -3.592858     -1.894378      2.301919
  C      -4.352300     -1.109993      1.202608
  C      -3.845906     -1.151254      3.619936
  C      -7.219507     -6.287765      6.635059
  C      -8.082579     -5.510598      5.964748
  C      -8.865253     -4.430619      6.660751
  C      -8.338912     -5.707204      4.493056
  C      -7.388533     -4.955208      3.496224
  C      -7.927068     -5.227875      2.072074
  C      -7.478524     -3.444560      3.720209
  C      -2.783408     -5.890218      8.882217
  C      -2.596146     -6.245559      7.601895
  C      -3.562343     -7.148527      6.893618
  C      -1.384060     -5.779432      6.833551
  C      -1.589448     -4.583793      5.836701
  C      -0.190588     -4.134562      5.351971
  C      -2.174351     -3.409777      6.618501
  H      -0.714927      1.129907      0.986437
  H      -1.768937     -0.067460      0.023488
  H      -1.196306     -0.408918      4.160153
  H      -0.106193      0.681866      3.259956
  H       0.267267     -1.051935      3.428879
  H      -1.624992     -2.642756      2.728503
  H      -1.940350     -2.418592      0.999079
  H      -4.032231     -0.060082      1.212396
  H      -5.432004     -1.154628      1.407526
  H      -4.167202     -1.508962      0.196707
  H      -4.917522     -1.176769      3.854753
  H      -3.312176     -1.616241      4.455143
  H      -3.521614     -0.106714      3.517636
  H      -6.669452     -7.090387      6.142256
  H      -7.024595     -6.136040      7.698583
  H      -9.947871     -4.630805      6.587535
  H      -8.703299     -3.446289      6.198365
  H      -8.598325     -4.362922      7.722971
  H      -8.283351     -6.779730      4.257973
  H      -9.368096     -5.391100      4.255009
  H      -7.929538     -6.297799      1.825020
  H      -7.306856     -4.702937      1.332904
  H      -8.961180     -4.865047      1.975485
  H      -8.521849     -3.119215      3.610196
  H      -7.118113     -3.163216      4.712772
  H      -6.862374     -2.913155      2.982137
  H      -3.654572     -6.229734      9.446784
  H      -2.070354     -5.248714      9.403817
  H      -3.964438     -6.661857      5.991184
  H      -3.053440     -8.068476      6.558370
  H      -4.402264     -7.429353      7.541430
  H      -0.612402     -5.456734      7.548985
  H      -0.953993     -6.631501      6.279835
  H       0.399368     -4.955571      4.921012
  H       0.377762     -3.728194      6.199918
  H      -0.291375     -3.341838      4.594254
  H      -3.146466     -3.651468      7.055305
  H      -1.481921     -3.154585      7.432328
  H      -2.288419     -2.527796      5.974729
  N      -4.866134     -3.533313      5.467932
  H      -5.358343     -3.015108      6.194179
85
Coordinates from ORCA-job orca E -5421.399567668687
  N      -4.083434     -3.272403      2.398362
  C      -4.120168     -4.002126      1.129134
  C      -3.239870     -5.241365      1.217129
  N      -3.664858     -6.024807      2.394908
  C      -4.831996     -6.884681      2.106895
  C      -5.761688     -6.807090      3.311341
  N      -6.005309     -5.404860      3.595870
  Mo     -4.284739     -4.374869      4.055524
  N      -2.437407     -4.955902      4.671378
  C      -1.672460     -5.840325      3.786014
  C      -2.578075     -6.782126      3.027954
  H      -0.958171     -6.463943      4.348504
  H      -1.058205     -5.252652      3.075672
  H      -3.039863     -7.484878      3.736108
  H      -2.006892     -7.370343      2.283804
  H      -6.685141     -7.369151      3.099540
  H      -5.292326     -7.319660      4.174587
  H      -5.354686     -6.481511      1.229799
  H      -4.503621     -7.913197      1.870870
  H      -3.781060     -3.389078      0.280914
  H      -5.156908     -4.307805      0.898864
  H      -2.197536     -4.929279      1.364682
  H      -3.292448     -5.852030      0.296720
  C      -1.202443      0.131440      0.899254
  C      -1.251708     -0.676013      1.966723
  C      -0.500208     -0.355844      3.229344
  C      -2.046239     -1.968202      1.964932
  C      -3.576342     -1.879343      2.299787
  C      -4.337969     -1.077678      1.215699
  C      -3.790058     -1.137445      3.624235
  C      -7.214009     -6.305336      6.640271
  C      -8.068649     -5.518431      5.973335
  C      -8.828095     -4.426284      6.675616
  C      -8.341014     -5.716679      4.504541
  C      -7.406906     -4.965002      3.489107
  C      -7.951610     -5.272250      2.073865
  C      -7.519059     -3.448966      3.679908
  C      -2.778718     -5.977447      8.889446
  C      -2.591749     -6.288397      7.597375
  C      -3.543671     -7.187314      6.862875
  C      -1.392795     -5.775279      6.838243
  C      -1.625392     -4.563605      5.864651
  C      -0.233676     -4.071993      5.399902
  C      -2.241139     -3.424276      6.672189
  H      -0.638316      1.065935      0.917224
  H      -1.719858     -0.117745     -0.028502
  H      -1.156196     -0.423907      4.108679
  H      -0.048239      0.644130      3.197811
  H       0.305104     -1.092046      3.389224
  H      -1.608593     -2.662708      2.698327
  H      -1.951693     -2.445414      0.979712
  H      -4.001992     -0.033925      1.221876
  H      -5.415627     -1.099249      1.431650
  H      -4.179237     -1.469761      0.203502
  H      -4.853971     -1.154777      3.892495
  H      -3.236317     -1.601641      4.446967
  H      -3.465201     -0.092969      3.521054
  H      -6.677114     -7.118228      6.149938
  H      -7.010168     -6.149822      7.701823
  H      -9.913174     -4.607483      6.610539
  H      -8.649151     -3.444495      6.212049
  H      -8.554597     -4.364144      7.737343
  H      -8.284680     -6.790798      4.271075
  H      -9.373631     -5.403603      4.280434
  H      -7.932182     -6.347005      1.843006
  H      -7.349683     -4.744678      1.319452
  H      -8.994960     -4.933347      1.982325
  H      -8.568499     -3.139031      3.568705
  H      -7.157965     -3.139076      4.663671
  H      -6.913413     -2.925824      2.924543
  H      -3.639388     -6.351678      9.448395
  H      -2.074932     -5.337464      9.427263
  H      -3.948531     -6.675769      5.975281
  H      -3.018249     -8.086384      6.497394
  H      -4.379538     -7.505284      7.499576
  H      -0.629115     -5.447934      7.560688
  H      -0.942222     -6.603966      6.267049
  H       0.376885     -4.871973      4.961405
  H       0.319598     -3.665616      6.257694
  H      -0.347102     -3.272403      4.653046
  H      -3.216143     -3.698089      7.083730
  H      -1.566635     -3.181216      7.505460
  H      -2.362268     -2.526345      6.054052
  N      -4.901065     -3.494203      5.453640
  H      -5.400330     -2.963757      6.165889
85
Coordinates from ORCA-job orca E -5421.399781587900
  N      -4.086082     -3.260389      2.406229
  C      -4.129480     -3.990030      1.135453
  C      -3.244599     -5.226015      1.217295
  N      -3.661187     -6.011843      2.397240
  C      -4.821276     -6.882527      2.113136
  C      -5.754567     -6.803693      3.314952
  N      -6.012573     -5.401708      3.586176
  Mo     -4.301016     -4.359153      4.056481
  N      -2.458156     -4.942423      4.693093
  C      -1.676886     -5.801815      3.797695
  C      -2.564555     -6.754615      3.030097
  H      -0.950019     -6.417537      4.352932
  H      -1.074508     -5.195595      3.091984
  H      -3.015878     -7.470105      3.732766
  H      -1.979865     -7.328241      2.284546
  H      -6.672324     -7.377046      3.107668
  H      -5.280968     -7.304303      4.182928
  H      -5.345400     -6.490134      1.231931
  H      -4.485303     -7.910591      1.885350
  H      -3.804284     -3.374892      0.283458
  H      -5.166827     -4.301989      0.916785
  H      -2.201337     -4.913713      1.358640
  H      -3.302172     -5.836029      0.296251
  C      -1.195915      0.100974      0.837239
  C      -1.243436     -0.684353      1.922301
  C      -0.480278     -0.343102      3.173587
  C      -2.044501     -1.972020      1.948785
  C      -3.567348     -1.869775      2.305040
  C      -4.338301     -1.061051      1.233102
  C      -3.754940     -1.131966      3.635918
  C      -7.181345     -6.299396      6.639029
  C      -8.030430     -5.497988      5.977914
  C      -8.745646     -4.373784      6.678543
  C      -8.336606     -5.707197      4.518087
  C      -7.416619     -4.975093      3.479026
  C      -7.972626     -5.316825      2.076303
  C      -7.535445     -3.457298      3.633179
  C      -2.785323     -6.068847      8.893407
  C      -2.595701     -6.341577      7.593384
  C      -3.536511     -7.230435      6.834062
  C      -1.406758     -5.791445      6.845837
  C      -1.662454     -4.561387      5.899534
  C      -0.278963     -4.027940      5.456352
  C      -2.310060     -3.458804      6.733187
  H      -0.625377      1.031611      0.832448
  H      -1.721286     -0.163461     -0.083029
  H      -1.129877     -0.390589      4.060707
  H      -0.024552      0.654784      3.117833
  H       0.323909     -1.079662      3.341489
  H      -1.597347     -2.661038      2.682893
  H      -1.967449     -2.461386      0.966716
  H      -3.992717     -0.020489      1.232907
  H      -5.412107     -1.071940      1.465436
  H      -4.200387     -1.453512      0.217998
  H      -4.812592     -1.148319      3.927034
  H      -3.183221     -1.599043      4.445723
  H      -3.431907     -0.087438      3.531644
  H      -6.673565     -7.133895      6.152110
  H      -6.952661     -6.133369      7.694406
  H      -9.838021     -4.521220      6.635473
  H      -8.548771     -3.405207      6.200197
  H      -8.448676     -4.306191      7.731793
  H      -8.292772     -6.782861      4.293930
  H      -9.371631     -5.386286      4.311401
  H      -7.946748     -6.394994      1.868341
  H      -7.382554     -4.801310      1.305736
  H      -9.019304     -4.988411      1.986735
  H      -8.588092     -3.157269      3.523337
  H      -7.166082     -3.117557      4.604592
  H      -6.940655     -2.951853      2.858301
  H      -3.639830     -6.469458      9.442697
  H      -2.090141     -5.435242      9.447682
  H      -3.941219     -6.697579      5.960714
  H      -3.000358     -8.112860      6.444142
  H      -4.369927     -7.575458      7.459112
  H      -0.649524     -5.466295      7.575393
  H      -0.941047     -6.598760      6.255928
  H       0.352610     -4.805764      5.005852
  H       0.258691     -3.627241      6.326566
  H      -0.405266     -3.216095      4.724366
  H      -3.286635     -3.763221      7.120897
  H      -1.652291     -3.231600      7.584085
  H      -2.439907     -2.543305      6.141797
  N      -4.931392     -3.472631      5.444239
  H      -5.437552     -2.932006      6.144834
85
Coordinates from ORCA-job orca E -5421.399988529617
  N      -4.081796     -3.246290      2.414020
  C      -4.135502     -3.977190      1.141897
  C      -3.249449     -5.212234      1.218902
  N      -3.657191     -5.996471      2.403253
  C      -4.809947     -6.878758      2.125291
  C      -5.747378     -6.794754      3.323124
  N      -6.019698     -5.392223      3.576033
  Mo     -4.318829     -4.337980      4.059843
  N      -2.484472     -4.928327      4.721791
  C      -1.683820     -5.757926      3.815323
  C      -2.550562     -6.723145      3.037418
  H      -0.941583     -6.362542      4.362345
  H      -1.097629     -5.129626      3.114885
  H      -2.990807     -7.451663      3.734222
  H      -1.950779     -7.281108      2.291686
  H      -6.659787     -7.379211      3.121848
  H      -5.270669     -7.280633      4.197679
  H      -5.335323     -6.499817      1.238810
  H      -4.466591     -7.907085      1.909233
  H      -3.823033     -3.362017      0.285168
  H      -5.174858     -4.291836      0.937329
  H      -2.204251     -4.901983      1.350851
  H      -3.315131     -5.823627      0.298886
  C      -1.190621      0.070691      0.761312
  C      -1.232008     -0.692298      1.863407
  C      -0.451097     -0.332921      3.099532
  C      -2.038035     -1.974552      1.917812
  C      -3.550864     -1.858856      2.307197
  C      -4.339842     -1.043581      1.254425
  C      -3.700063     -1.127022      3.646865
  C      -7.150949     -6.290778      6.637246
  C      -7.994583     -5.478153      5.982199
  C      -8.672559     -4.331640      6.684497
  C      -8.330530     -5.696143      4.530483
  C      -7.426004     -4.979666      3.467787
  C      -7.992360     -5.358255      2.077936
  C      -7.553080     -3.459695      3.581916
  C      -2.778551     -6.178630      8.899445
  C      -2.591000     -6.405602      7.590089
  C      -3.523649     -7.280226      6.803981
  C      -1.417462     -5.810078      6.853564
  C      -1.708356     -4.559385      5.943051
  C      -0.340885     -3.967480      5.523543
  C      -2.399188     -3.509099      6.808962
  H      -0.614601      0.997078      0.732529
  H      -1.727586     -0.208190     -0.148873
  H      -1.088949     -0.356979      3.996800
  H       0.009808      0.660548      3.017072
  H       0.350981     -1.071367      3.271785
  H      -1.579361     -2.661357      2.648028
  H      -1.986831     -2.471184      0.936834
  H      -3.980977     -0.006715      1.241135
  H      -5.406603     -1.041818      1.516711
  H      -4.234457     -1.441419      0.236553
  H      -4.748426     -1.141198      3.969112
  H      -3.103732     -1.601456      4.436607
  H      -3.376584     -0.082977      3.539139
  H      -6.668605     -7.142135      6.152619
  H      -6.901319     -6.117193      7.686839
  H      -9.768748     -4.451796      6.657181
  H      -8.459054     -3.371106      6.197314
  H      -8.359166     -4.264866      7.733152
  H      -8.294738     -6.773343      4.314556
  H      -9.368192     -5.372160      4.341299
  H      -7.959413     -6.439812      1.893604
  H      -7.414330     -4.855311      1.291017
  H      -9.042319     -5.041113      1.990173
  H      -8.609289     -3.169823      3.476757
  H      -7.172185     -3.085417      4.537056
  H      -6.973623     -2.974915      2.783393
  H      -3.623983     -6.610105      9.439377
  H      -2.091302     -5.552329      9.471010
  H      -3.930497     -6.722810      5.947877
  H      -2.978532     -8.143915      6.384816
  H      -4.352829     -7.654171      7.418211
  H      -0.665075     -5.487009      7.589063
  H      -0.935436     -6.589589      6.239476
  H       0.318204     -4.712266      5.053473
  H       0.179608     -3.575124      6.408256
  H      -0.491629     -3.139178      4.813168
  H      -3.375021     -3.855602      7.166370
  H      -1.761787     -3.301849      7.680811
  H      -2.545365     -2.572856      6.252774
  N      -4.965661     -3.438122      5.430096
  H      -5.478325     -2.881347      6.113104
85
Coordinates from ORCA-job orca E -5421.400244854181
  N      -4.066750     -3.251592      2.412613
  C      -4.118191     -3.980633      1.137144
  C      -3.242885     -5.223130      1.218438
  N      -3.656489     -6.001485      2.403638
  C      -4.811766     -6.881341      2.126304
  C      -5.748298     -6.794742      3.323045
  N      -6.017317     -5.390986      3.574814
  Mo     -4.319119     -4.341236      4.063771
  N      -2.492092     -4.941071      4.729369
  C      -1.688027     -5.769578      3.823400
  C      -2.553521     -6.732270      3.041535
  H      -0.945319     -6.371813      4.371637
  H      -1.104237     -5.137286      3.125194
  H      -2.998683     -7.460226      3.735831
  H      -1.952048     -7.290858      2.297929
  H      -6.663279     -7.375044      3.121685
  H      -5.274108     -7.281246      4.198282
  H      -5.337484     -6.501343      1.240313
  H      -4.471386     -7.910981      1.910883
  H      -3.792827     -3.367708      0.283372
  H      -5.160313     -4.283395      0.927226
  H      -2.195163     -4.919701      1.348997
  H      -3.312038     -5.836195      0.299568
  C      -1.206347      0.086510      0.757841
  C      -1.241209     -0.673283      1.863095
  C      -0.453798     -0.313250      3.094610
  C      -2.034335     -1.962146      1.912568
  C      -3.548974     -1.860852      2.305604
  C      -4.350214     -1.054510      1.255221
  C      -3.704261     -1.132519      3.646782
  C      -7.139398     -6.278281      6.635346
  C      -7.980569     -5.461089      5.982757
  C      -8.643964     -4.305575      6.682801
  C      -8.326225     -5.683237      4.534122
  C      -7.423037     -4.974474      3.465077
  C      -7.993698     -5.359537      2.077885
  C      -7.545176     -3.453837      3.569823
  C      -2.770524     -6.206353      8.903453
  C      -2.582386     -6.425302      7.593185
  C      -3.514470     -7.297766      6.802270
  C      -1.414620     -5.816458      6.858863
  C      -1.718842     -4.566681      5.952155
  C      -0.360694     -3.956473      5.530628
  C      -2.423885     -3.527990      6.818670
  H      -0.635650      1.016805      0.725717
  H      -1.743584     -0.197316     -0.150545
  H      -1.084643     -0.323302      3.997511
  H       0.013842      0.676784      3.000800
  H       0.343816     -1.057540      3.266594
  H      -1.578597     -2.650099      2.644385
  H      -1.984876     -2.451961      0.927886
  H      -3.995868     -0.015830      1.235223
  H      -5.413138     -1.062617      1.530802
  H      -4.247041     -1.462142      0.241230
  H      -4.753903     -1.149256      3.962440
  H      -3.106912     -1.615302      4.432531
  H      -3.380056     -0.089423      3.537719
  H      -6.670771     -7.136114      6.149514
  H      -6.880838     -6.103981      7.682426
  H      -9.741800     -4.416413      6.661425
  H      -8.426461     -3.348942      6.190697
  H      -8.323533     -4.236868      7.728559
  H      -8.294707     -6.760961      4.322054
  H      -9.364260     -5.357846      4.349259
  H      -7.968630     -6.442046      1.900058
  H      -7.413723     -4.865013      1.287544
  H      -9.041384     -5.036584      1.988974
  H      -8.601208     -3.162204      3.470323
  H      -7.155501     -3.070406      4.518313
  H      -6.972946     -2.976564      2.762087
  H      -3.614602     -6.644671      9.440508
  H      -2.086338     -5.579689      9.478801
  H      -3.924760     -6.735930      5.949840
  H      -2.969336     -8.158079      6.376587
  H      -4.340762     -7.676007      7.417512
  H      -0.664507     -5.487664      7.593734
  H      -0.926658     -6.590472      6.243622
  H       0.305820     -4.690871      5.054972
  H       0.158307     -3.561598      6.415497
  H      -0.525225     -3.127207      4.824592
  H      -3.400686     -3.884149      7.164675
  H      -1.795572     -3.322937      7.698448
  H      -2.570781     -2.588729      6.267776
  N      -4.969115     -3.429477      5.424523
  H      -5.482148     -2.862530      6.098997
85
Coordinates from ORCA-job orca E -5421.400426402218
  N      -4.059085     -3.249684      2.412583
  C      -4.118292     -3.979967      1.138324
  C      -3.245793     -5.225188      1.219425
  N      -3.655471     -5.998716      2.407627
  C      -4.808126     -6.883467      2.134446
  C      -5.745825     -6.792845      3.329579
  N      -6.017639     -5.387623      3.572229
  Mo     -4.326034     -4.335368      4.067986
  N      -2.506143     -4.939736      4.742554
  C      -1.692940     -5.755497      3.832158
  C      -2.549938     -6.723829      3.048020
  H      -0.941617     -6.349411      4.376844
  H      -1.119920     -5.112016      3.135340
  H      -2.992454     -7.454073      3.740547
  H      -1.943869     -7.278775      2.305668
  H      -6.659733     -7.375190      3.130300
  H      -5.272489     -7.273072      4.208561
  H      -5.334780     -6.508759      1.246693
  H      -4.465030     -7.913382      1.924240
  H      -3.789548     -3.369328      0.284306
  H      -5.162993     -4.276834      0.931019
  H      -2.197164     -4.921454      1.343463
  H      -3.319078     -5.841415      0.303268
  C      -1.210215      0.091499      0.740237
  C      -1.236243     -0.673171      1.841253
  C      -0.432579     -0.323582      3.063644
  C      -2.032844     -1.959834      1.890229
  C      -3.543941     -1.859408      2.305565
  C      -4.359025     -1.045600      1.274108
  C      -3.678161     -1.139004      3.652136
  C      -7.147781     -6.283172      6.635449
  C      -7.976769     -5.455160      5.981724
  C      -8.621283     -4.288476      6.679220
  C      -8.327295     -5.678610      4.533944
  C      -7.424597     -4.974489      3.458832
  C      -7.994521     -5.372443      2.074623
  C      -7.551035     -3.452026      3.549594
  C      -2.758935     -6.248189      8.909101
  C      -2.572117     -6.445056      7.595436
  C      -3.497144     -7.316368      6.794659
  C      -1.414028     -5.812160      6.867422
  C      -1.736721     -4.562081      5.968627
  C      -0.389022     -3.931622      5.548170
  C      -2.454662     -3.539116      6.842414
  H      -0.637168      1.021082      0.707040
  H      -1.759094     -0.185935     -0.161728
  H      -1.052409     -0.321028      3.973168
  H       0.048944      0.659344      2.962704
  H       0.355156     -1.079463      3.227583
  H      -1.574882     -2.655460      2.611905
  H      -1.998309     -2.439931      0.900810
  H      -3.999069     -0.009096      1.251606
  H      -5.417513     -1.051122      1.570849
  H      -4.275232     -1.452450      0.258797
  H      -4.725341     -1.147702      3.978248
  H      -3.078164     -1.634774      4.425208
  H      -3.342457     -0.099142      3.543576
  H      -6.696280     -7.148849      6.148317
  H      -6.883192     -6.111706      7.681314
  H      -9.720720     -4.383970      6.658092
  H      -8.389829     -3.335021      6.185080
  H      -8.299168     -4.222469      7.725320
  H      -8.298765     -6.757725      4.323670
  H      -9.365292     -5.352613      4.351720
  H      -7.969898     -6.457209      1.905747
  H      -7.414001     -4.883822      1.279804
  H      -9.042621     -5.050060      1.983504
  H      -8.607732     -3.163401      3.453200
  H      -7.158396     -3.057733      4.490744
  H      -6.984991     -2.978890      2.733772
  H      -3.596919     -6.704715      9.440946
  H      -2.080314     -5.622803      9.492445
  H      -3.913908     -6.748028      5.949398
  H      -2.946076     -8.167282      6.358757
  H      -4.318761     -7.707917      7.407455
  H      -0.669321     -5.476626      7.604392
  H      -0.914559     -6.575574      6.248661
  H       0.283256     -4.652245      5.061369
  H       0.130074     -3.539104      6.434323
  H      -0.568646     -3.098409      4.852331
  H      -3.431808     -3.903753      7.173176
  H      -1.837299     -3.342449      7.731388
  H      -2.600615     -2.594760      6.304128
  N      -4.988001     -3.416084      5.418570
  H      -5.504501     -2.839523      6.082400
85
Coordinates from ORCA-job orca E -5421.400530393089
  N      -4.048139     -3.251428      2.410630
  C      -4.115040     -3.983390      1.139479
  C      -3.247189     -5.232371      1.221131
  N      -3.656395     -6.001803      2.411912
  C      -4.809601     -6.886881      2.141725
  C      -5.748411     -6.789134      3.335600
  N      -6.016704     -5.381286      3.570516
  Mo     -4.327377     -4.332320      4.070516
  N      -2.514471     -4.943674      4.751008
  C      -1.697298     -5.753503      3.838433
  C      -2.550819     -6.724859      3.055210
  H      -0.940936     -6.342420      4.381267
  H      -1.130961     -5.104954      3.141157
  H      -2.993433     -7.454618      3.748108
  H      -1.943538     -7.279957      2.314498
  H      -6.663346     -7.370164      3.137998
  H      -5.277882     -7.265468      4.217990
  H      -5.334974     -6.514838      1.252023
  H      -4.467411     -7.917684      1.936046
  H      -3.782411     -3.375101      0.285045
  H      -5.161410     -4.274727      0.933687
  H      -2.197787     -4.929396      1.341021
  H      -3.324024     -5.850694      0.307300
  C      -1.218349      0.098659      0.733427
  C      -1.235658     -0.666851      1.833743
  C      -0.428215     -0.313838      3.052528
  C      -2.028038     -1.955943      1.886890
  C      -3.540055     -1.861657      2.302201
  C      -4.355576     -1.051353      1.269203
  C      -3.677160     -1.139552      3.646663
  C      -7.164061     -6.281629      6.639830
  C      -7.978525     -5.444621      5.982215
  C      -8.611376     -4.271403      6.677702
  C      -8.327225     -5.668725      4.533641
  C      -7.423756     -4.967688      3.454711
  C      -7.992653     -5.373499      2.072122
  C      -7.551356     -3.442727      3.536333
  C      -2.736115     -6.287455      8.913086
  C      -2.555772     -6.464062      7.595320
  C      -3.476582     -7.334677      6.788693
  C      -1.406586     -5.812317      6.869958
  C      -1.745324     -4.562933      5.977561
  C      -0.406687     -3.915724      5.556420
  C      -2.473564     -3.552891      6.857974
  H      -0.649485      1.030570      0.697855
  H      -1.771343     -0.180516     -0.165568
  H      -1.044193     -0.300457      3.963815
  H       0.058820      0.664751      2.944207
  H       0.354171     -1.073244      3.219120
  H      -1.569460     -2.648876      2.610496
  H      -1.990707     -2.436822      0.897910
  H      -3.996446     -0.014829      1.240990
  H      -5.413178     -1.055329      1.567833
  H      -4.273616     -1.463490      0.255822
  H      -4.725699     -1.144441      3.967354
  H      -3.082648     -1.636078      4.423954
  H      -3.337661     -0.100577      3.537198
  H      -6.724367     -7.152649      6.152268
  H      -6.900287     -6.114423      7.686088
  H      -9.710471     -4.356337      6.653823
  H      -8.367057     -3.319970      6.183698
  H      -8.292782     -4.208414      7.725928
  H      -8.299651     -6.749159      4.324994
  H      -9.364487     -5.343120      4.350453
  H      -7.970782     -6.460368      1.909458
  H      -7.410252     -4.890237      1.273897
  H      -9.040256     -5.048689      1.979668
  H      -8.607724     -3.153523      3.443352
  H      -7.155289     -3.043415      4.472982
  H      -6.988615     -2.972658      2.715990
  H      -3.566136     -6.759790      9.443366
  H      -2.059319     -5.664248      9.501303
  H      -3.900062     -6.762553      5.949622
  H      -2.921180     -8.178540      6.344933
  H      -4.294226     -7.736566      7.400648
  H      -0.665358     -5.471465      7.608250
  H      -0.898401     -6.567278      6.247663
  H       0.268943     -4.623611      5.057434
  H       0.114429     -3.527442      6.443006
  H      -0.599338     -3.077349      4.871634
  H      -3.447637     -3.930700      7.188745
  H      -1.856723     -3.354161      7.748570
  H      -2.631515     -2.606756      6.323969
  N      -4.998420     -3.410845      5.415141
  H      -5.516103     -2.826953      6.070967
85
Coordinates from ORCA-job orca E -5421.400603459066
  N      -4.048570     -3.251946      2.409664
  C      -4.119836     -3.984496      1.141087
  C      -3.251722     -5.233871      1.221951
  N      -3.658114     -6.003354      2.413797
  C      -4.809116     -6.892042      2.145427
  C      -5.750101     -6.791118      3.337979
  N      -6.019469     -5.382113      3.565770
  Mo     -4.334507     -4.330306      4.070986
  N      -2.526051     -4.942358      4.757276
  C      -1.702844     -5.743989      3.842637
  C      -2.549779     -6.720625      3.059013
  H      -0.940562     -6.326745      4.383705
  H      -1.143429     -5.089828      3.145082
  H      -2.989735     -7.452267      3.751527
  H      -1.939221     -7.272931      2.318937
  H      -6.663895     -7.374091      3.141661
  H      -5.280514     -7.262478      4.223364
  H      -5.333643     -6.524190      1.253495
  H      -4.464197     -7.922580      1.943836
  H      -3.785889     -3.376680      0.286607
  H      -5.166278     -4.275295      0.935421
  H      -2.202800     -4.928524      1.339673
  H      -3.329341     -5.852819      0.308830
  C      -1.216882      0.102527      0.740023
  C      -1.232746     -0.671622      1.833645
  C      -0.421337     -0.328023      3.051777
  C      -2.030011     -1.957992      1.883594
  C      -3.541270     -1.863661      2.302286
  C      -4.356499     -1.049146      1.273962
  C      -3.671525     -1.143498      3.646999
  C      -7.173803     -6.281573      6.646158
  C      -7.967613     -5.427888      5.983307
  C      -8.566636     -4.231716      6.670145
  C      -8.327684     -5.657409      4.538534
  C      -7.427047     -4.971183      3.448240
  C      -7.999725     -5.394947      2.073532
  C      -7.554562     -3.445536      3.508682
  C      -2.717818     -6.324847      8.911744
  C      -2.541268     -6.479739      7.590795
  C      -3.452843     -7.352465      6.775848
  C      -1.402297     -5.804061      6.870879
  C      -1.759906     -4.556385      5.984308
  C      -0.432148     -3.886188      5.565394
  C      -2.503657     -3.561655      6.868887
  H      -0.644598      1.032507      0.708817
  H      -1.773396     -0.168634     -0.158553
  H      -1.039268     -0.304453      3.961479
  H       0.080738      0.643496      2.943085
  H       0.349971     -1.098626      3.221428
  H      -1.569845     -2.654379      2.601553
  H      -1.993964     -2.434901      0.893773
  H      -3.994816     -0.013979      1.245192
  H      -5.413841     -1.047900      1.574282
  H      -4.280577     -1.459408      0.259430
  H      -4.719632     -1.144214      3.969918
  H      -3.079050     -1.640609      4.424659
  H      -3.327872     -0.105702      3.539128
  H      -6.761128     -7.168322      6.163291
  H      -6.900481     -6.113623      7.689667
  H      -9.668465     -4.287051      6.649365
  H      -8.298115     -3.290696      6.168213
  H      -8.242747     -4.168826      7.717160
  H      -8.309327     -6.739210      4.336946
  H      -9.363848     -5.324695      4.359407
  H      -7.983517     -6.483727      1.927160
  H      -7.416982     -4.926585      1.267248
  H      -9.045908     -5.066373      1.978804
  H      -8.612190     -3.157394      3.420061
  H      -7.150858     -3.034910      4.437049
  H      -6.996231     -2.985878      2.678967
  H      -3.538879     -6.816414      9.438215
  H      -2.046671     -5.700249      9.506176
  H      -3.884157     -6.776112      5.943256
  H      -2.888357     -8.185499      6.323516
  H      -4.265598     -7.770088      7.384060
  H      -0.668189     -5.455227      7.612476
  H      -0.880214     -6.547894      6.246667
  H       0.250387     -4.578300      5.054588
  H       0.088136     -3.501096      6.453365
  H      -0.639481     -3.041969      4.892132
  H      -3.473314     -3.953341      7.192324
  H      -1.894225     -3.361663      7.762614
  H      -2.672006     -2.613959      6.341523
  N      -5.016107     -3.411964      5.413209
  H      -5.535190     -2.822593      6.063243
85
Coordinates from ORCA-job orca E -5421.400655026516
  N      -4.049455     -3.253000      2.409426
  C      -4.118924     -3.985642      1.142054
  C      -3.251154     -5.235021      1.225145
  N      -3.659629     -6.005026      2.416022
  C      -4.809447     -6.894642      2.146162
  C      -5.753772     -6.791216      3.336199
  N      -6.023415     -5.381594      3.558707
  Mo     -4.341644     -4.328690      4.071525
  N      -2.536853     -4.942544      4.764386
  C      -1.709536     -5.740262      3.850179
  C      -2.551676     -6.719484      3.064666
  H      -0.945340     -6.320028      4.391870
  H      -1.151637     -5.084133      3.153190
  H      -2.991840     -7.452146      3.756202
  H      -1.937543     -7.270371      2.326170
  H      -6.666780     -7.375105      3.139744
  H      -5.285857     -7.259608      4.223990
  H      -5.331520     -6.529338      1.251763
  H      -4.463215     -7.925377      1.947861
  H      -3.782218     -3.378697      0.287934
  H      -5.164564     -4.277155      0.932953
  H      -2.202706     -4.929209      1.345355
  H      -3.326937     -5.853558      0.311444
  C      -1.219161      0.101183      0.736236
  C      -1.233317     -0.672871      1.830981
  C      -0.424159     -0.324681      3.050071
  C      -2.029736     -1.959911      1.885547
  C      -3.541197     -1.865404      2.301678
  C      -4.353324     -1.050373      1.271728
  C      -3.671159     -1.142802      3.644617
  C      -7.179664     -6.288383      6.646651
  C      -7.957034     -5.419533      5.983500
  C      -8.524315     -4.205455      6.667003
  C      -8.328403     -5.648532      4.541097
  C      -7.431158     -4.970915      3.442473
  C      -8.008716     -5.403096      2.072293
  C      -7.555841     -3.444233      3.491532
  C      -2.704035     -6.352801      8.911961
  C      -2.531112     -6.493371      7.588773
  C      -3.435841     -7.368352      6.768378
  C      -1.400451     -5.800788      6.872083
  C      -1.772125     -4.553920      5.991178
  C      -0.451957     -3.868910      5.572331
  C      -2.523493     -3.570243      6.882394
  H      -0.647426      1.031230      0.703063
  H      -1.775017     -0.171990     -0.162890
  H      -1.046436     -0.292099      3.956498
  H       0.082839      0.642986      2.937916
  H       0.342049     -1.097502      3.229455
  H      -1.567094     -2.652496      2.605801
  H      -1.990984     -2.442299      0.897902
  H      -3.990222     -0.015890      1.242025
  H      -5.411479     -1.045080      1.568797
  H      -4.277872     -1.460656      0.257118
  H      -4.719452     -1.142666      3.967199
  H      -3.079712     -1.635890      4.425827
  H      -3.327880     -0.105041      3.536341
  H      -6.790938     -7.187132      6.165042
  H      -6.896409     -6.122346      7.687919
  H      -9.626941     -4.234886      6.653433
  H      -8.237158     -3.274842      6.157893
  H      -8.192631     -4.143250      7.711031
  H      -8.318490     -6.731290      4.342100
  H      -9.363371     -5.307673      4.367792
  H      -7.998594     -6.493219      1.934544
  H      -7.425970     -4.944166      1.260337
  H      -9.053280     -5.069507      1.978055
  H      -8.612470     -3.153890      3.405290
  H      -7.146669     -3.028478      4.415426
  H      -6.999022     -2.993011      2.657083
  H      -3.517913     -6.858116      9.436434
  H      -2.037281     -5.726751      9.510073
  H      -3.873749     -6.789880      5.940778
  H      -2.864048     -8.192986      6.309423
  H      -4.243862     -7.798217      7.374778
  H      -0.671304     -5.446906      7.616423
  H      -0.868531     -6.535905      6.245807
  H       0.233384     -4.550215      5.050416
  H       0.070387     -3.488502      6.461520
  H      -0.669296     -3.019155      4.908985
  H      -3.488520     -3.973253      7.208547
  H      -1.912330     -3.366245      7.774934
  H      -2.704491     -2.623273      6.358325
  N      -5.029349     -3.411022      5.411541
  H      -5.547312     -2.815367      6.056927
85
Coordinates from ORCA-job orca E -5421.400695591286
  N      -4.050587     -3.253725      2.410558
  C      -4.117300     -3.985626      1.142951
  C      -3.250589     -5.235501      1.228222
  N      -3.661695     -6.006737      2.417553
  C      -4.810546     -6.896601      2.145640
  C      -5.757943     -6.791255      3.333208
  N      -6.028051     -5.381219      3.550656
  Mo     -4.348383     -4.328084      4.071877
  N      -2.546380     -4.944341      4.770771
  C      -1.716025     -5.739598      3.856972
  C      -2.554375     -6.719770      3.068199
  H      -0.951760     -6.318296      4.399567
  H      -1.157316     -5.082548      3.161374
  H      -2.994792     -7.454303      3.757589
  H      -1.937075     -7.268397      2.330584
  H      -6.670333     -7.375958      3.136578
  H      -5.291371     -7.257118      4.223051
  H      -5.330119     -6.533102      1.249077
  H      -4.463458     -7.927643      1.949999
  H      -3.778101     -3.379659      0.288984
  H      -5.162170     -4.277482      0.930303
  H      -2.202321     -4.930835      1.351864
  H      -3.324736     -5.852831      0.313443
  C      -1.223835      0.102326      0.735732
  C      -1.235515     -0.671040      1.831713
  C      -0.427162     -0.318269      3.050783
  C      -2.029673     -1.959451      1.890291
  C      -3.541604     -1.866041      2.302707
  C      -4.351933     -1.053106      1.269600
  C      -3.674705     -1.141460      3.644349
  C      -7.178952     -6.292654      6.645543
  C      -7.939165     -5.407387      5.983994
  C      -8.469220     -4.174940      6.665790
  C      -8.327217     -5.636073      4.546036
  C      -7.435857     -4.971088      3.435856
  C      -8.020951     -5.418014      2.074226
  C      -7.557931     -3.444785      3.465376
  C      -2.698921     -6.377639      8.910605
  C      -2.524696     -6.507080      7.586550
  C      -3.419705     -7.384813      6.758849
  C      -1.400833     -5.798538      6.875534
  C      -1.784027     -4.553511      5.997794
  C      -0.470322     -3.855469      5.580788
  C      -2.543821     -3.579523      6.893044
  H      -0.652866      1.032426      0.700301
  H      -1.779963     -0.172656     -0.163259
  H      -1.054361     -0.272920      3.953943
  H       0.087439      0.644557      2.932968
  H       0.331870     -1.095358      3.241857
  H      -1.563966     -2.647451      2.613549
  H      -1.987737     -2.447774      0.905229
  H      -3.988962     -0.018436      1.238838
  H      -5.410840     -1.046403      1.562981
  H      -4.275080     -1.464326      0.255174
  H      -4.723169     -1.144164      3.966106
  H      -3.081976     -1.628962      4.428674
  H      -3.335598     -0.102664      3.535824
  H      -6.817834     -7.204224      6.165637
  H      -6.883012     -6.128506      7.683619
  H      -9.572233     -4.174110      6.658651
  H      -8.158825     -3.255040      6.150337
  H      -8.129739     -4.116874      7.708102
  H      -8.327725     -6.719113      4.351851
  H      -9.361011     -5.285803      4.381790
  H      -8.018059     -6.509311      1.950714
  H      -7.439307     -4.973422      1.254214
  H      -9.063727     -5.079260      1.979843
  H      -8.615119     -3.154265      3.381546
  H      -7.141536     -3.018773      4.381451
  H      -7.003588     -3.006737      2.622129
  H      -3.507368     -6.895425      9.431074
  H      -2.039361     -5.749136      9.513419
  H      -3.863160     -6.804108      5.936248
  H      -2.838605     -8.199206      6.293008
  H      -4.223078     -7.828626      7.361298
  H      -0.679348     -5.438365      7.624312
  H      -0.856919     -6.525530      6.250102
  H       0.218303     -4.528001      5.051698
  H       0.052001     -3.478047      6.471416
  H      -0.694531     -3.001925      4.924636
  H      -3.503948     -3.993342      7.220791
  H      -1.932702     -3.370122      7.784283
  H      -2.736899     -2.634210      6.370668
  N      -5.039333     -3.410498      5.410396
  H      -5.553355     -2.806822      6.051757
85
Coordinates from ORCA-job orca E -5421.400730030237
  N      -4.051790     -3.255949      2.410799
  C      -4.113412     -3.987467      1.142174
  C      -3.247332     -5.237335      1.230816
  N      -3.662814     -6.009241      2.418108
  C      -4.812587     -6.896559      2.142259
  C      -5.761768     -6.791832      3.328262
  N      -6.030434     -5.381920      3.547566
  Mo     -4.349008     -4.331154      4.071774
  N      -2.545494     -4.946560      4.770167
  C      -1.717444     -5.748327      3.859860
  C      -2.558192     -6.725551      3.069643
  H      -0.958393     -6.330533      4.406109
  H      -1.151988     -5.096166      3.165010
  H      -3.001463     -7.459325      3.757905
  H      -1.941364     -7.275454      2.332535
  H      -6.674722     -7.375015      3.129735
  H      -5.296584     -7.259802      4.217803
  H      -5.329850     -6.530795      1.245291
  H      -4.466670     -7.927889      1.945542
  H      -3.770886     -3.382576      0.288793
  H      -5.157501     -4.279202      0.925099
  H      -2.199322     -4.933927      1.359286
  H      -3.318443     -5.853842      0.315124
  C      -1.228092      0.106488      0.741816
  C      -1.238964     -0.668589      1.836539
  C      -0.432672     -0.315957      3.057046
  C      -2.030910     -1.958715      1.893063
  C      -3.543407     -1.867070      2.302374
  C      -4.353880     -1.057474      1.266593
  C      -3.680549     -1.140446      3.643043
  C      -7.181247     -6.305575      6.639221
  C      -7.936248     -5.412633      5.982591
  C      -8.453663     -4.177280      6.668320
  C      -8.328775     -5.634625      4.544710
  C      -7.437705     -4.968563      3.434947
  C      -8.025379     -5.411119      2.072630
  C      -7.555520     -3.441557      3.468121
  C      -2.705996     -6.365206      8.911595
  C      -2.526042     -6.502033      7.589069
  C      -3.416195     -7.384973      6.762102
  C      -1.401047     -5.794832      6.878542
  C      -1.781885     -4.553090      5.995271
  C      -0.466314     -3.860222      5.575317
  C      -2.539209     -3.573484      6.886917
  H      -0.658177      1.037269      0.708070
  H      -1.783632     -0.167424     -0.157796
  H      -1.064179     -0.265270      3.957278
  H       0.086039      0.644743      2.938642
  H       0.322018     -1.095702      3.254350
  H      -1.564655     -2.645084      2.617499
  H      -1.986884     -2.448599      0.908908
  H      -3.993403     -0.021649      1.237431
  H      -5.413723     -1.054588      1.556947
  H      -4.272471     -1.468724      0.252391
  H      -4.729401     -1.146656      3.963730
  H      -3.086394     -1.624010      4.428474
  H      -3.345099     -0.100549      3.532887
  H      -6.828367     -7.218524      6.155684
  H      -6.881352     -6.146477      7.677032
  H      -9.556250     -4.166909      6.665732
  H      -8.136963     -3.260927      6.151897
  H      -8.110315     -4.122463      7.708818
  H      -8.333226     -6.717218      4.347677
  H      -9.361598     -5.279741      4.384421
  H      -8.027419     -6.502576      1.946834
  H      -7.442607     -4.967234      1.252576
  H      -9.066765     -5.067475      1.979846
  H      -8.611174     -3.146832      3.382072
  H      -7.139920     -3.019255      4.386640
  H      -6.997211     -3.005196      2.626903
  H      -3.515528     -6.881838      9.431704
  H      -2.050892     -5.731611      9.513581
  H      -3.861280     -6.807387      5.938108
  H      -2.830785     -8.196842      6.297129
  H      -4.217915     -7.831677      7.364470
  H      -0.682951     -5.430765      7.628827
  H      -0.853478     -6.523644      6.258140
  H       0.220140     -4.537201      5.048609
  H       0.057377     -3.481577      6.464611
  H      -0.686829     -3.007849      4.916035
  H      -3.497745     -3.985837      7.221270
  H      -1.924782     -3.357200      7.773939
  H      -2.735308     -2.631972      6.358320
  N      -5.036468     -3.412090      5.410647
  H      -5.545970     -2.804176      6.051543
85
Coordinates from ORCA-job orca E -5421.400768992824
  N      -4.052088     -3.257587      2.411074
  C      -4.109612     -3.989337      1.141329
  C      -3.244549     -5.239679      1.233228
  N      -3.664477     -6.011319      2.418881
  C      -4.815678     -6.895690      2.139652
  C      -5.766641     -6.790390      3.324028
  N      -6.032809     -5.380157      3.544183
  Mo     -4.348789     -4.333983      4.071289
  N      -2.543327     -4.948943      4.769027
  C      -1.718643     -5.758121      3.862167
  C      -2.563149     -6.731785      3.071265
  H      -0.965606     -6.344983      4.411891
  H      -1.145923     -5.111259      3.168273
  H      -3.009699     -7.464080      3.758674
  H      -1.947464     -7.284018      2.334979
  H      -6.680730     -7.371250      3.123390
  H      -5.303638     -7.260561      4.213669
  H      -5.330521     -6.527430      1.242327
  H      -4.471890     -7.927677      1.942221
  H      -3.764569     -3.385913      0.288065
  H      -5.153512     -4.280116      0.921500
  H      -2.196642     -4.937783      1.365922
  H      -3.312834     -5.855883      0.317034
  C      -1.230746      0.109223      0.746870
  C      -1.242643     -0.664377      1.842997
  C      -0.439950     -0.309192      3.065034
  C      -2.031517     -1.956807      1.898370
  C      -3.545460     -1.866905      2.302327
  C      -4.355701     -1.061327      1.262353
  C      -3.690925     -1.139303      3.642221
  C      -7.181705     -6.323627      6.628076
  C      -7.931605     -5.420355      5.980577
  C      -8.437241     -4.186621      6.677237
  C      -8.330491     -5.630581      4.542625
  C      -7.439244     -4.963753      3.433645
  C      -8.028771     -5.404703      2.071680
  C      -7.553424     -3.436679      3.467230
  C      -2.720384     -6.344962      8.911793
  C      -2.530600     -6.494518      7.591995
  C      -3.414468     -7.384685      6.766530
  C      -1.402079     -5.792001      6.882233
  C      -1.777437     -4.553303      5.991954
  C      -0.457578     -3.871200      5.567832
  C      -2.528425     -3.564607      6.879401
  H      -0.661844      1.041118      0.713115
  H      -1.784623     -0.165812     -0.153407
  H      -1.075909     -0.249326      3.961672
  H       0.083400      0.648651      2.943236
  H       0.309115     -1.091544      3.271429
  H      -1.567048     -2.640795      2.626586
  H      -1.983768     -2.449009      0.915416
  H      -3.999670     -0.023822      1.236364
  H      -5.416763     -1.065403      1.548425
  H      -4.266241     -1.472190      0.248916
  H      -4.740948     -1.149282      3.958918
  H      -3.096985     -1.620877      4.428548
  H      -3.358982     -0.098525      3.531296
  H      -6.836530     -7.235465      6.137240
  H      -6.878130     -6.173808      7.666113
  H      -9.539429     -4.167021      6.677618
  H      -8.113125     -3.269900      6.165686
  H      -8.091776     -4.141860      7.717622
  H      -8.341147     -6.712039      4.340047
  H      -9.362057     -5.269810      4.388470
  H      -8.034762     -6.496187      1.945760
  H      -7.444660     -4.962565      1.251539
  H      -9.069204     -5.057583      1.979174
  H      -8.608360     -3.139482      3.377957
  H      -7.139356     -3.015464      4.386535
  H      -6.991087     -3.002862      2.626554
  H      -3.533077     -6.857548      9.431239
  H      -2.071129     -5.704406      9.512328
  H      -3.860579     -6.811587      5.940129
  H      -2.823859     -8.194067      6.303788
  H      -4.214896     -7.833838      7.368709
  H      -0.687066     -5.424668      7.634025
  H      -0.851863     -6.524176      6.267794
  H       0.224514     -4.556393      5.045493
  H       0.068454     -3.491082      6.455241
  H      -0.671427     -3.021209      4.903072
  H      -3.486043     -3.971313      7.221375
  H      -1.909490     -3.342697      7.761318
  H      -2.724393     -2.627222      6.344438
  N      -5.030319     -3.413395      5.411678
  H      -5.532458     -2.799423      6.052848
85
Coordinates from ORCA-job orca E -5421.400801287271
  N      -4.052153     -3.258519      2.410396
  C      -4.108747     -3.991390      1.140652
  C      -3.243675     -5.241756      1.234202
  N      -3.665566     -6.012486      2.419604
  C      -4.817113     -6.896181      2.138318
  C      -5.770503     -6.789311      3.320503
  N      -6.035187     -5.378379      3.539702
  Mo     -4.350357     -4.335431      4.069672
  N      -2.544107     -4.949052      4.769480
  C      -1.720099     -5.761088      3.864491
  C      -2.565664     -6.734007      3.073435
  H      -0.969701     -6.349857      4.415889
  H      -1.144566     -5.116049      3.171238
  H      -3.013711     -7.465515      3.760495
  H      -1.949882     -7.287502      2.338204
  H      -6.685107     -7.368823      3.118105
  H      -5.309950     -7.260015      4.211134
  H      -5.329709     -6.527361      1.239926
  H      -4.474171     -7.928628      1.941912
  H      -3.763207     -3.388643      0.287155
  H      -5.152977     -4.281423      0.921176
  H      -2.196009     -4.939538      1.368380
  H      -3.310026     -5.858680      0.318372
  C      -1.229634      0.108790      0.750721
  C      -1.243554     -0.664614      1.846532
  C      -0.443229     -0.310084      3.069689
  C      -2.032536     -1.956999      1.899316
  C      -3.547027     -1.866933      2.301431
  C      -4.357512     -1.063254      1.260027
  C      -3.695958     -1.139642      3.641279
  C      -7.181414     -6.346185      6.617951
  C      -7.922781     -5.429660      5.979333
  C      -8.408495     -4.193843      6.685317
  C      -8.331431     -5.627204      4.542264
  C      -7.441067     -4.960164      3.432364
  C      -8.033499     -5.399026      2.070560
  C      -7.552607     -3.432154      3.467403
  C      -2.737197     -6.329803      8.910466
  C      -2.535934     -6.488498      7.593569
  C      -3.410576     -7.386978      6.767500
  C      -1.404943     -5.786396      6.887145
  C      -1.777971     -4.550384      5.991331
  C      -0.456145     -3.873234      5.565478
  C      -2.527054     -3.556890      6.874547
  H      -0.660835      1.040977      0.718570
  H      -1.782971     -0.165059     -0.149792
  H      -1.082517     -0.238435      3.963018
  H       0.088732      0.642901      2.944103
  H       0.297620     -1.098011      3.284354
  H      -1.570853     -2.641841      2.628223
  H      -1.983651     -2.447692      0.916094
  H      -4.004224     -0.024495      1.235840
  H      -5.419183     -1.072025      1.545102
  H      -4.263721     -1.474021      0.246856
  H      -4.746570     -1.150339      3.956137
  H      -3.102561     -1.622230      4.427187
  H      -3.364368     -0.098606      3.529796
  H      -6.849476     -7.259145      6.120760
  H      -6.871270     -6.205710      7.655156
  H      -9.510482     -4.158147      6.689692
  H      -8.072767     -3.278803      6.178167
  H      -8.058746     -4.160751      7.724576
  H      -8.350816     -6.707490      4.332879
  H      -9.361510     -5.259052      4.396409
  H      -8.041162     -6.490743      1.943459
  H      -7.449962     -4.956362      1.249693
  H      -9.073940     -5.050486      1.980354
  H      -8.606202     -3.132142      3.374432
  H      -7.141039     -3.011747      4.387943
  H      -6.986547     -2.999610      2.628456
  H      -3.552220     -6.841356      9.427243
  H      -2.095499     -5.682106      9.511393
  H      -3.858417     -6.817450      5.939517
  H      -2.812783     -8.191822      6.306418
  H      -4.209404     -7.841335      7.367751
  H      -0.694204     -5.415228      7.640953
  H      -0.850345     -6.519286      6.277657
  H       0.224716     -4.562940      5.047935
  H       0.069608     -3.490072      6.451480
  H      -0.666765     -3.026360      4.895958
  H      -3.483300     -3.962119      7.221667
  H      -1.905603     -3.329716      7.753186
  H      -2.724854     -2.622407      6.335074
  N      -5.030340     -3.414449      5.410410
  H      -5.525518     -2.793616      6.050589
85
Coordinates from ORCA-job orca E -5410.848453624329
  N      -4.051630     -3.258786      2.408704
  C      -4.107514     -3.992721      1.139413
  C      -3.242140     -5.242798      1.233851
  N      -3.665864     -6.012489      2.419363
  C      -4.818238     -6.895149      2.136497
  C      -5.773215     -6.787392      3.317252
  N      -6.035892     -5.375862      3.537304
  Mo     -4.349771     -4.336516      4.066939
  N      -2.542138     -4.947625      4.767452
  C      -1.719905     -5.763677      3.864878
  C      -2.567760     -6.735433      3.074907
  H      -0.972289     -6.354772      4.417921
  H      -1.141753     -5.121268      3.171492
  H      -3.017962     -7.464917      3.762784
  H      -1.952930     -7.291589      2.340899
  H      -6.688404     -7.365127      3.112558
  H      -5.315217     -7.259594      4.208316
  H      -5.329098     -6.525208      1.237573
  H      -4.476400     -7.927891      1.940411
  H      -3.762096     -3.389461      0.286279
  H      -5.151981     -4.282426      0.921007
  H      -2.194843     -4.939450      1.368853
  H      -3.306515     -5.860628      0.318601
  C      -1.224758      0.104771      0.751856
  C      -1.242560     -0.666201      1.848966
  C      -0.446577     -0.309815      3.074026
  C      -2.032572     -1.957998      1.900430
  C      -3.547575     -1.867028      2.300281
  C      -4.356470     -1.063506      1.257789
  C      -3.699013     -1.140794      3.640129
  C      -7.181005     -6.369114      6.607621
  C      -7.919405     -5.443959      5.978730
  C      -8.399490     -4.214202      6.697861
  C      -8.332609     -5.627449      4.541399
  C      -7.441513     -4.956581      3.434016
  C      -8.034609     -5.389190      2.070461
  C      -7.552618     -3.428243      3.475821
  C      -2.757444     -6.304594      8.908221
  C      -2.544911     -6.477116      7.594684
  C      -3.413234     -7.384168      6.771394
  C      -1.408605     -5.781972      6.889307
  C      -1.774869     -4.547141      5.987911
  C      -0.448624     -3.879528      5.559784
  C      -2.518580     -3.545403      6.865914
  H      -0.656239      1.037259      0.720265
  H      -1.775458     -0.170480     -0.149731
  H      -1.088288     -0.231055      3.964418
  H       0.089492      0.640342      2.946268
  H       0.289830     -1.099613      3.294788
  H      -1.574704     -2.644024      2.630190
  H      -1.982547     -2.446979      0.916509
  H      -4.006810     -0.023719      1.237424
  H      -5.418891     -1.077267      1.539861
  H      -4.256774     -1.471904      0.244516
  H      -4.750302     -1.150871      3.952693
  H      -3.107789     -1.626056      4.425902
  H      -3.366186     -0.100006      3.529239
  H      -6.852873     -7.278538      6.102140
  H      -6.868941     -6.239078      7.645497
  H      -9.501360     -4.172853      6.701747
  H      -8.058442     -3.294477      6.201881
  H      -8.050473     -4.195561      7.737993
  H      -8.358876     -6.705775      4.322731
  H      -9.361346     -5.254104      4.401418
  H      -8.040141     -6.480326      1.938461
  H      -7.452245     -4.941512      1.251469
  H      -9.075871     -5.042436      1.982826
  H      -8.605784     -3.127045      3.379436
  H      -7.145345     -3.011458      4.399815
  H      -6.983091     -2.991730      2.640833
  H      -3.576676     -6.810539      9.423991
  H      -2.120476     -5.650447      9.507332
  H      -3.860882     -6.819907      5.939595
  H      -2.811146     -8.188832      6.315846
  H      -4.212487     -7.838241      7.371328
  H      -0.698139     -5.410702      7.643363
  H      -0.855300     -6.518309      6.282851
  H       0.229736     -4.576141      5.048135
  H       0.077363     -3.493283      6.444200
  H      -0.654433     -3.036202      4.884081
  H      -3.475374     -3.944689      7.217504
  H      -1.894449     -3.315768      7.741825
  H      -2.713269     -2.612817      6.322104
  N      -5.026603     -3.416344      5.409919
  H      -5.514513     -2.790619      6.050840
85
Coordinates from ORCA-job orca E -5421.400744375815
  N      -4.050290     -3.259069      2.403860
  C      -4.104260     -3.996199      1.135941
  C      -3.237886     -5.245392      1.232895
  N      -3.666681     -6.012041      2.418833
  C      -4.821297     -6.891921      2.131565
  C      -5.780789     -6.781554      3.308207
  N      -6.037965     -5.368372      3.530604
  Mo     -4.348280     -4.339124      4.059056
  N      -2.536615     -4.943101      4.761744
  C      -1.719286     -5.770273      3.866096
  C      -2.573613     -6.738803      3.079282
  H      -0.979558     -6.367913      4.423722
  H      -1.133871     -5.135238      3.172376
  H      -3.029818     -7.462514      3.769508
  H      -1.961437     -7.302493      2.348840
  H      -6.697524     -7.354379      3.097036
  H      -5.330009     -7.257874      4.200506
  H      -5.327215     -6.518989      1.231077
  H      -4.482513     -7.925494      1.936554
  H      -3.759466     -3.391482      0.283724
  H      -5.149423     -4.285090      0.920884
  H      -2.191654     -4.938708      1.370055
  H      -3.296650     -5.865918      0.319408
  C      -1.209757      0.092497      0.754530
  C      -1.239061     -0.671194      1.855458
  C      -0.455486     -0.309427      3.085799
  C      -2.032482     -1.961019      1.903339
  C      -3.548905     -1.866943      2.296812
  C      -4.353072     -1.063658      1.251217
  C      -3.707229     -1.143615      3.636606
  C      -7.179048     -6.435424      6.577126
  C      -7.908847     -5.485964      5.976893
  C      -8.372355     -4.274532      6.733692
  C      -8.335563     -5.628729      4.539727
  C      -7.442889     -4.946589      3.439370
  C      -8.038121     -5.361323      2.071070
  C      -7.553208     -3.417482      3.500617
  C      -2.816942     -6.231339      8.899618
  C      -2.571842     -6.443694      7.597099
  C      -3.422167     -7.375043      6.782324
  C      -1.419884     -5.769071      6.895590
  C      -1.766405     -4.537801      5.978309
  C      -0.427860     -3.897587      5.544603
  C      -2.494694     -3.513110      6.841004
  H      -0.641753      1.025675      0.724331
  H      -1.752944     -0.186811     -0.150018
  H      -1.103885     -0.209918      3.967496
  H       0.092700      0.632257      2.951828
  H       0.267749     -1.104549      3.324130
  H      -1.585799     -2.650550      2.635478
  H      -1.979393     -2.445130      0.917455
  H      -4.013729     -0.021105      1.241655
  H      -5.417473     -1.091509      1.524674
  H      -4.236575     -1.465234      0.237854
  H      -4.760380     -1.151608      3.942731
  H      -3.122278     -1.636718      4.421839
  H      -3.370614     -0.103633      3.527328
  H      -6.862043     -7.334265      6.048002
  H      -6.861249     -6.335419      7.616262
  H      -9.473714     -4.216586      6.736965
  H      -8.015817     -3.342291      6.270139
  H      -8.025486     -4.297691      7.775219
  H      -8.381674     -6.700711      4.294337
  H      -9.360379     -5.240942      4.417485
  H      -8.037114     -6.450640      1.924934
  H      -7.459535     -4.899007      1.257506
  H      -9.081876     -5.020224      1.991024
  H      -8.605115     -3.112933      3.394548
  H      -7.158327     -3.011035      4.434294
  H      -6.973970     -2.969608      2.677070
  H      -3.648534     -6.720884      9.411800
  H      -2.193418     -5.558893      9.493017
  H      -3.868870     -6.825933      5.939608
  H      -2.808126     -8.179252      6.342846
  H      -4.222863     -7.827979      7.381324
  H      -0.710326     -5.397671      7.650553
  H      -0.870373     -6.515113      6.297792
  H       0.243202     -4.613703      5.050290
  H       0.098481     -3.502573      6.424581
  H      -0.619946     -3.064843      4.851309
  H      -3.452946     -3.895454      7.204712
  H      -1.863050     -3.276928      7.709213
  H      -2.680352     -2.586043      6.284907
  N      -5.015891     -3.421016      5.408594
  H      -5.481100     -2.782656      6.053668
85
Coordinates from ORCA-job orca E -5421.400851860773
  N      -4.050899     -3.257228      2.406739
  C      -4.108297     -3.992541      1.138659
  C      -3.242250     -5.242039      1.233073
  N      -3.666285     -6.010172      2.419638
  C      -4.818010     -6.894044      2.136153
  C      -5.775648     -6.784422      3.314383
  N      -6.038049     -5.372031      3.531936
  Mo     -4.353213     -4.334599      4.063448
  N      -2.546381     -4.943200      4.769296
  C      -1.722356     -5.757614      3.867304
  C      -2.568498     -6.731167      3.077823
  H      -0.973719     -6.347844      4.420058
  H      -1.146042     -5.113961      3.173668
  H      -3.019157     -7.459807      3.766382
  H      -1.952560     -7.288134      2.345380
  H      -6.690437     -7.361961      3.107555
  H      -5.320560     -7.255628      4.207284
  H      -5.326870     -6.525670      1.235445
  H      -4.475477     -7.926940      1.942925
  H      -3.764553     -3.388211      0.285607
  H      -5.153165     -4.282670      0.923301
  H      -2.195369     -4.936751      1.367211
  H      -3.305484     -5.861411      0.318961
  C      -1.215354      0.094863      0.745013
  C      -1.238153     -0.670972      1.845431
  C      -0.444801     -0.310690      3.070832
  C      -2.031158     -1.960358      1.899067
  C      -3.546063     -1.866613      2.298818
  C      -4.352830     -1.061444      1.256810
  C      -3.695719     -1.141731      3.638850
  C      -7.179255     -6.398686      6.597649
  C      -7.907463     -5.458200      5.979479
  C      -8.365960     -4.228177      6.711454
  C      -8.332570     -5.625786      4.543918
  C      -7.444012     -4.954314      3.434436
  C      -8.040372     -5.385851      2.072037
  C      -7.556672     -3.425735      3.477165
  C      -2.778626     -6.293359      8.904628
  C      -2.554187     -6.472607      7.593785
  C      -3.412602     -7.388221      6.769385
  C      -1.415489     -5.776739      6.892578
  C      -1.780923     -4.541460      5.990307
  C      -0.453998     -3.873500      5.563546
  C      -2.525735     -3.539576      6.866824
  H      -0.645221      1.026314      0.710995
  H      -1.763775     -0.183748     -0.156914
  H      -1.087773     -0.220104      3.958471
  H       0.098497      0.634292      2.937775
  H       0.285126     -1.103665      3.299587
  H      -1.576211     -2.647677      2.629148
  H      -1.981611     -2.448140      0.914558
  H      -4.004481     -0.021227      1.238068
  H      -5.415658     -1.076121      1.537493
  H      -4.251112     -1.467991      0.242915
  H      -4.746991     -1.149349      3.951448
  H      -3.106193     -1.630245      4.424287
  H      -3.360418     -0.101581      3.529141
  H      -6.867169     -7.309151      6.084232
  H      -6.859373     -6.280797      7.634593
  H      -9.467254     -4.167949      6.717048
  H      -8.010160     -3.307992      6.226421
  H      -8.014833     -4.227920      7.751155
  H      -8.371092     -6.701918      4.315634
  H      -9.359178     -5.243170      4.414365
  H      -8.040858     -6.476720      1.938363
  H      -7.462663     -4.933964      1.252166
  H      -9.083597     -5.044128      1.988940
  H      -8.610083     -3.125294      3.378402
  H      -7.152320     -3.008199      4.402160
  H      -6.986109     -2.987142      2.643708
  H      -3.599980     -6.799467      9.416904
  H      -2.148762     -5.632971      9.504798
  H      -3.861683     -6.827540      5.935744
  H      -2.803459     -8.189365      6.317238
  H      -4.211251     -7.846732      7.366933
  H      -0.706687     -5.405387      7.648198
  H      -0.860724     -6.511603      6.286014
  H       0.225883     -4.570014      5.053809
  H       0.070162     -3.485463      6.448234
  H      -0.660796     -3.031548      4.886294
  H      -3.482390     -3.939025      7.218279
  H      -1.902124     -3.309853      7.743154
  H      -2.719965     -2.606565      6.323772
  N      -5.030755     -3.415016      5.406666
  H      -5.508436     -2.780778      6.046917
85
Coordinates from ORCA-job orca E -5421.400867927871
  N      -4.051281     -3.257861      2.406545
  C      -4.107684     -3.991776      1.137889
  C      -3.242130     -5.241394      1.232149
  N      -3.665962     -6.010334      2.418379
  C      -4.818078     -6.893440      2.135396
  C      -5.773351     -6.786248      3.315683
  N      -6.036090     -5.374600      3.536438
  Mo     -4.350460     -4.335625      4.064553
  N      -2.543321     -4.944414      4.766389
  C      -1.720606     -5.759420      3.863457
  C      -2.567815     -6.732389      3.074601
  H      -0.971201     -6.349046      4.415455
  H      -1.144740     -5.116362      3.168715
  H      -3.018126     -7.460856      3.763602
  H      -1.953459     -7.289302      2.340830
  H      -6.688185     -7.363939      3.109517
  H      -5.316334     -7.258784      4.206950
  H      -5.328555     -6.524007      1.236073
  H      -4.475378     -7.925954      1.939871
  H      -3.762772     -3.387386      0.285323
  H      -5.151911     -4.282453      0.920135
  H      -2.195062     -4.937144      1.366679
  H      -3.306335     -5.860015      0.317533
  C      -1.216607      0.097672      0.747576
  C      -1.238528     -0.669658      1.847078
  C      -0.445308     -0.309791      3.073257
  C      -2.030342     -1.959788      1.900381
  C      -3.545754     -1.867727      2.298560
  C      -4.351146     -1.062805      1.255050
  C      -3.696375     -1.140631      3.637530
  C      -7.179412     -6.383199      6.604935
  C      -7.916501     -5.453923      5.980603
  C      -8.393612     -4.226517      6.706043
  C      -8.332046     -5.630756      4.543433
  C      -7.442356     -4.956720      3.436989
  C      -8.036355     -5.384905      2.072606
  C      -7.555683     -3.428927      3.484562
  C      -2.767808     -6.295714      8.906097
  C      -2.551383     -6.472417      7.593745
  C      -3.417284     -7.382947      6.771638
  C      -1.413250     -5.779863      6.889084
  C      -1.776832     -4.544467      5.987532
  C      -0.449760     -3.877089      5.560997
  C      -2.520390     -3.541613      6.864389
  H      -0.647085      1.029074      0.714150
  H      -1.764172     -0.181149     -0.154997
  H      -1.088147     -0.230183      3.962664
  H       0.091160      0.639785      2.945136
  H       0.291624     -1.098705      3.296256
  H      -1.573143     -2.646020      2.630425
  H      -1.979622     -2.448867      0.916412
  H      -4.000188     -0.023194      1.233899
  H      -5.414250     -1.073171      1.534791
  H      -4.251333     -1.471103      0.241336
  H      -4.747911     -1.149079      3.949273
  H      -3.107283     -1.625741      4.425515
  H      -3.362301     -0.100227      3.527711
  H      -6.854781     -7.291606      6.095132
  H      -6.865282     -6.258650      7.642831
  H      -9.495351     -4.180826      6.707425
  H      -8.048041     -3.304217      6.218754
  H      -8.046681     -4.217060      7.746814
  H      -8.362124     -6.707739      4.319686
  H      -9.360079     -5.254206      4.406290
  H      -8.035791     -6.475213      1.935628
  H      -7.458012     -4.930520      1.254864
  H      -9.079471     -5.043583      1.988845
  H      -8.609253     -3.129384      3.387244
  H      -7.151460     -3.015157      4.411623
  H      -6.985560     -2.986904      2.653369
  H      -3.588543     -6.799831      9.421017
  H      -2.131994     -5.639846      9.504731
  H      -3.864857     -6.821981      5.937567
  H      -2.814029     -8.189325      6.320720
  H      -4.217517     -7.835227      7.371653
  H      -0.701418     -5.410751      7.642833
  H      -0.862832     -6.517068      6.281536
  H       0.229408     -4.572839      5.049540
  H       0.075130     -3.490687      6.446048
  H      -0.656080     -3.033703      4.885721
  H      -3.478688     -3.939408      7.214501
  H      -1.897338     -3.313172      7.741906
  H      -2.711978     -2.608187      6.320797
  N      -5.026797     -3.416058      5.408339
  H      -5.509060     -2.785848      6.049123
85
Coordinates from ORCA-job orca E -5421.400880460460
  N      -4.050716     -3.257278      2.405867
  C      -4.106731     -3.991322      1.137338
  C      -3.241828     -5.241264      1.232579
  N      -3.666516     -6.009442      2.419012
  C      -4.818261     -6.892815      2.135689
  C      -5.774256     -6.785223      3.315153
  N      -6.037243     -5.373433      3.534708
  Mo     -4.352562     -4.334151      4.064217
  N      -2.546761     -4.942963      4.768304
  C      -1.722795     -5.757022      3.865656
  C      -2.568600     -6.730869      3.076370
  H      -0.972505     -6.345320      4.417857
  H      -1.147712     -5.113409      3.170717
  H      -3.019227     -7.459267      3.765299
  H      -1.953426     -7.287667      2.343149
  H      -6.688909     -7.363051      3.108521
  H      -5.317949     -7.257148      4.207083
  H      -5.328115     -6.524129      1.235701
  H      -4.475074     -7.925375      1.941106
  H      -3.760970     -3.387320      0.284869
  H      -5.150814     -4.281997      0.918795
  H      -2.194679     -4.937561      1.367470
  H      -3.306110     -5.860325      0.318249
  C      -1.214150      0.095156      0.743135
  C      -1.237282     -0.669910      1.844401
  C      -0.444138     -0.307741      3.070105
  C      -2.029255     -1.959684      1.899892
  C      -3.544787     -1.867642      2.297706
  C      -4.349428     -1.062665      1.253930
  C      -3.695337     -1.139938      3.636181
  C      -7.178523     -6.390106      6.603390
  C      -7.911257     -5.455781      5.981011
  C      -8.378133     -4.225065      6.707932
  C      -8.331400     -5.629850      4.544732
  C      -7.443748     -4.956459      3.436475
  C      -8.039040     -5.386264      2.073278
  C      -7.557926     -3.428895      3.482558
  C      -2.768080     -6.301092      8.905913
  C      -2.551770     -6.475262      7.593125
  C      -3.416194     -7.386241      6.769819
  C      -1.415150     -5.779503      6.889170
  C      -1.781481     -4.543288      5.990218
  C      -0.456145     -3.871559      5.564976
  C      -2.527832     -3.543943      6.869096
  H      -0.643636      1.025882      0.707587
  H      -1.761077     -0.185756     -0.159259
  H      -1.087408     -0.225140      3.959037
  H       0.094004      0.640629      2.940027
  H       0.291682     -1.097086      3.295536
  H      -1.571294     -2.644909      2.630586
  H      -1.978394     -2.450330      0.916574
  H      -3.997886     -0.023415      1.232049
  H      -5.412561     -1.071398      1.532932
  H      -4.250348     -1.471002      0.240231
  H      -4.746909     -1.148563      3.947875
  H      -3.106268     -1.623818      4.425040
  H      -3.361754     -0.099433      3.526585
  H      -6.861810     -7.300731      6.092309
  H      -6.860533     -6.268126      7.640459
  H      -9.479490     -4.170415      6.709687
  H      -8.025332     -3.304941      6.222231
  H      -8.030482     -4.219838      7.748344
  H      -8.364794     -6.706533      4.319884
  H      -9.358838     -5.250150      4.410694
  H      -8.036509     -6.476563      1.936694
  H      -7.462782     -4.931167      1.254556
  H      -9.082893     -5.046983      1.991003
  H      -8.611949     -3.130510      3.385901
  H      -7.153347     -3.014086      4.409008
  H      -6.988761     -2.986909      2.650686
  H      -3.587736     -6.807705      9.420211
  H      -2.133342     -5.644886      9.505356
  H      -3.865013     -6.825640      5.936203
  H      -2.811657     -8.191525      6.318571
  H      -4.215767     -7.840255      7.369571
  H      -0.703527     -5.410720      7.643365
  H      -0.863879     -6.514764      6.279897
  H       0.224368     -4.563732      5.050248
  H       0.068585     -3.486941      6.451009
  H      -0.665159     -3.026154      4.892984
  H      -3.486214     -3.943819      7.216500
  H      -1.906743     -3.317200      7.748374
  H      -2.719776     -2.609210      6.327953
  N      -5.030119     -3.414181      5.407114
  H      -5.508541     -2.780006      6.046994
85
Coordinates from ORCA-job orca E -5421.400902417861
  N      -4.049378     -3.256105      2.403747
  C      -4.104671     -3.990440      1.135299
  C      -3.240917     -5.240901      1.232489
  N      -3.667609     -6.007176      2.419591
  C      -4.819228     -6.890376      2.135181
  C      -5.776103     -6.782721      3.313435
  N      -6.039008     -5.370644      3.532846
  Mo     -4.354724     -4.331863      4.062556
  N      -2.550269     -4.939331      4.769341
  C      -1.725588     -5.753662      3.867494
  C      -2.570506     -6.728555      3.078494
  H      -0.974479     -6.340426      4.420051
  H      -1.151180     -5.110300      3.171652
  H      -3.022106     -7.456031      3.767772
  H      -1.955169     -7.286117      2.346051
  H      -6.690726     -7.360048      3.105313
  H      -5.321312     -7.254882      4.205905
  H      -5.327953     -6.521836      1.234503
  H      -4.475755     -7.922991      1.941213
  H      -3.757510     -3.387015      0.283043
  H      -5.148576     -4.280882      0.915706
  H      -2.193588     -4.938270      1.368040
  H      -3.305309     -5.861149      0.318990
  C      -1.206097      0.087871      0.735132
  C      -1.233809     -0.671617      1.840249
  C      -0.443964     -0.304082      3.066673
  C      -2.026521     -1.960469      1.898957
  C      -3.542351     -1.867546      2.295283
  C      -4.344505     -1.062272      1.250412
  C      -3.693364     -1.138782      3.632815
  C      -7.177990     -6.412331      6.596989
  C      -7.904263     -5.467916      5.982027
  C      -8.357325     -4.237282      6.717887
  C      -8.331113     -5.631273      4.546501
  C      -7.446054     -4.954860      3.438310
  C      -8.042774     -5.381976      2.075013
  C      -7.561919     -3.427905      3.488117
  C      -2.779005     -6.296036      8.904429
  C      -2.558098     -6.472820      7.592837
  C      -3.418122     -7.387990      6.769388
  C      -1.420708     -5.776469      6.890606
  C      -1.786278     -4.539902      5.992191
  C      -0.461024     -3.866875      5.568270
  C      -2.533783     -3.540995      6.870814
  H      -0.634171      1.017459      0.696246
  H      -1.750149     -0.197858     -0.167583
  H      -1.089452     -0.217066      3.953475
  H       0.095839      0.642697      2.933949
  H       0.290745     -1.092773      3.297792
  H      -1.568567     -2.644330      2.631115
  H      -1.975296     -2.453536      0.916753
  H      -3.990860     -0.023656      1.227086
  H      -5.408058     -1.067493      1.527994
  H      -4.246176     -1.471448      0.236838
  H      -4.745229     -1.147461      3.943816
  H      -3.104998     -1.621151      4.423108
  H      -3.360096     -0.098188      3.523620
  H      -6.872384     -7.323156      6.079500
  H      -6.855142     -6.299616      7.633600
  H      -9.457884     -4.168181      6.716576
  H      -7.990571     -3.317394      6.242907
  H      -8.012736     -4.246485      7.759063
  H      -8.370852     -6.706311      4.315531
  H      -9.357249     -5.245757      4.418791
  H      -8.034141     -6.471430      1.933752
  H      -7.471095     -4.920349      1.257029
  H      -9.088651     -5.048503      1.996802
  H      -8.616616     -3.131481      3.390962
  H      -7.159500     -3.014759      4.416389
  H      -6.992640     -2.982243      2.658358
  H      -3.599424     -6.803020      9.417099
  H      -2.147382     -5.637201      9.504234
  H      -3.868447     -6.831260      5.933929
  H      -2.810395     -8.192696      6.321509
  H      -4.217289     -7.843154      7.368868
  H      -0.709604     -5.408417      7.645551
  H      -0.869463     -6.511481      6.281215
  H       0.220041     -4.557058      5.051845
  H       0.063484     -3.483516      6.455053
  H      -0.670878     -3.020176      4.898313
  H      -3.494077     -3.939934      7.214544
  H      -1.915356     -3.316599      7.752825
  H      -2.722152     -2.604812      6.330697
  N      -5.031676     -3.411318      5.405273
  H      -5.497421     -2.767756      6.045320
85
Coordinates from ORCA-job orca E -5421.400915581050
  N      -4.048054     -3.255686      2.401271
  C      -4.101874     -3.990512      1.132890
  C      -3.239047     -5.241415      1.232102
  N      -3.668038     -6.005829      2.419683
  C      -4.820287     -6.887964      2.134218
  C      -5.777218     -6.780673      3.312159
  N      -6.039400     -5.368502      3.533228
  Mo     -4.354366     -4.330557      4.061020
  N      -2.550038     -4.936631      4.768177
  C      -1.726344     -5.753982      3.868201
  C      -2.572376     -6.728545      3.079963
  H      -0.976282     -6.340847      4.422155
  H      -1.150477     -5.112709      3.171569
  H      -3.025721     -7.454405      3.769853
  H      -1.957739     -7.287971      2.348314
  H      -6.692273     -7.356913      3.102849
  H      -5.323386     -7.254205      4.204330
  H      -5.328429     -6.518288      1.233674
  H      -4.477500     -7.920682      1.939504
  H      -3.753239     -3.387758      0.280826
  H      -5.145589     -4.280604      0.911916
  H      -2.191554     -4.939776      1.368494
  H      -3.303302     -5.862745      0.319312
  C      -1.200398      0.083971      0.731341
  C      -1.231911     -0.671822      1.838643
  C      -0.445090     -0.301130      3.065964
  C      -2.024879     -1.960320      1.898283
  C      -3.541224     -1.867290      2.292518
  C      -4.341545     -1.062553      1.245990
  C      -3.694756     -1.137622      3.629157
  C      -7.178445     -6.430024      6.591093
  C      -7.903092     -5.480469      5.982363
  C      -8.353068     -4.253854      6.726559
  C      -8.331419     -5.634763      4.546365
  C      -7.446827     -4.952878      3.441316
  C      -8.042883     -5.373838      2.075859
  C      -7.564154     -3.426435      3.499123
  C      -2.788864     -6.283961      8.903610
  C      -2.564920     -6.466514      7.593309
  C      -3.423773     -7.384972      6.772245
  C      -1.424749     -5.774622      6.890861
  C      -1.785887     -4.537767      5.991269
  C      -0.458430     -3.868924      5.567286
  C      -2.530800     -3.535281      6.868146
  H      -0.627922      1.013110      0.691163
  H      -1.741994     -0.204821     -0.171820
  H      -1.092217     -0.213848      3.951470
  H       0.094088      0.646065      2.932730
  H       0.290406     -1.088392      3.299443
  H      -1.567647     -2.643374      2.631624
  H      -1.972813     -2.454672      0.916830
  H      -3.987239     -0.024434      1.222303
  H      -5.405378     -1.066628      1.521738
  H      -4.242320     -1.472182      0.232883
  H      -4.747119     -1.147327      3.938481
  H      -3.106993     -1.618518      4.420780
  H      -3.362597     -0.096674      3.519921
  H      -6.875233     -7.338101      6.067562
  H      -6.855007     -6.324797      7.628165
  H      -9.453166     -4.177799      6.719105
  H      -7.977011     -3.331755      6.263437
  H      -8.014849     -4.275506      7.769590
  H      -8.373493     -6.708292      4.309360
  H      -9.357026     -5.246880      4.421924
  H      -8.028548     -6.462161      1.927332
  H      -7.474081     -4.903976      1.260690
  H      -9.090540     -5.045440      2.000539
  H      -8.619194     -3.131311      3.401223
  H      -7.164745     -3.017694      4.430619
  H      -6.993993     -2.975071      2.673015
  H      -3.611223     -6.787839      9.416376
  H      -2.157820     -5.623427      9.502115
  H      -3.874194     -6.832910      5.933781
  H      -2.815393     -8.191793      6.329078
  H      -4.223536     -7.837661      7.372860
  H      -0.712566     -5.408321      7.645659
  H      -0.875974     -6.512248      6.282277
  H       0.221073     -4.561013      5.051272
  H       0.066816     -3.486444      6.454042
  H      -0.665866     -3.021851      4.896934
  H      -3.493802     -3.929577      7.209595
  H      -1.913656     -3.313608      7.751755
  H      -2.713009     -2.598146      6.327315
  N      -5.028697     -3.409377      5.404652
  H      -5.482580     -2.759155      6.046535
85
Coordinates from ORCA-job orca E -5421.400923606941
  N      -4.047871     -3.255879      2.400080
  C      -4.101188     -3.990862      1.131720
  C      -3.238619     -5.241951      1.231423
  N      -3.668148     -6.005683      2.419243
  C      -4.820901     -6.887229      2.133721
  C      -5.777164     -6.780365      3.312265
  N      -6.039007     -5.368256      3.534764
  Mo     -4.353362     -4.330243      4.060484
  N      -2.548641     -4.936025      4.766692
  C      -1.725920     -5.754954      3.867172
  C      -2.572944     -6.729164      3.079543
  H      -0.976520     -6.342276      4.421472
  H      -1.149260     -5.114682      3.170286
  H      -3.026687     -7.454517      3.769601
  H      -1.958930     -7.289263      2.347948
  H      -6.692562     -7.356094      3.103052
  H      -5.323052     -7.254776      4.203802
  H      -5.329419     -6.516476      1.233831
  H      -4.478801     -7.919953      1.937847
  H      -3.752061     -3.388426      0.279634
  H      -5.144892     -4.280584      0.910208
  H      -2.191013     -4.940688      1.367802
  H      -3.303106     -5.863597      0.318874
  C      -1.198538      0.083157      0.731623
  C      -1.231790     -0.671750      1.839405
  C      -0.447727     -0.300033      3.068113
  C      -2.024555     -1.960485      1.898496
  C      -3.541194     -1.867131      2.291387
  C      -4.340617     -1.062556      1.243912
  C      -3.696362     -1.137286      3.627831
  C      -7.180363     -6.436151      6.589882
  C      -7.904618     -5.485422      5.982600
  C      -8.355341     -4.260722      6.729212
  C      -8.331768     -5.636844      4.545952
  C      -7.446522     -4.952310      3.443121
  C      -8.041341     -5.370089      2.076211
  C      -7.564214     -3.426069      3.504879
  C      -2.793176     -6.277311      8.903210
  C      -2.568297     -6.462581      7.593583
  C      -3.427160     -7.382259      6.773930
  C      -1.426161     -5.773606      6.891252
  C      -1.783835     -4.537270      5.989643
  C      -0.454586     -3.872351      5.565080
  C      -2.526348     -3.531410      6.864465
  H      -0.626643      1.012682      0.692088
  H      -1.738545     -0.206429     -0.172219
  H      -1.096183     -0.215557      3.952814
  H       0.088614      0.648868      2.936290
  H       0.289834     -1.085243      3.301779
  H      -1.568226     -2.643191      2.632677
  H      -1.971672     -2.455340      0.917411
  H      -3.984703     -0.024899      1.219346
  H      -5.404566     -1.065310      1.519856
  H      -4.241722     -1.473577      0.231301
  H      -4.749057     -1.147134      3.936127
  H      -3.109151     -1.618081      4.419692
  H      -3.364273     -0.096294      3.518380
  H      -6.876106     -7.342743      6.064613
  H      -6.858515     -6.333319      7.627640
  H      -9.455183     -4.181452      6.716256
  H      -7.973739     -3.337897      6.271914
  H      -8.022579     -4.287603      7.773938
  H      -8.373278     -6.709915      4.306895
  H      -9.357475     -5.249353      4.421744
  H      -8.025036     -6.457827      1.924239
  H      -7.472873     -4.896716      1.262918
  H      -9.089539     -5.043350      2.001187
  H      -8.619425     -3.131296      3.407273
  H      -7.165320     -3.019541      4.437531
  H      -6.994073     -2.972347      2.679962
  H      -3.616720     -6.779091      9.416045
  H      -2.161854     -5.616521      9.501162
  H      -3.877432     -6.832455      5.933861
  H      -2.818794     -8.190289      6.333019
  H      -4.227213     -7.833475      7.375149
  H      -0.714101     -5.407542      7.646208
  H      -0.878080     -6.513381      6.284752
  H       0.223430     -4.567004      5.050824
  H       0.071229     -3.489501      6.451266
  H      -0.659352     -3.026023      4.893076
  H      -3.490910     -3.922502      7.205562
  H      -1.909166     -3.310405      7.748356
  H      -2.704979     -2.594384      6.321914
  N      -5.025721     -3.408807      5.404958
  H      -5.473023     -2.755451      6.048301
85
Coordinates from ORCA-job orca E -5421.400933060148
  N      -4.048173     -3.256409      2.399145
  C      -4.100948     -3.991615      1.130968
  C      -3.238170     -5.242686      1.230635
  N      -3.667490     -6.006135      2.418577
  C      -4.820778     -6.887214      2.133752
  C      -5.775678     -6.780837      3.313680
  N      -6.037579     -5.368985      3.537614
  Mo     -4.351668     -4.329762      4.060552
  N      -2.546300     -4.936041      4.765247
  C      -1.724555     -5.756392      3.866108
  C      -2.572495     -6.730071      3.078795
  H      -0.976195     -6.344617      4.420930
  H      -1.146711     -5.117001      3.169443
  H      -3.026293     -7.455382      3.768791
  H      -1.958693     -7.290477      2.347221
  H      -6.691360     -7.356532      3.105653
  H      -5.320237     -7.255771      4.204273
  H      -5.330486     -6.515259      1.235014
  H      -4.479559     -7.919919      1.936252
  H      -3.751780     -3.389386      0.278713
  H      -5.144644     -4.281157      0.909007
  H      -2.190484     -4.941392      1.366592
  H      -3.302974     -5.864334      0.318086
  C      -1.200432      0.085793      0.734334
  C      -1.233351     -0.670517      1.840890
  C      -0.449552     -0.300387      3.069980
  C      -2.025754     -1.959776      1.898283
  C      -3.542554     -1.866538      2.290444
  C      -4.342444     -1.062844      1.242210
  C      -3.699609     -1.136627      3.626891
  C      -7.183562     -6.435095      6.591960
  C      -7.908453     -5.486162      5.982715
  C      -8.363064     -4.262069      6.727739
  C      -8.331809     -5.638830      4.544979
  C      -7.445101     -4.952545      3.444370
  C      -8.037700     -5.368302      2.075906
  C      -7.563015     -3.426294      3.508595
  C      -2.792888     -6.275095      8.903432
  C      -2.570120     -6.460578      7.593536
  C      -3.431472     -7.378996      6.775200
  C      -1.426238     -5.774554      6.890790
  C      -1.780654     -4.538062      5.988195
  C      -0.449525     -3.877116      5.563321
  C      -2.520602     -3.529558      6.862074
  H      -0.629443      1.016085      0.696715
  H      -1.740437     -0.202466     -0.169802
  H      -1.097647     -0.221989      3.955543
  H       0.082390      0.651743      2.940888
  H       0.291485     -1.083533      3.299763
  H      -1.570111     -2.642561      2.632645
  H      -1.972271     -2.454289      0.917262
  H      -3.985533     -0.025753      1.216520
  H      -5.406000     -1.065234      1.519308
  H      -4.244354     -1.475518      0.230382
  H      -4.752426     -1.147275      3.934551
  H      -3.111985     -1.617065      4.418661
  H      -3.368435     -0.095323      3.516517
  H      -6.875022     -7.340819      6.067874
  H      -6.865399     -6.331100      7.630711
  H      -9.462551     -4.180481      6.706793
  H      -7.975782     -3.339586      6.274184
  H      -8.037963     -4.290751      7.774933
  H      -8.369866     -6.712169      4.306268
  H      -9.358294     -5.254296      4.418650
  H      -8.020878     -6.455784      1.921936
  H      -7.468049     -4.893182      1.264367
  H      -9.085962     -5.041751      1.999508
  H      -8.618346     -3.131643      3.412731
  H      -7.162646     -3.021095      4.441070
  H      -6.994217     -2.971545      2.683255
  H      -3.617136     -6.774929      9.417058
  H      -2.159346     -5.616079      9.501040
  H      -3.881188     -6.830094      5.934277
  H      -2.824740     -8.188714      6.335043
  H      -4.231912     -7.828187      7.377352
  H      -0.713916     -5.409287      7.645947
  H      -0.878903     -6.516370      6.285903
  H       0.226877     -4.574596      5.050701
  H       0.076992     -3.494399      6.449083
  H      -0.651174     -3.031199      4.889755
  H      -3.486564     -3.917670      7.202740
  H      -1.902992     -3.310214      7.746060
  H      -2.695950     -2.592259      6.318647
  N      -5.022102     -3.407640      5.405584
  H      -5.463758     -2.751571      6.050036
85
Coordinates from ORCA-job orca E -5421.400937912956
  N      -4.049137     -3.256827      2.399292
  C      -4.102102     -3.991963      1.131254
  C      -3.238877     -5.242875      1.230206
  N      -3.667102     -6.006849      2.418014
  C      -4.820384     -6.888103      2.134151
  C      -5.774352     -6.781872      3.315021
  N      -6.036640     -5.370205      3.538986
  Mo     -4.351350     -4.329587      4.061008
  N      -2.545787     -4.936652      4.765054
  C      -1.723991     -5.756437      3.865426
  C      -2.571668     -6.730179      3.077887
  H      -0.975685     -6.344935      4.420012
  H      -1.146229     -5.116609      3.169154
  H      -3.024802     -7.456122      3.767599
  H      -1.957477     -7.289977      2.346158
  H      -6.689974     -7.358080      3.108219
  H      -5.317740     -7.256368      4.205259
  H      -5.331073     -6.515993      1.236028
  H      -4.479307     -7.920746      1.936083
  H      -3.753270     -3.389568      0.278950
  H      -5.145811     -4.281561      0.909365
  H      -2.191253     -4.941077      1.365618
  H      -3.303820     -5.864100      0.317385
  C      -1.203333      0.088334      0.736852
  C      -1.234794     -0.670020      1.842169
  C      -0.450476     -0.301517      3.071439
  C      -2.026844     -1.959732      1.898508
  C      -3.543634     -1.866418      2.290775
  C      -4.344100     -1.062701      1.242771
  C      -3.700355     -1.136673      3.627491
  C      -7.185353     -6.430294      6.595400
  C      -7.909412     -5.482631      5.982998
  C      -8.363891     -4.256080      6.724254
  C      -8.331204     -5.638647      4.544996
  C      -7.444050     -4.953665      3.443939
  C      -8.035948     -5.371280      2.075790
  C      -7.561830     -3.427216      3.505916
  C      -2.790634     -6.278760      8.903271
  C      -2.569634     -6.461962      7.592806
  C      -3.432258     -7.378666      6.773943
  C      -1.425735     -5.775434      6.890452
  C      -1.780050     -4.538841      5.988005
  C      -0.448840     -3.877937      5.563308
  C      -2.520098     -3.530550      6.862058
  H      -0.633090      1.019225      0.700608
  H      -1.743764     -0.198414     -0.167531
  H      -1.097933     -0.227207      3.957852
  H       0.078535      0.652485      2.944445
  H       0.292687     -1.083521      3.298198
  H      -1.571371     -2.642733      2.632764
  H      -1.973069     -2.453778      0.917252
  H      -3.986236     -0.025847      1.216238
  H      -5.407415     -1.064419      1.521311
  H      -4.247251     -1.476384      0.231200
  H      -4.753086     -1.146852      3.935486
  H      -3.112655     -1.617581      4.418808
  H      -3.368790     -0.095543      3.516676
  H      -6.875959     -7.337439      6.074145
  H      -6.868564     -6.323430      7.634372
  H      -9.462988     -4.171611      6.699729
  H      -7.972856     -3.335658      6.269555
  H      -8.042039     -4.282997      7.772555
  H      -8.367289     -6.712639      4.308437
  H      -9.358175     -5.255871      4.417030
  H      -8.021020     -6.459136      1.924064
  H      -7.464722     -4.898765      1.263795
  H      -9.083556     -5.042925      1.997617
  H      -8.617270     -3.132408      3.412210
  H      -7.158748     -3.020757      4.436586
  H      -6.994921     -2.974101      2.678310
  H      -3.614623     -6.778981      9.416897
  H      -2.156084     -5.621239      9.501505
  H      -3.881929     -6.828640      5.933714
  H      -2.826226     -8.188195      6.332434
  H      -4.232550     -7.828160      7.376015
  H      -0.713978     -5.410097      7.646136
  H      -0.877552     -6.517050      6.286047
  H       0.227614     -4.575828      5.051295
  H       0.077548     -3.495007      6.449018
  H      -0.649958     -3.032243      4.889269
  H      -3.485776     -3.919069      7.203092
  H      -1.902028     -3.311096      7.745655
  H      -2.696082     -2.593333      6.318612
  N      -5.021597     -3.407285      5.406034
  H      -5.461628     -2.750208      6.050650
85
Coordinates from ORCA-job orca E -5421.400942261126
  N      -4.050320     -3.257238      2.399822
  C      -4.103423     -3.992208      1.131912
  C      -3.239484     -5.242756      1.229987
  N      -3.666350     -6.007663      2.417451
  C      -4.819466     -6.889241      2.134681
  C      -5.772518     -6.783151      3.316413
  N      -6.035331     -5.371677      3.540135
  Mo     -4.351152     -4.329520      4.061637
  N      -2.545400     -4.937220      4.765226
  C      -1.723289     -5.755961      3.864983
  C      -2.570338     -6.729945      3.077065
  H      -0.974856     -6.344637      4.419226
  H      -1.145873     -5.115432      3.169116
  H      -3.022689     -7.456598      3.766566
  H      -1.955503     -7.289009      2.345252
  H      -6.687931     -7.360107      3.110849
  H      -5.314739     -7.256900      4.206452
  H      -5.331120     -6.517339      1.237018
  H      -4.478249     -7.921809      1.936380
  H      -3.755084     -3.389353      0.279701
  H      -5.147067     -4.282200      0.910185
  H      -2.192048     -4.940051      1.365010
  H      -3.304184     -5.863361      0.316716
  C      -1.207997      0.092146      0.740008
  C      -1.236733     -0.669172      1.843422
  C      -0.449739     -0.303472      3.071850
  C      -2.028506     -1.959253      1.898617
  C      -3.545275     -1.866419      2.291360
  C      -4.346849     -1.063059      1.243719
  C      -3.701296     -1.136564      3.628210
  C      -7.186894     -6.424131      6.599729
  C      -7.909606     -5.477881      5.983386
  C      -8.363205     -4.247964      6.719871
  C      -8.329952     -5.638163      4.545312
  C      -7.442634     -4.955222      3.443129
  C      -8.034309     -5.375651      2.075741
  C      -7.560279     -3.428553      3.501720
  C      -2.788974     -6.283360      8.902626
  C      -2.569348     -6.464205      7.591564
  C      -3.433411     -7.378624      6.771690
  C      -1.425396     -5.777136      6.889796
  C      -1.779822     -4.539915      5.988306
  C      -0.448648     -3.878503      5.564238
  C      -2.520175     -3.532540      6.863366
  H      -0.638157      1.023418      0.704988
  H      -1.749925     -0.192337     -0.164191
  H      -1.095261     -0.232965      3.960131
  H       0.077445      0.651959      2.946744
  H       0.295027     -1.085381      3.294039
  H      -1.572794     -2.642822      2.632186
  H      -1.974624     -2.452201      0.916767
  H      -3.989677     -0.026058      1.217006
  H      -5.409863     -1.065421      1.523029
  H      -4.250389     -1.476793      0.232201
  H      -4.753829     -1.146510      3.936757
  H      -3.113247     -1.617527      4.419383
  H      -3.369707     -0.095524      3.516829
  H      -6.877333     -7.333429      6.082112
  H      -6.871164     -6.313619      7.638761
  H      -9.461816     -4.159968      6.691745
  H      -7.968074     -3.330217      6.263335
  H      -8.044601     -4.272378      7.769204
  H      -8.364247     -6.712886      4.311496
  H      -9.357353     -5.257007      4.415481
  H      -8.022272     -6.464116      1.927615
  H      -7.461236     -4.907238      1.262586
  H      -9.080949     -5.044580      1.995669
  H      -8.615763     -3.133490      3.410578
  H      -7.154002     -3.020275      4.430157
  H      -6.995628     -2.977623      2.671460
  H      -3.612903     -6.783924      9.416034
  H      -2.153480     -5.627470      9.501670
  H      -3.882883     -6.826711      5.932581
  H      -2.828313     -8.187872      6.328292
  H      -4.233743     -7.828483      7.373463
  H      -0.713873     -5.412421      7.646085
  H      -0.876789     -6.518026      6.284806
  H       0.228236     -4.576280      5.052435
  H       0.077299     -3.495650      6.450282
  H      -0.649702     -3.032745      4.890164
  H      -3.485109     -3.921974      7.205294
  H      -1.901310     -3.312917      7.746299
  H      -2.697685     -2.595340      6.320594
  N      -5.021488     -3.407153      5.406580
  H      -5.460059     -2.749138      6.051266
85
Coordinates from ORCA-job orca E -5421.400944559542
  N      -4.051122     -3.257466      2.400229
  C      -4.104324     -3.992291      1.132284
  C      -3.239898     -5.242550      1.229879
  N      -3.665876     -6.008170      2.417045
  C      -4.818848     -6.889947      2.134917
  C      -5.771400     -6.783963      3.317042
  N      -6.034418     -5.372561      3.540657
  Mo     -4.351056     -4.329687      4.061965
  N      -2.545069     -4.937316      4.765110
  C      -1.722813     -5.755478      3.864529
  C      -2.569479     -6.729713      3.076510
  H      -0.974158     -6.344117      4.418521
  H      -1.145781     -5.114579      3.168706
  H      -3.021380     -7.456611      3.766087
  H      -1.954330     -7.288480      2.344695
  H      -6.686697     -7.361278      3.112014
  H      -5.313142     -7.257281      4.207043
  H      -5.330947     -6.518376      1.237376
  H      -4.477400     -7.922468      1.936701
  H      -3.756254     -3.389086      0.280227
  H      -5.147905     -4.282595      0.910730
  H      -2.192639     -4.939191      1.364815
  H      -3.304242     -5.862730      0.316289
  C      -1.210794      0.094415      0.742165
  C      -1.237776     -0.668889      1.844383
  C      -0.449289     -0.304967      3.072503
  C      -2.029317     -1.959190      1.898755
  C      -3.546125     -1.866747      2.291743
  C      -4.348122     -1.063335      1.244412
  C      -3.701341     -1.136705      3.628603
  C      -7.187347     -6.421464      6.602182
  C      -7.909064     -5.475729      5.983796
  C      -8.361741     -4.243900      6.717852
  C      -8.328841     -5.638140      4.545790
  C      -7.441698     -4.956266      3.442835
  C      -8.033593     -5.378411      2.076054
  C      -7.559421     -3.429531      3.499537
  C      -2.790034     -6.284319      8.901578
  C      -2.570039     -6.464849      7.590483
  C      -3.434743     -7.378058      6.769907
  C      -1.425633     -5.778058      6.889219
  C      -1.779664     -4.540334      5.988207
  C      -0.448330     -3.878882      5.564563
  C      -2.520019     -3.533168      6.863619
  H      -0.641225      1.025849      0.707829
  H      -1.753563     -0.188702     -0.162006
  H      -1.093594     -0.236631      3.961905
  H       0.077098      0.650976      2.948658
  H       0.296303     -1.086921      3.292029
  H      -1.573499     -2.643294      2.631804
  H      -1.975298     -2.451227      0.916352
  H      -3.991851     -0.025946      1.218138
  H      -5.411186     -1.066423      1.523658
  H      -4.251254     -1.476524      0.232669
  H      -4.753825     -1.145994      3.937374
  H      -3.113606     -1.617996      4.419804
  H      -3.369115     -0.095940      3.517154
  H      -6.878216     -7.332067      6.086424
  H      -6.871907     -6.309169      7.641177
  H      -9.460055     -4.153622      6.687590
  H      -7.964077     -3.327571      6.260757
  H      -8.045091     -4.267368      7.767764
  H      -8.362535     -6.713174      4.313283
  H      -9.356368     -5.257490      4.415055
  H      -8.023673     -6.467291      1.930396
  H      -7.459445     -4.912881      1.261955
  H      -9.079534     -5.045355      1.995110
  H      -8.614996     -3.134406      3.410050
  H      -7.151452     -3.020279      4.426802
  H      -6.996160     -2.979532      2.667846
  H      -3.614449     -6.784545      9.414572
  H      -2.154322     -5.629059      9.501046
  H      -3.883948     -6.824853      5.931460
  H      -2.830247     -8.187224      6.325535
  H      -4.235322     -7.827910      7.371382
  H      -0.713976     -5.414130      7.645784
  H      -0.877383     -6.518576      6.283455
  H       0.228914     -4.576625      5.053076
  H       0.077113     -3.495918      6.450886
  H      -0.649396     -3.033226      4.890315
  H      -3.484284     -3.923068      7.206687
  H      -1.900499     -3.312870      7.745855
  H      -2.698745     -2.596178      6.321009
  N      -5.021294     -3.407539      5.407104
  H      -5.458635     -2.748952      6.052059
85
Coordinates from ORCA-job orca E -5421.400946787143
  N      -4.051736     -3.257624      2.400699
  C      -4.105063     -3.992322      1.132595
  C      -3.240055     -5.242188      1.229780
  N      -3.665202     -6.008563      2.416636
  C      -4.818017     -6.890550      2.135024
  C      -5.770221     -6.784681      3.317367
  N      -6.033328     -5.373291      3.541053
  Mo     -4.350744     -4.330005      4.062270
  N      -2.544328     -4.937062      4.764754
  C      -1.722042     -5.754758      3.863823
  C      -2.568399     -6.729374      3.075933
  H      -0.972968     -6.343180      4.417462
  H      -1.145557     -5.113556      3.167820
  H      -3.019862     -7.456315      3.765803
  H      -1.953068     -7.288011      2.344151
  H      -6.685456     -7.362165      3.112592
  H      -5.311754     -7.257753      4.207361
  H      -5.330369     -6.519460      1.237435
  H      -4.476274     -7.923037      1.937063
  H      -3.757425     -3.388741      0.280655
  H      -5.148578     -4.283059      0.911443
  H      -2.192987     -4.938183      1.364722
  H      -3.303965     -5.861963      0.315870
  C      -1.213680      0.096742      0.744209
  C      -1.238710     -0.668586      1.845145
  C      -0.448205     -0.306713      3.072658
  C      -2.030051     -1.959053      1.898679
  C      -3.546872     -1.867203      2.292045
  C      -4.349314     -1.063803      1.245020
  C      -3.701347     -1.136878      3.628835
  C      -7.187497     -6.420271      6.604108
  C      -7.908461     -5.474908      5.984284
  C      -8.360846     -4.242016      6.716825
  C      -8.327577     -5.638679      4.546328
  C      -7.440675     -4.957197      3.442951
  C      -8.032940     -5.380327      2.076562
  C      -7.558546     -3.430485      3.498741
  C      -2.793618     -6.282839      8.900126
  C      -2.572009     -6.464425      7.589396
  C      -3.437213     -7.376595      6.768117
  C      -1.426458     -5.778983      6.888832
  C      -1.779086     -4.540661      5.987949
  C      -0.447079     -3.880119      5.564814
  C      -2.518747     -3.532945      6.863332
  H      -0.644194      1.028207      0.710364
  H      -1.757690     -0.184914     -0.159712
  H      -1.090889     -0.240138      3.963441
  H       0.078086      0.649373      2.949770
  H       0.297886     -1.089088      3.289317
  H      -1.574030     -2.643829      2.631013
  H      -1.976054     -2.450033      0.915647
  H      -3.994991     -0.025733      1.220039
  H      -5.412544     -1.068646      1.523433
  H      -4.251039     -1.475580      0.232838
  H      -4.753812     -1.145576      3.937685
  H      -3.113986     -1.618447      4.420203
  H      -3.368478     -0.096360      3.517468
  H      -6.878575     -7.331657      6.089509
  H      -6.872449     -6.306961      7.643142
  H      -9.458919     -4.150082      6.684237
  H      -7.960994     -3.326444      6.260297
  H      -8.046443     -4.265450      7.767350
  H      -8.360836     -6.713834      4.314529
  H      -9.355154     -5.258349      4.414827
  H      -8.025213     -6.469535      1.932846
  H      -7.457804     -4.917342      1.261676
  H      -9.078152     -5.045195      1.995113
  H      -8.614226     -3.135364      3.410813
  H      -7.149332     -3.020732      4.425312
  H      -6.996542     -2.980768      2.666140
  H      -3.619210     -6.781860      9.412420
  H      -2.157901     -5.627910      9.499915
  H      -3.885851     -6.822087      5.930156
  H      -2.833446     -8.185957      6.323151
  H      -4.238357     -7.825982      7.369200
  H      -0.714383     -5.416264      7.645566
  H      -0.879347     -6.519580      6.282238
  H       0.230290     -4.578254      5.054002
  H       0.077766     -3.497002      6.451456
  H      -0.647671     -3.034727      4.890105
  H      -3.482423     -3.922707      7.208047
  H      -1.898334     -3.311681      7.744689
  H      -2.698339     -2.596349      6.320502
  N      -5.020578     -3.408329      5.407921
  H      -5.456213     -2.749165      6.053425
85
Coordinates from ORCA-job orca E -5421.400948540249
  N      -4.051874     -3.257656      2.400812
  C      -4.105296     -3.992401      1.132583
  C      -3.239991     -5.242047      1.229691
  N      -3.664810     -6.008683      2.416470
  C      -4.817542     -6.890785      2.135037
  C      -5.769755     -6.784877      3.317305
  N      -6.032776     -5.373431      3.541089
  Mo     -4.350469     -4.330169      4.062384
  N      -2.543642     -4.936499      4.764265
  C      -1.721490     -5.754296      3.863325
  C      -2.567817     -6.729193      3.075741
  H      -0.972113     -6.342428      4.416871
  H      -1.145283     -5.113149      3.167024
  H      -3.019138     -7.455933      3.765947
  H      -1.952507     -7.287980      2.344052
  H      -6.685046     -7.362226      3.112433
  H      -5.311441     -7.257989      4.207340
  H      -5.329832     -6.520096      1.237248
  H      -4.475657     -7.923292      1.937398
  H      -3.758010     -3.388739      0.280585
  H      -5.148802     -4.283393      0.911838
  H      -2.192987     -4.937852      1.364625
  H      -3.303768     -5.861713      0.315687
  C      -1.214681      0.097732      0.745237
  C      -1.238933     -0.668600      1.845520
  C      -0.447797     -0.307799      3.072968
  C      -2.030146     -1.959137      1.898465
  C      -3.546969     -1.867538      2.291933
  C      -4.349413     -1.064078      1.244961
  C      -3.701226     -1.137051      3.628648
  C      -7.187309     -6.421017      6.604527
  C      -7.908185     -5.475691      5.984584
  C      -8.360922     -4.242972      6.717187
  C      -8.326949     -5.639458      4.546601
  C      -7.440253     -4.957483      3.443356
  C      -8.032743     -5.380458      2.076972
  C      -7.558373     -3.430852      3.499608
  C      -2.796628     -6.280391      8.899230
  C      -2.573722     -6.463245      7.588852
  C      -3.439368     -7.374830      6.767302
  C      -1.427152     -5.779284      6.888578
  C      -1.778444     -4.540569      5.987561
  C      -0.445764     -3.881136      5.564672
  C      -2.517314     -3.532048      6.862589
  H      -0.645284      1.029201      0.711749
  H      -1.759254     -0.183165     -0.158597
  H      -1.089891     -0.241914      3.964245
  H       0.078704      0.648157      2.950536
  H       0.298400     -1.090423      3.288600
  H      -1.574099     -2.644280      2.630463
  H      -1.976160     -2.449642      0.915171
  H      -3.996327     -0.025486      1.221060
  H      -5.412900     -1.070174      1.522553
  H      -4.249859     -1.474843      0.232424
  H      -4.753767     -1.145268      3.937295
  H      -3.114320     -1.618934      4.420139
  H      -3.367740     -0.096720      3.517531
  H      -6.878274     -7.332298      6.089815
  H      -6.872494     -6.307897      7.643629
  H      -9.458959     -4.150851      6.683481
  H      -7.960404     -3.327188      6.261736
  H      -8.047665     -4.267098      7.768019
  H      -8.359977     -6.714546      4.314636
  H      -9.354545     -5.259241      4.414907
  H      -8.026000     -6.469757      1.933615
  H      -7.457224     -4.918226      1.261893
  H      -9.077660     -5.044371      1.995592
  H      -8.614180     -3.135927      3.412448
  H      -7.148929     -3.021269      4.426175
  H      -6.996967     -2.980612      2.666884
  H      -3.623201     -6.778236      9.411122
  H      -2.160802     -5.625620      9.499047
  H      -3.887507     -6.819586      5.929505
  H      -2.836254     -8.184569      6.322191
  H      -4.241002     -7.823554      7.368236
  H      -0.714538     -5.417448      7.645206
  H      -0.881238     -6.520343      6.281516
  H       0.231414     -4.579743      5.054269
  H       0.078846     -3.498062      6.451469
  H      -0.645778     -3.035853      4.889651
  H      -3.480781     -3.921293      7.208292
  H      -1.896444     -3.310183      7.743438
  H      -2.696982     -2.595741      6.319342
  N      -5.019861     -3.408901      5.408533
  H      -5.454461     -2.749479      6.054441
85
Coordinates from ORCA-job orca E -5421.400949956686
  N      -4.051757     -3.257606      2.400942
  C      -4.105401     -3.992483      1.132602
  C      -3.239797     -5.241902      1.229584
  N      -3.664327     -6.008681      2.416413
  C      -4.816917     -6.891012      2.135068
  C      -5.769424     -6.784921      3.317031
  N      -6.032334     -5.373365      3.540840
  Mo     -4.350172     -4.330262      4.062576
  N      -2.542807     -4.935607      4.763741
  C      -1.720794     -5.753516      3.862752
  C      -2.567070     -6.728866      3.075641
  H      -0.970893     -6.341113      4.416132
  H      -1.145027     -5.112388      3.166031
  H      -3.018177     -7.455379      3.766240
  H      -1.951806     -7.287791      2.344042
  H      -6.684814     -7.361987      3.111842
  H      -5.311498     -7.258190      4.207173
  H      -5.328954     -6.520904      1.236888
  H      -4.474884     -7.923574      1.937970
  H      -3.758753     -3.388803      0.280374
  H      -5.148941     -4.283793      0.912555
  H      -2.192782     -4.937699      1.364350
  H      -3.303706     -5.861544      0.315559
  C      -1.215373      0.098303      0.745470
  C      -1.238926     -0.668658      1.845337
  C      -0.447079     -0.308630      3.072527
  C      -2.030043     -1.959247      1.898092
  C      -3.546785     -1.867791      2.291793
  C      -4.349235     -1.064274      1.244883
  C      -3.700993     -1.137266      3.628473
  C      -7.187083     -6.422674      6.604482
  C      -7.907951     -5.477183      5.984857
  C      -8.361226     -4.245091      6.718082
  C      -8.326438     -5.640491      4.546820
  C      -7.440011     -4.957610      3.443912
  C      -8.032745     -5.379948      2.077383
  C      -7.558386     -3.431092      3.501230
  C      -2.800144     -6.277772      8.898489
  C      -2.575889     -6.461744      7.588481
  C      -3.442103     -7.372439      6.766447
  C      -1.428106     -5.779457      6.888665
  C      -1.777724     -4.540376      5.987343
  C      -0.444221     -3.882300      5.564860
  C      -2.515697     -3.530879      6.861791
  H      -0.645950      1.029746      0.712058
  H      -1.760684     -0.182039     -0.158102
  H      -1.088582     -0.242850      3.964233
  H       0.079919      0.647025      2.950041
  H       0.298983     -1.091551      3.287562
  H      -1.573838     -2.644513      2.629891
  H      -1.976243     -2.449716      0.914768
  H      -3.997736     -0.025115      1.222569
  H      -5.413017     -1.072164      1.521308
  H      -4.247963     -1.473595      0.231918
  H      -4.753619     -1.145107      3.936862
  H      -3.114445     -1.619488      4.420010
  H      -3.366945     -0.097057      3.517748
  H      -6.877920     -7.333509      6.089153
  H      -6.872510     -6.310292      7.643687
  H      -9.459293     -4.153255      6.683601
  H      -7.960422     -3.328769      6.264028
  H      -8.048839     -4.270293      7.769134
  H      -8.359155     -6.715448      4.314411
  H      -9.354085     -5.260465      4.415146
  H      -8.026813     -6.469239      1.933815
  H      -7.456957     -4.917969      1.262338
  H      -9.077435     -5.043090      1.996254
  H      -8.614343     -3.136454      3.414828
  H      -7.148811     -3.021886      4.427957
  H      -6.997607     -2.980072      2.668548
  H      -3.627840     -6.774318      9.409814
  H      -2.164075     -5.623383      9.498463
  H      -3.889595     -6.816171      5.928916
  H      -2.839786     -8.182565      6.321039
  H      -4.244312     -7.820470      7.367106
  H      -0.715003     -5.418449      7.645171
  H      -0.883465     -6.521232      6.281425
  H       0.232577     -4.581447      5.054818
  H       0.080238     -3.499473      6.451831
  H      -0.643368     -3.037014      4.889635
  H      -3.479105     -3.919474      7.208338
  H      -1.894474     -3.308422      7.742259
  H      -2.695148     -2.594902      6.317922
  N      -5.019103     -3.409624      5.409381
  H      -5.452742     -2.750001      6.055707
85
Coordinates from ORCA-job orca E -5421.400951345619
  N      -4.051564     -3.257544      2.400834
  C      -4.105435     -3.992667      1.132535
  C      -3.239633     -5.241941      1.229429
  N      -3.663959     -6.008606      2.416476
  C      -4.816383     -6.891223      2.135231
  C      -5.769352     -6.784760      3.316775
  N      -6.032191     -5.373086      3.540360
  Mo     -4.350041     -4.330105      4.062744
  N      -2.542144     -4.934494      4.763256
  C      -1.720239     -5.752618      3.862343
  C      -2.566459     -6.728464      3.075768
  H      -0.969853     -6.339616      4.415695
  H      -1.144854     -5.111577      3.165200
  H      -3.017375     -7.454747      3.766736
  H      -1.951197     -7.287545      2.344301
  H      -6.684827     -7.361553      3.111221
  H      -5.311883     -7.258146      4.207096
  H      -5.328107     -6.521769      1.236594
  H      -4.474250     -7.923876      1.938816
  H      -3.759494     -3.389061      0.279970
  H      -5.149032     -4.284292      0.913203
  H      -2.192536     -4.937897      1.363842
  H      -3.303944     -5.861699      0.315503
  C      -1.215248      0.098303      0.745490
  C      -1.238667     -0.668962      1.845127
  C      -0.446816     -0.309335      3.072385
  C      -2.029762     -1.959526      1.897724
  C      -3.546422     -1.867920      2.291408
  C      -4.348668     -1.064413      1.244350
  C      -3.700831     -1.137395      3.628048
  C      -7.187019     -6.424314      6.604265
  C      -7.907870     -5.478566      5.985055
  C      -8.361560     -4.247070      6.718938
  C      -8.326199     -5.641388      4.546931
  C      -7.440081     -4.957588      3.444352
  C      -8.032982     -5.379240      2.077671
  C      -7.558785     -3.431164      3.502740
  C      -2.801586     -6.276633      8.898261
  C      -2.577261     -6.460554      7.588227
  C      -3.444598     -7.369844      6.765731
  C      -1.428685     -5.779458      6.888557
  C      -1.777201     -4.539993      5.987248
  C      -0.443164     -3.882739      5.565179
  C      -2.514654     -3.530024      6.861419
  H      -0.645855      1.029743      0.712307
  H      -1.760871     -0.181669     -0.157991
  H      -1.088384     -0.243270      3.964022
  H       0.080661      0.646029      2.949765
  H       0.298964     -1.092482      3.287701
  H      -1.573529     -2.644733      2.629559
  H      -1.976071     -2.450256      0.914588
  H      -3.998031     -0.024848      1.223092
  H      -5.412737     -1.073510      1.519915
  H      -4.246086     -1.472949      0.231108
  H      -4.753565     -1.144884      3.936101
  H      -3.114612     -1.619945      4.419619
  H      -3.366284     -0.097269      3.517670
  H      -6.877802     -7.334685      6.088245
  H      -6.872602     -6.312720      7.643552
  H      -9.459708     -4.155767      6.684331
  H      -7.960898     -3.330240      6.265782
  H      -8.049381     -4.273064      7.770045
  H      -8.358449     -6.716261      4.314124
  H      -9.353983     -5.261736      4.415414
  H      -8.027310     -6.468474      1.933545
  H      -7.457148     -4.916963      1.262805
  H      -9.077652     -5.042149      1.996836
  H      -8.614924     -3.136928      3.417116
  H      -7.148974     -3.022302      4.429494
  H      -6.998723     -2.979383      2.669970
  H      -3.629934     -6.772361      9.409346
  H      -2.164735     -5.623153      9.498419
  H      -3.891540     -6.812346      5.928673
  H      -2.843340     -8.180355      6.319628
  H      -4.247237     -7.817267      7.366269
  H      -0.715066     -5.419097      7.644865
  H      -0.885053     -6.521845      6.281157
  H       0.233213     -4.582094      5.054938
  H       0.081410     -3.500554      6.452336
  H      -0.641675     -3.037080      4.890239
  H      -3.478144     -3.918183      7.208103
  H      -1.893421     -3.307530      7.741845
  H      -2.693690     -2.594138      6.317265
  N      -5.018717     -3.410010      5.410050
  H      -5.452009     -2.750278      6.056474
85
Coordinates from ORCA-job orca E -5421.400954180644
  N      -4.051307     -3.257468      2.400739
  C      -4.105549     -3.992921      1.132632
  C      -3.239465     -5.242019      1.229171
  N      -3.663396     -6.008473      2.416630
  C      -4.815483     -6.891654      2.135571
  C      -5.769325     -6.784520      3.316376
  N      -6.032195     -5.372684      3.539363
  Mo     -4.350029     -4.329772      4.063116
  N      -2.541307     -4.932771      4.762733
  C      -1.719422     -5.750931      3.861780
  C      -2.565420     -6.727649      3.075999
  H      -0.968222     -6.336981      4.414994
  H      -1.144775     -5.109820      3.164053
  H      -3.015885     -7.453763      3.767430
  H      -1.950056     -7.286777      2.344678
  H      -6.684834     -7.361023      3.110178
  H      -5.312588     -7.257992      4.207050
  H      -5.326719     -6.523264      1.236199
  H      -4.473169     -7.924459      1.940322
  H      -3.760801     -3.389341      0.279553
  H      -5.149222     -4.285105      0.914368
  H      -2.192197     -4.938247      1.362841
  H      -3.304612     -5.861967      0.315433
  C      -1.214811      0.097604      0.744584
  C      -1.238192     -0.669511      1.844333
  C      -0.446218     -0.309791      3.071415
  C      -2.029354     -1.959997      1.897411
  C      -3.545860     -1.867957      2.291107
  C      -4.347854     -1.064428      1.243926
  C      -3.700573     -1.137642      3.627788
  C      -7.187345     -6.426422      6.604097
  C      -7.907710     -5.480094      5.985256
  C      -8.361352     -4.249000      6.719721
  C      -8.325952     -5.642473      4.547021
  C      -7.440370     -4.957627      3.444719
  C      -8.033554     -5.378488      2.077916
  C      -7.559470     -3.431288      3.504316
  C      -2.801939     -6.277294      8.898440
  C      -2.578763     -6.459476      7.587967
  C      -3.448307     -7.365763      6.764417
  C      -1.429411     -5.779387      6.888600
  C      -1.776780     -4.539437      5.987510
  C      -0.442286     -3.882664      5.566321
  C      -2.514094     -3.529382      6.861467
  H      -0.645282      1.029013      0.711285
  H      -1.760834     -0.182268     -0.158675
  H      -1.087916     -0.242753      3.962854
  H       0.081856      0.645180      2.948108
  H       0.299019     -1.093152      3.287553
  H      -1.572987     -2.644740      2.629592
  H      -1.975913     -2.451650      0.914786
  H      -3.998346     -0.024461      1.224257
  H      -5.412243     -1.075274      1.518268
  H      -4.243517     -1.471764      0.230371
  H      -4.753414     -1.144751      3.935498
  H      -3.114628     -1.620635      4.419287
  H      -3.365501     -0.097568      3.517912
  H      -6.878483     -7.336418      6.087337
  H      -6.873054     -6.315786      7.643467
  H      -9.459593     -4.158113      6.685482
  H      -7.960830     -3.331838      6.267100
  H      -8.048903     -4.275670      7.770758
  H      -8.357402     -6.717314      4.313913
  H      -9.354026     -5.263577      4.415801
  H      -8.027974     -6.467611      1.932985
  H      -7.457779     -4.915649      1.263335
  H      -9.078273     -5.041382      1.997407
  H      -8.615857     -3.137579      3.420138
  H      -7.148717     -3.022731      4.430772
  H      -7.000769     -2.978759      2.671070
  H      -3.630847     -6.772381      9.409205
  H      -2.163441     -5.625928      9.499198
  H      -3.894481     -6.805821      5.928515
  H      -2.848862     -8.176629      6.316554
  H      -4.251449     -7.812636      7.364658
  H      -0.715368     -5.419696      7.644788
  H      -0.886664     -6.522435      6.281221
  H       0.233593     -4.581914      5.055443
  H       0.082504     -3.501692      6.453824
  H      -0.640066     -3.036199      4.892228
  H      -3.477803     -3.917391      7.207727
  H      -1.893134     -3.307141      7.742165
  H      -2.692587     -2.593479      6.317118
  N      -5.018645     -3.410647      5.411112
  H      -5.451910     -2.750757      6.057400
85
Coordinates from ORCA-job orca E -5421.400956825334
  N      -4.051348     -3.257518      2.400399
  C      -4.105804     -3.993265      1.132635
  C      -3.239468     -5.242227      1.228845
  N      -3.662978     -6.008371      2.416752
  C      -4.814731     -6.892108      2.136015
  C      -5.769395     -6.784225      3.316137
  N      -6.032404     -5.372264      3.538261
  Mo     -4.350229     -4.329309      4.063388
  N      -2.540694     -4.931034      4.762242
  C      -1.718786     -5.749185      3.861295
  C      -2.564574     -6.726751      3.076313
  H      -0.966970     -6.334471      4.414462
  H      -1.144799     -5.108036      3.163056
  H      -3.014588     -7.452693      3.768205
  H      -1.949047     -7.285971      2.345192
  H      -6.684824     -7.360651      3.109347
  H      -5.313311     -7.257589      4.207226
  H      -5.325602     -6.524735      1.236005
  H      -4.472249     -7.925071      1.941954
  H      -3.762078     -3.389649      0.279146
  H      -5.149498     -4.286051      0.915138
  H      -2.192049     -4.938624      1.361724
  H      -3.305418     -5.862417      0.315338
  C      -1.213711      0.096389      0.744161
  C      -1.237690     -0.670391      1.844102
  C      -0.446285     -0.310328      3.071419
  C      -2.029080     -1.960659      1.897432
  C      -3.545537     -1.867984      2.290688
  C      -4.347039     -1.064535      1.243124
  C      -3.700685     -1.137773      3.627343
  C      -7.188220     -6.428122      6.604146
  C      -7.907596     -5.481021      5.985347
  C      -8.360479     -4.249753      6.719941
  C      -8.325828     -5.643188      4.547001
  C      -7.440791     -4.957690      3.444762
  C      -8.034230     -5.378144      2.077973
  C      -7.560293     -3.431383      3.504987
  C      -2.799391     -6.279812      8.899120
  C      -2.579120     -6.458881      7.587702
  C      -3.451744     -7.361426      6.763264
  C      -1.429587     -5.779202      6.888167
  C      -1.776605     -4.538755      5.987749
  C      -0.442070     -3.881704      5.567382
  C      -2.514245     -3.529279      6.862050
  H      -0.644067      1.027732      0.711011
  H      -1.759508     -0.183504     -0.159194
  H      -1.088782     -0.242016      3.962191
  H       0.082390      0.644283      2.947623
  H       0.298220     -1.093976      3.289025
  H      -1.572914     -2.645002      2.630086
  H      -1.975649     -2.453070      0.915280
  H      -3.997721     -0.024397      1.224069
  H      -5.411680     -1.076105      1.516752
  H      -4.241666     -1.471672      0.229505
  H      -4.753631     -1.144569      3.934705
  H      -3.114996     -1.621046      4.418901
  H      -3.365293     -0.097722      3.517708
  H      -6.880111     -7.338176      6.087090
  H      -6.873993     -6.318088      7.643580
  H      -9.458756     -4.158676      6.686437
  H      -7.959879     -3.332745      6.267041
  H      -8.047342     -4.276560      7.770803
  H      -8.356532     -6.718072      4.313813
  H      -9.354225     -5.265088      4.416068
  H      -8.028206     -6.467174      1.932402
  H      -7.458724     -4.914582      1.263619
  H      -9.079157     -5.041538      1.997693
  H      -8.616919     -3.138152      3.422545
  H      -7.148069     -3.022934      4.430761
  H      -7.003206     -2.978418      2.670891
  H      -3.628261     -6.774760      9.410093
  H      -2.158524     -5.631227      9.500433
  H      -3.897358     -6.798771      5.928840
  H      -2.854531     -8.172684      6.313088
  H      -4.255175     -7.807805      7.363493
  H      -0.715070     -5.420121      7.644228
  H      -0.887396     -6.522565      6.280590
  H       0.233448     -4.580461      5.055394
  H       0.083108     -3.502165      6.455256
  H      -0.639593     -3.034190      4.894538
  H      -3.478257     -3.917439      7.207228
  H      -1.893778     -3.307958      7.743303
  H      -2.692155     -2.593052      6.318091
  N      -5.019004     -3.410978      5.411843
  H      -5.452667     -2.750815      6.057594
85
Coordinates from ORCA-job orca E -5421.400960433440
  N      -4.051808     -3.257697      2.400108
  C      -4.106351     -3.993570      1.132765
  C      -3.239669     -5.242373      1.228451
  N      -3.662547     -6.008293      2.416794
  C      -4.813888     -6.892683      2.136527
  C      -5.769432     -6.784007      3.315935
  N      -6.032747     -5.371958      3.536940
  Mo     -4.350576     -4.328914      4.063717
  N      -2.540007     -4.929159      4.761720
  C      -1.718032     -5.747048      3.860616
  C      -2.563602     -6.725575      3.076537
  H      -0.965623     -6.331687      4.413622
  H      -1.144861     -5.105746      3.161856
  H      -3.012991     -7.451375      3.768983
  H      -1.947889     -7.284878      2.345612
  H      -6.684613     -7.360603      3.108434
  H      -5.314033     -7.257089      4.207546
  H      -5.324486     -6.526387      1.235910
  H      -4.471155     -7.925803      1.943779
  H      -3.763590     -3.389719      0.279028
  H      -5.149982     -4.287105      0.915778
  H      -2.192140     -4.938743      1.360440
  H      -3.306397     -5.862772      0.315163
  C      -1.212020      0.094072      0.743264
  C      -1.237144     -0.671648      1.843944
  C      -0.446435     -0.310493      3.071405
  C      -2.029019     -1.961554      1.898054
  C      -3.545509     -1.868034      2.290675
  C      -4.346380     -1.064507      1.242791
  C      -3.701050     -1.138057      3.627365
  C      -7.190076     -6.430031      6.604398
  C      -7.907516     -5.481714      5.985237
  C      -8.358591     -4.249582      6.719485
  C      -8.325736     -5.643783      4.546772
  C      -7.441276     -4.957928      3.444444
  C      -8.034997     -5.378244      2.077757
  C      -7.561138     -3.431595      3.504887
  C      -2.794227     -6.284417      8.900402
  C      -2.578833     -6.458529      7.587521
  C      -3.455976     -7.355694      6.762058
  C      -1.429513     -5.778876      6.887572
  C      -1.776579     -4.537978      5.988062
  C      -0.442321     -3.879944      5.568746
  C      -2.515125     -3.529629      6.862949
  H      -0.641927      1.025206      0.709782
  H      -1.757218     -0.186402     -0.160269
  H      -1.089900     -0.240194      3.961288
  H       0.082896      0.643675      2.946794
  H       0.297045     -1.094427      3.290996
  H      -1.573252     -2.645358      2.631437
  H      -1.975551     -2.454895      0.916383
  H      -3.996920     -0.024456      1.224191
  H      -5.411168     -1.076386      1.515751
  H      -4.240263     -1.471523      0.229246
  H      -4.754065     -1.144673      3.934511
  H      -3.115534     -1.621503      4.418974
  H      -3.365588     -0.097994      3.517875
  H      -6.883365     -7.340668      6.087525
  H      -6.875942     -6.320362      7.643914
  H      -9.456807     -4.157384      6.687017
  H      -7.957399     -3.333332      6.265549
  H      -8.044434     -4.276107      7.770083
  H      -8.355775     -6.718752      4.313645
  H      -9.354485     -5.266513      4.416102
  H      -8.028020     -6.467173      1.931651
  H      -7.459989     -4.913791      1.263607
  H      -9.080253     -5.042640      1.997645
  H      -8.617975     -3.138701      3.424832
  H      -7.146571     -3.023157      4.429550
  H      -7.006165     -2.978473      2.669523
  H      -3.622670     -6.779484      9.411922
  H      -2.149915     -5.639879      9.502438
  H      -3.901056     -6.789335      5.929813
  H      -2.861895     -8.167414      6.308499
  H      -4.259605     -7.801546      7.362396
  H      -0.714598     -5.420425      7.643587
  H      -0.887613     -6.522318      6.279754
  H       0.233060     -4.577859      5.055488
  H       0.083172     -3.501940      6.457073
  H      -0.639894     -3.031274      4.897421
  H      -3.479571     -3.918331      7.206404
  H      -1.895403     -3.309653      7.745077
  H      -2.692448     -2.592844      6.319704
  N      -5.019697     -3.411586      5.412671
  H      -5.454064     -2.750890      6.057458
85
Coordinates from ORCA-job orca E -5421.400964075925
  N      -4.052777     -3.258015      2.399694
  C      -4.107125     -3.993822      1.132677
  C      -3.240086     -5.242458      1.228065
  N      -3.662362     -6.008256      2.416668
  C      -4.813413     -6.893099      2.136945
  C      -5.769436     -6.783851      3.315957
  N      -6.033081     -5.371769      3.535955
  Mo     -4.350936     -4.328692      4.063815
  N      -2.539413     -4.927661      4.761101
  C      -1.717471     -5.745322      3.859850
  C      -2.563046     -6.724559      3.076616
  H      -0.964803     -6.329751      4.412712
  H      -1.144886     -5.103993      3.160684
  H      -3.011947     -7.450059      3.769705
  H      -1.947270     -7.284172      2.345931
  H      -6.684296     -7.360831      3.107984
  H      -5.314458     -7.256496      4.208018
  H      -5.324021     -6.527525      1.236039
  H      -4.470462     -7.926318      1.945132
  H      -3.764746     -3.389687      0.278972
  H      -5.150599     -4.287967      0.915620
  H      -2.192575     -4.938505      1.359489
  H      -3.307091     -5.863008      0.314923
  C      -1.209746      0.091398      0.743387
  C      -1.236732     -0.673139      1.844807
  C      -0.447440     -0.310887      3.072916
  C      -2.029293     -1.962541      1.899087
  C      -3.545986     -1.868239      2.290681
  C      -4.345976     -1.064594      1.242294
  C      -3.701956     -1.138254      3.627301
  C      -7.192628     -6.432133      6.604525
  C      -7.907699     -5.482386      5.984851
  C      -8.356507     -4.249141      6.718661
  C      -8.325794     -5.644121      4.546253
  C      -7.441634     -4.958152      3.443895
  C      -8.035437     -5.378570      2.077278
  C      -7.561776     -3.431776      3.504193
  C      -2.787188     -6.288721      8.902020
  C      -2.577636     -6.457972      7.587550
  C      -3.459917     -7.349749      6.761791
  C      -1.428915     -5.778446      6.886465
  C      -1.776450     -4.537198      5.987923
  C      -0.442628     -3.878074      5.569246
  C      -2.515794     -3.530013      6.863670
  H      -0.639169      1.022212      0.709827
  H      -1.753704     -0.189765     -0.160667
  H      -1.092378     -0.238411      3.961563
  H       0.082831      0.642714      2.947866
  H       0.294776     -1.095335      3.294857
  H      -1.574392     -2.646274      2.633031
  H      -1.975538     -2.456059      0.917531
  H      -3.995388     -0.024894      1.223038
  H      -5.410807     -1.075406      1.515179
  H      -4.240061     -1.472464      0.229049
  H      -4.755031     -1.144915      3.934247
  H      -3.116585     -1.621546      4.419167
  H      -3.366759     -0.098138      3.517607
  H      -6.887489     -7.343636      6.088153
  H      -6.878738     -6.322678      7.644186
  H      -9.454566     -4.155125      6.686953
  H      -7.954236     -3.333911      6.263607
  H      -8.041592     -4.275358      7.769058
  H      -8.355655     -6.719112      4.313033
  H      -9.354727     -5.267223      4.415722
  H      -8.027069     -6.467418      1.930821
  H      -7.461065     -4.913150      1.263286
  H      -9.081104     -5.044322      1.997285
  H      -8.618753     -3.139023      3.426479
  H      -7.144846     -3.023355      4.427721
  H      -7.008745     -2.978630      2.667593
  H      -3.614874     -6.783816      9.414755
  H      -2.139001     -5.648280      9.504308
  H      -3.904751     -6.779994      5.931719
  H      -2.869331     -8.162219      6.304888
  H      -4.263556     -7.794743      7.362771
  H      -0.713278     -5.420736      7.642228
  H      -0.887517     -6.521823      6.278022
  H       0.232777     -4.575245      5.054954
  H       0.083123     -3.501151      6.457905
  H      -0.640610     -3.028592      4.899092
  H      -3.480730     -3.919092      7.205336
  H      -1.896748     -3.311691      7.746679
  H      -2.692412     -2.592510      6.321465
  N      -5.020303     -3.412020      5.413082
  H      -5.455272     -2.750454      6.056614
85
Coordinates from ORCA-job orca E -5421.400969010521
  N      -4.054399     -3.258364      2.399523
  C      -4.108345     -3.993794      1.132606
  C      -3.240824     -5.242199      1.227722
  N      -3.662335     -6.008176      2.416349
  C      -4.813153     -6.893374      2.137235
  C      -5.769250     -6.783902      3.316179
  N      -6.033317     -5.371845      3.535418
  Mo     -4.351204     -4.328825      4.063854
  N      -2.538625     -4.926483      4.760326
  C      -1.716837     -5.743769      3.858725
  C      -2.562656     -6.723541      3.076340
  H      -0.964033     -6.328330      4.411242
  H      -1.144806     -5.102393      3.159205
  H      -3.011062     -7.448593      3.770254
  H      -1.947029     -7.283643      2.345853
  H      -6.683706     -7.361491      3.107963
  H      -5.314411     -7.255983      4.208591
  H      -5.324076     -6.528197      1.236353
  H      -4.469923     -7.926599      1.945923
  H      -3.765842     -3.389262      0.279234
  H      -5.151577     -4.288405      0.914986
  H      -2.193479     -4.937559      1.358875
  H      -3.307610     -5.862748      0.314580
  C      -1.206776      0.087699      0.743432
  C      -1.236363     -0.674918      1.846116
  C      -0.448726     -0.311086      3.074909
  C      -2.029964     -1.963662      1.900711
  C      -3.546978     -1.868572      2.291258
  C      -4.345913     -1.064406      1.242552
  C      -3.703208     -1.138594      3.627849
  C      -7.196448     -6.435155      6.604325
  C      -7.908458     -5.483609      5.983974
  C      -8.354501     -4.249060      6.717325
  C      -8.326091     -5.644565      4.545171
  C      -7.441795     -4.958510      3.443090
  C      -8.035309     -5.379067      2.076346
  C      -7.562151     -3.432081      3.503196
  C      -2.778207     -6.292698      8.904295
  C      -2.575808     -6.456881      7.588086
  C      -3.464578     -7.342403      6.762689
  C      -1.427938     -5.777958      6.885086
  C      -1.776040     -4.536483      5.987375
  C      -0.442722     -3.876240      5.569118
  C      -2.516141     -3.530380      6.863933
  H      -0.635291      1.017949      0.709261
  H      -1.749110     -0.194736     -0.161219
  H      -1.095128     -0.235901      3.962208
  H       0.082820      0.641690      2.949263
  H       0.291925     -1.096138      3.299460
  H      -1.576232     -2.647625      2.635142
  H      -1.975935     -2.456978      0.918973
  H      -3.993522     -0.025438      1.222204
  H      -5.410614     -1.073059      1.515683
  H      -4.241024     -1.473302      0.229725
  H      -4.756300     -1.145604      3.934758
  H      -3.117861     -1.621482      4.419972
  H      -3.368631     -0.098388      3.517801
  H      -6.893077     -7.347754      6.088702
  H      -6.883160     -6.325957      7.644260
  H      -9.452292     -4.152454      6.685886
  H      -7.950469     -3.335090      6.261310
  H      -8.039325     -4.275135      7.767648
  H      -8.356277     -6.719464      4.311536
  H      -9.354988     -5.267500      4.414552
  H      -8.025103     -6.467823      1.929531
  H      -7.461659     -4.912476      1.262589
  H      -9.081449     -5.046513      1.996418
  H      -8.619188     -3.139254      3.427911
  H      -7.142836     -3.023819      4.425666
  H      -7.010951     -2.978893      2.665493
  H      -3.604954     -6.787390      9.418905
  H      -2.125232     -5.656973      9.506399
  H      -3.909335     -6.768880      5.935155
  H      -2.878514     -8.156056      6.301967
  H      -4.268131     -7.785949      7.364846
  H      -0.711135     -5.421204      7.640251
  H      -0.887597     -6.521349      6.275679
  H       0.232998     -4.572842      5.054416
  H       0.082937     -3.499684      6.458007
  H      -0.641329     -3.026495      4.899531
  H      -3.481657     -3.919751      7.203787
  H      -1.897777     -3.313766      7.747867
  H      -2.691986     -2.592044      6.322844
  N      -5.020638     -3.412739      5.413489
  H      -5.456062     -2.749742      6.055310
85
Coordinates from ORCA-job orca E -5421.400974870725
  N      -4.056502     -3.258616      2.399416
  C      -4.109905     -3.993545      1.132312
  C      -3.241842     -5.241661      1.227425
  N      -3.662600     -6.008024      2.415847
  C      -4.813311     -6.893397      2.137334
  C      -5.768904     -6.784088      3.316663
  N      -6.033350     -5.372085      3.535591
  Mo     -4.351327     -4.329186      4.063700
  N      -2.537810     -4.925723      4.759341
  C      -1.716353     -5.742693      3.857311
  C      -2.562680     -6.722750      3.075767
  H      -0.963460     -6.327591      4.409346
  H      -1.144741     -5.101347      3.157487
  H      -3.010747     -7.447094      3.770694
  H      -1.947449     -7.283613      2.345485
  H      -6.683045     -7.362325      3.108729
  H      -5.313756     -7.255545      4.209208
  H      -5.324859     -6.528229      1.236818
  H      -4.469823     -7.926523      1.945910
  H      -3.766774     -3.388724      0.279422
  H      -5.152885     -4.288313      0.913856
  H      -2.194793     -4.936090      1.358690
  H      -3.307885     -5.862080      0.314146
  C      -1.203268      0.083849      0.744416
  C      -1.236068     -0.676815      1.848268
  C      -0.450720     -0.311714      3.078209
  C      -2.030927     -1.964785      1.902420
  C      -3.548338     -1.869021      2.291844
  C      -4.345970     -1.064093      1.242742
  C      -3.704849     -1.138802      3.628333
  C      -7.201139     -6.439362      6.603382
  C      -7.909920     -5.485772      5.982597
  C      -8.353274     -4.250255      6.715976
  C      -8.326751     -5.645185      4.543506
  C      -7.441711     -4.958842      3.442225
  C      -8.034363     -5.379399      2.075035
  C      -7.562255     -3.432413      3.502380
  C      -2.768176     -6.294556      8.907170
  C      -2.573427     -6.454846      7.589326
  C      -3.469545     -7.334252      6.765424
  C      -1.426544     -5.777551      6.883282
  C      -1.775182     -4.535890      5.986202
  C      -0.442211     -3.875107      5.567778
  C      -2.515370     -3.530387      6.863530
  H      -0.630820      1.013408      0.709862
  H      -1.743654     -0.199845     -0.161013
  H      -1.098886     -0.233606      3.963933
  H       0.082762      0.639881      2.952207
  H       0.288038     -1.097696      3.305688
  H      -1.578680     -2.649574      2.636968
  H      -1.976588     -2.457151      0.920151
  H      -3.990780     -0.026140      1.220466
  H      -5.410432     -1.069184      1.516681
  H      -4.243098     -1.474703      0.230447
  H      -4.757968     -1.146422      3.935151
  H      -3.119460     -1.621020      4.420814
  H      -3.371112     -0.098466      3.517740
  H      -6.899418     -7.352899      6.088305
  H      -6.888841     -6.330835      7.643740
  H      -9.450727     -4.150678      6.683893
  H      -7.946805     -3.337375      6.259972
  H      -8.038810     -4.276939      7.766482
  H      -8.357854     -6.719810      4.308908
  H      -9.355300     -5.267192      4.412609
  H      -8.022296     -6.468054      1.927811
  H      -7.461251     -4.911608      1.261652
  H      -9.080925     -5.048440      1.995047
  H      -8.619308     -3.139453      3.429124
  H      -7.141257     -3.024479      4.424197
  H      -7.012411     -2.978951      2.664002
  H      -3.593918     -6.788097      9.424495
  H      -2.109847     -5.663385      9.508223
  H      -3.914507     -6.757229      5.940445
  H      -2.888804     -8.149669      6.300988
  H      -4.272872     -7.775518      7.369563
  H      -0.707641     -5.422063      7.637100
  H      -0.888463     -6.521340      6.272357
  H       0.233889     -4.571638      5.053387
  H       0.083133     -3.498065      6.456683
  H      -0.641478     -3.025785      4.897893
  H      -3.481448     -3.919555      7.202088
  H      -1.897432     -3.315348      7.748168
  H      -2.690304     -2.591250      6.323532
  N      -5.020474     -3.413311      5.413674
  H      -5.455846     -2.748188      6.053382
85
Coordinates from ORCA-job orca E -5421.401142188866
  N      -4.026325     -3.281639      2.399405
  C      -4.079778     -4.016353      1.132168
  C      -3.220012     -5.270002      1.227822
  N      -3.650263     -6.033622      2.413736
  C      -4.810350     -6.905940      2.133197
  C      -5.766855     -6.789828      3.311631
  N      -6.017264     -5.376163      3.535000
  Mo     -4.324168     -4.351524      4.063127
  N      -2.514050     -4.965493      4.757914
  C      -1.701958     -5.791106      3.856146
  C      -2.559913     -6.760904      3.074681
  H      -0.956595     -6.386247      4.407905
  H      -1.122383     -5.156916      3.156241
  H      -3.017169     -7.478721      3.770474
  H      -1.951186     -7.330417      2.345149
  H      -6.686294     -7.358934      3.100045
  H      -5.318156     -7.268444      4.203786
  H      -5.317411     -6.532936      1.233371
  H      -4.477454     -7.942350      1.939476
  H      -3.731671     -3.412484      0.280772
  H      -5.123579     -4.306477      0.910074
  H      -2.171677     -4.970906      1.363002
  H      -3.286797     -5.889862      0.313868
  C      -1.275759      0.146964      0.737224
  C      -1.292757     -0.609253      1.845361
  C      -0.531502     -0.210408      3.080111
  C      -2.039819     -1.922606      1.898658
  C      -3.557757     -1.878054      2.293623
  C      -4.383003     -1.095852      1.252884
  C      -3.730667     -1.157252      3.631444
  C      -7.231434     -6.429198      6.593867
  C      -7.917876     -5.462941      5.966480
  C      -8.346201     -4.219779      6.697221
  C      -8.323907     -5.614458      4.522740
  C      -7.418187     -4.942808      3.428588
  C      -8.006913     -5.354058      2.056469
  C      -7.513647     -3.414430      3.486308
  C      -2.733537     -6.290987      8.948087
  C      -2.580787     -6.457115      7.625204
  C      -3.533809     -7.298353      6.825859
  C      -1.425395     -5.825636      6.891231
  C      -1.746812     -4.583812      5.983902
  C      -0.399263     -3.954634      5.564431
  C      -2.465741     -3.555973      6.852632
  H      -0.737091      1.096414      0.703286
  H      -1.796130     -0.160876     -0.172094
  H      -1.190032     -0.146588      3.959541
  H      -0.027478      0.756960      2.952684
  H       0.229940     -0.971216      3.319807
  H      -1.562022     -2.592697      2.631061
  H      -1.969452     -2.408903      0.913721
  H      -4.055770     -0.048582      1.226048
  H      -5.445107     -1.126536      1.534692
  H      -4.280039     -1.502368      0.238388
  H      -4.781551     -1.197760      3.944901
  H      -3.126967     -1.620870      4.421994
  H      -3.431316     -0.105991      3.522434
  H      -6.937972     -7.347400      6.081117
  H      -6.926414     -6.325141      7.637544
  H      -9.441595     -4.100944      6.655019
  H      -7.919821     -3.312825      6.244598
  H      -8.041403     -4.252067      7.751783
  H      -8.370566     -6.688903      4.286748
  H      -9.345370     -5.220064      4.382486
  H      -8.008097     -6.442677      1.908697
  H      -7.421474     -4.893678      1.247845
  H      -9.048260     -5.008988      1.968714
  H      -8.564864     -3.103014      3.405975
  H      -7.090778     -3.012957      4.410522
  H      -6.950359     -2.971394      2.651867
  H      -3.565426     -6.750227      9.486726
  H      -2.035195     -5.687300      9.531918
  H      -3.985219     -6.700953      6.019126
  H      -2.997774     -8.130977      6.338565
  H      -4.332705     -7.714852      7.453230
  H      -0.683993     -5.485878      7.630514
  H      -0.920650     -6.592875      6.280880
  H       0.263648     -4.669890      5.058722
  H       0.130918     -3.580484      6.451837
  H      -0.579522     -3.108009      4.886337
  H      -3.443054     -3.918629      7.186921
  H      -1.847073     -3.352916      7.739404
  H      -2.614078     -2.615570      6.307667
  N      -4.981009     -3.427246      5.413728
  H      -5.409499     -2.749331      6.045088
85
Coordinates from ORCA-job orca E -5421.401269554181
  N      -4.022619     -3.282201      2.411626
  C      -4.076322     -4.017704      1.145316
  C      -3.214789     -5.269937      1.242188
  N      -3.643025     -6.033025      2.428434
  C      -4.801889     -6.907355      2.149129
  C      -5.760238     -6.791136      3.326271
  N      -6.012316     -5.377870      3.547806
  Mo     -4.319402     -4.352222      4.075494
  N      -2.506054     -4.962127      4.770509
  C      -1.693675     -5.786816      3.869575
  C      -2.552422     -6.758311      3.091017
  H      -0.948197     -6.382165      4.421563
  H      -1.114401     -5.153726      3.168173
  H      -3.009608     -7.473109      3.790300
  H      -1.944473     -7.331025      2.362948
  H      -6.678636     -7.362078      3.113379
  H      -5.312287     -7.267986      4.219939
  H      -5.308883     -6.535894      1.248660
  H      -4.467334     -7.943660      1.956697
  H      -3.725941     -3.413753      0.294809
  H      -5.119910     -4.307998      0.920286
  H      -2.167414     -4.967396      1.378100
  H      -3.278857     -5.891180      0.328800
  C      -1.316228      0.161984      0.708387
  C      -1.310455     -0.605538      1.809691
  C      -0.516336     -0.221836      3.028757
  C      -2.055098     -1.917473      1.866750
  C      -3.561960     -1.876708      2.301698
  C      -4.413729     -1.095286      1.285799
  C      -3.700858     -1.160392      3.644361
  C      -7.281916     -6.427776      6.590132
  C      -7.950582     -5.456237      5.951132
  C      -8.379807     -4.208655      6.674621
  C      -8.335134     -5.606061      4.501053
  C      -7.409960     -4.940347      3.419412
  C      -7.981579     -5.352784      2.040177
  C      -7.500551     -3.411467      3.471681
  C      -2.686170     -6.348159      8.959887
  C      -2.561682     -6.475281      7.629506
  C      -3.541346     -7.279268      6.823897
  C      -1.413376     -5.834650      6.893103
  C      -1.742899     -4.585117      5.999496
  C      -0.399653     -3.941410      5.587651
  C      -2.469192     -3.569964      6.876786
  H      -0.776585      1.110727      0.671697
  H      -1.858107     -0.135733     -0.191765
  H      -1.150876     -0.164225      3.926009
  H      -0.011329      0.744638      2.898141
  H       0.247853     -0.988444      3.240566
  H      -1.557474     -2.596178      2.578368
  H      -2.009121     -2.391540      0.873928
  H      -4.086084     -0.048250      1.246201
  H      -5.467974     -1.120936      1.596960
  H      -4.343624     -1.501532      0.267848
  H      -4.742534     -1.201362      3.987096
  H      -3.076163     -1.622653      4.419904
  H      -3.407134     -0.107748      3.530750
  H      -6.986290     -7.348429      6.082414
  H      -6.992093     -6.324788      7.638560
  H      -9.473554     -4.080738      6.614793
  H      -7.938657     -3.304856      6.227777
  H      -8.091676     -4.242614      7.734649
  H      -8.383840     -6.680868      4.264667
  H      -9.352545     -5.206857      4.344813
  H      -7.981498     -6.441678      1.894084
  H      -7.385312     -4.894126      1.238582
  H      -9.021402     -5.006944      1.938246
  H      -8.549104     -3.095772      3.374171
  H      -7.089828     -3.009140      4.401359
  H      -6.922329     -2.973596      2.645262
  H      -3.512987     -6.813889      9.500764
  H      -1.969839     -5.770132      9.547882
  H      -4.013488     -6.648567      6.054864
  H      -3.024236     -8.093849      6.288216
  H      -4.324789     -7.717298      7.456233
  H      -0.665501     -5.503740      7.629951
  H      -0.914572     -6.594950      6.269069
  H       0.270768     -4.647366      5.079129
  H       0.124842     -3.567994      6.478730
  H      -0.586988     -3.092243      4.914370
  H      -3.446217     -3.939870      7.202710
  H      -1.854786     -3.374571      7.768019
  H      -2.619414     -2.624222      6.341738
  N      -4.973201     -3.424390      5.425585
  H      -5.401803     -2.734293      6.044022
85
Coordinates from ORCA-job orca E -5410.768266603274
  N      -4.018333     -3.277991      2.415970
  C      -4.074558     -4.009166      1.147290
  C      -3.214252     -5.261945      1.242118
  N      -3.643056     -6.028222      2.426021
  C      -4.800560     -6.903494      2.142786
  C      -5.759112     -6.792354      3.320348
  N      -6.014512     -5.380806      3.547007
  Mo     -4.323156     -4.353471      4.075117
  N      -2.510384     -4.964415      4.773185
  C      -1.696015     -5.783407      3.869626
  C      -2.552870     -6.754737      3.088838
  H      -0.947859     -6.378121      4.418555
  H      -1.118886     -5.146969      3.169118
  H      -3.010679     -7.469774      3.787669
  H      -1.944456     -7.326642      2.360482
  H      -6.676590     -7.365095      3.107652
  H      -5.308622     -7.269807      4.212346
  H      -5.307374     -6.529928      1.243117
  H      -4.464167     -7.938591      1.946895
  H      -3.720109     -3.403067      0.299735
  H      -5.118644     -4.295014      0.918196
  H      -2.167274     -4.958683      1.380778
  H      -3.276152     -5.880871      0.327079
  C      -1.320001      0.169597      0.707228
  C      -1.304824     -0.610769      1.799863
  C      -0.488031     -0.246534      3.010177
  C      -2.055014     -1.918650      1.853518
  C      -3.557707     -1.873288      2.304085
  C      -4.416954     -1.093572      1.295232
  C      -3.680457     -1.156728      3.646956
  C      -7.268016     -6.478120      6.560219
  C      -7.941706     -5.497000      5.940890
  C      -8.363137     -4.259289      6.685512
  C      -8.335359     -5.624407      4.491240
  C      -7.412184     -4.945173      3.416926
  C      -7.982556     -5.346005      2.033612
  C      -7.507229     -3.417364      3.486213
  C      -2.679635     -6.329771      8.984822
  C      -2.580330     -6.446637      7.651230
  C      -3.598021     -7.212000      6.854458
  C      -1.427732     -5.829341      6.901991
  C      -1.747008     -4.582952      6.000019
  C      -0.399392     -3.949179      5.584636
  C      -2.467551     -3.556916      6.869132
  H      -0.774790      1.115195      0.674013
  H      -1.877494     -0.113651     -0.188096
  H      -1.105533     -0.196213      3.919534
  H       0.021420      0.717933      2.881864
  H       0.275048     -1.020322      3.199146
  H      -1.551666     -2.604776      2.554371
  H      -2.019746     -2.386023      0.857343
  H      -4.085318     -0.047927      1.242731
  H      -5.468007     -1.109046      1.618442
  H      -4.364828     -1.505469      0.277894
  H      -4.719354     -1.185855      3.998492
  H      -3.054815     -1.622867      4.419684
  H      -3.378375     -0.106362      3.532579
  H      -6.976429     -7.390617      6.035889
  H      -6.970344     -6.391609      7.607698
  H      -9.456819     -4.127160      6.632286
  H      -7.920607     -3.349941      6.251415
  H      -8.070337     -4.311127      7.743373
  H      -8.387263     -6.695523      4.239105
  H      -9.352292     -5.220556      4.345352
  H      -7.977296     -6.433459      1.876107
  H      -7.389568     -4.875944      1.236035
  H      -9.024188     -5.003978      1.936311
  H      -8.555969     -3.103331      3.383088
  H      -7.105770     -3.023745      4.424030
  H      -6.922891     -2.969983      2.669382
  H      -3.509007     -6.779754      9.535080
  H      -1.938408     -5.776680      9.565885
  H      -4.084125     -6.552855      6.118296
  H      -3.114122     -8.019885      6.279756
  H      -4.370106     -7.652993      7.498919
  H      -0.668359     -5.505072      7.629803
  H      -0.947291     -6.602321      6.279214
  H       0.269369     -4.662885      5.084776
  H       0.124343     -3.568167      6.472778
  H      -0.582664     -3.106326      4.901719
  H      -3.448166     -3.916559      7.195552
  H      -1.853989     -3.360231      7.760549
  H      -2.609576     -2.613407      6.327613
  N      -4.975880     -3.423754      5.425064
  H      -5.405023     -2.722202      6.030397
85
Coordinates from ORCA-job orca E -5410.856667417363
  N      -4.009451     -3.264743      2.418479
  C      -4.069490     -3.985630      1.143143
  C      -3.214850     -5.241071      1.238557
  N      -3.649707     -6.012458      2.418247
  C      -4.804216     -6.889892      2.123483
  C      -5.762163     -6.791323      3.302530
  N      -6.025231     -5.383744      3.542415
  Mo     -4.339272     -4.350523      4.069811
  N      -2.531990     -4.963633      4.777670
  C      -1.711445     -5.772654      3.870895
  C      -2.561427     -6.743710      3.082909
  H      -0.957838     -6.363174      4.415663
  H      -1.137512     -5.129294      3.173427
  H      -3.022185     -7.460886      3.777694
  H      -1.950532     -7.311628      2.354246
  H      -6.678204     -7.366769      3.092279
  H      -5.304438     -7.270656      4.189217
  H      -5.309863     -6.511791      1.225087
  H      -4.463800     -7.921655      1.919456
  H      -3.704236     -3.376975      0.301314
  H      -5.114879     -4.258095      0.905516
  H      -2.167787     -4.939990      1.384568
  H      -3.272758     -5.854996      0.320769
  C      -1.309473      0.176667      0.721390
  C      -1.282081     -0.629520      1.795395
  C      -0.422467     -0.310732      2.989503
  C      -2.045349     -1.929181      1.836452
  C      -3.540703     -1.868274      2.298292
  C      -4.397760     -1.094613      1.295138
  C      -3.643172     -1.150263      3.632470
  C      -7.196589     -6.577198      6.497183
  C      -7.897491     -5.582865      5.930340
  C      -8.302869     -4.371343      6.724500
  C      -8.329772     -5.666707      4.488793
  C      -7.425613     -4.955697      3.421061
  C      -8.003800     -5.333546      2.034661
  C      -7.534999     -3.431421      3.529419
  C      -2.704231     -6.275475      9.019936
  C      -2.627789     -6.385648      7.684154
  C      -3.691355     -7.100494      6.898164
  C      -1.465586     -5.805087      6.920697
  C      -1.769027     -4.568007      6.000061
  C      -0.415438     -3.949661      5.574708
  C      -2.481549     -3.521919      6.850962
  H      -0.748202      1.112632      0.696722
  H      -1.895060     -0.074931     -0.165567
  H      -1.006034     -0.278994      3.921473
  H       0.096964      0.649003      2.868631
  H       0.336539     -1.098511      3.131230
  H      -1.544040     -2.627793      2.525933
  H      -2.025262     -2.389948      0.838938
  H      -4.056997     -0.052640      1.223786
  H      -5.445105     -1.094091      1.629404
  H      -4.363320     -1.521135      0.283014
  H      -4.681392     -1.146319      3.982897
  H      -3.030898     -1.632971      4.404845
  H      -3.310278     -0.109750      3.516770
  H      -6.918351     -7.469445      5.933430
  H      -6.869300     -6.525669      7.537048
  H      -9.397743     -4.240463      6.698751
  H      -7.869627     -3.446941      6.314855
  H      -7.987364     -4.460304      7.772160
  H      -8.386992     -6.729365      4.205408
  H      -9.348221     -5.257884      4.377344
  H      -7.989840     -6.417519      1.853328
  H      -7.425043     -4.839817      1.240223
  H      -9.049740     -4.999722      1.956036
  H      -8.585314     -3.125055      3.415789
  H      -7.154648     -3.055282      4.483803
  H      -6.941559     -2.961727      2.731522
  H      -3.538314     -6.704412      9.579689
  H      -1.934628     -5.752704      9.592027
  H      -4.208921     -6.399646      6.223783
  H      -3.252180     -7.881683      6.256489
  H      -4.438503     -7.563107      7.557155
  H      -0.692198     -5.485972      7.635118
  H      -1.010453     -6.599526      6.306389
  H       0.252023     -4.675802      5.091316
  H       0.106776     -3.550979      6.455197
  H      -0.594180     -3.120081      4.872617
  H      -3.465392     -3.866028      7.184786
  H      -1.867971     -3.314203      7.739459
  H      -2.615451     -2.585885      6.293417
  N      -4.993399     -3.414417      5.415836
  H      -5.426697     -2.696754      5.999653
85
Coordinates from ORCA-job orca E -5421.396893435143
  N      -4.015590     -3.229440      2.420446
  C      -4.083491     -3.933128      1.134546
  C      -3.238002     -5.193548      1.229307
  N      -3.676102     -5.974620      2.405714
  C      -4.821568     -6.863051      2.096899
  C      -5.775631     -6.787777      3.281054
  N      -6.056535     -5.388203      3.543211
  Mo     -4.380581     -4.332853      4.067273
  N      -2.571589     -4.942411      4.779313
  C      -1.742753     -5.725810      3.858273
  C      -2.579114     -6.704859      3.064664
  H      -0.969270     -6.301129      4.388676
  H      -1.185344     -5.065590      3.160046
  H      -3.032115     -7.431534      3.754306
  H      -1.964802     -7.258420      2.329283
  H      -6.688013     -7.370098      3.076491
  H      -5.301774     -7.270362      4.156306
  H      -5.329679     -6.483533      1.200302
  H      -4.469977     -7.887940      1.881519
  H      -3.705990     -3.322306      0.298031
  H      -5.131192     -4.183875      0.889032
  H      -2.189543     -4.897520      1.380732
  H      -3.295578     -5.798891      0.307623
  C      -1.230481      0.145030      0.741228
  C      -1.216961     -0.680091      1.807456
  C      -0.333378     -0.402970      2.996390
  C      -2.009368     -1.961511      1.839304
  C      -3.505160     -1.859728      2.281432
  C      -4.320073     -1.089030      1.267343
  C      -3.596474     -1.138788      3.590706
  C      -7.109724     -6.679835      6.437844
  C      -7.850686     -5.683868      5.928133
  C      -8.244105     -4.501380      6.767188
  C      -8.332959     -5.737749      4.502479
  C      -7.464420     -4.983175      3.438552
  C      -8.055372     -5.342996      2.053405
  C      -7.607558     -3.466337      3.593860
  C      -2.720627     -6.217831      9.048322
  C      -2.660273     -6.322664      7.711271
  C      -3.752276     -7.012329      6.938957
  C      -1.498034     -5.759777      6.934288
  C      -1.805941     -4.534451      5.997486
  C      -0.455410     -3.915057      5.552925
  C      -2.513963     -3.479701      6.840362
  H      -0.642633      1.064150      0.725463
  H      -1.831357     -0.075611     -0.144078
  H      -0.895637     -0.373842      3.941254
  H       0.205966      0.545345      2.876998
  H       0.412654     -1.206756      3.114719
  H      -1.536651     -2.667313      2.539650
  H      -2.001060     -2.436636      0.853655
  H      -3.949902     -0.058254      1.179715
  H      -5.368743     -1.059334      1.591339
  H      -4.283339     -1.543573      0.269197
  H      -4.638347     -1.079402      3.915180
  H      -3.023059     -1.653880      4.368347
  H      -3.204997     -0.120344      3.473590
  H      -6.849498     -7.548773      5.834477
  H      -6.744687     -6.660411      7.463187
  H      -9.340978     -4.386535      6.779224
  H      -7.832750     -3.562161      6.377334
  H      -7.894541     -4.620334      7.796906
  H      -8.379093     -6.792195      4.193510
  H      -9.358984     -5.343253      4.431753
  H      -8.022070     -6.422449      1.845314
  H      -7.503382     -4.817061      1.258954
  H      -9.110046     -5.030198      2.001227
  H      -8.665206     -3.183081      3.478933
  H      -7.245255     -3.104347      4.561263
  H      -7.019788     -2.966646      2.808214
  H      -3.548535     -6.647269      9.616797
  H      -1.935820     -5.705913      9.609557
  H      -4.308941     -6.287195      6.322725
  H      -3.349427     -7.759302      6.238715
  H      -4.468934     -7.503313      7.611666
  H      -0.714131     -5.434038      7.632927
  H      -1.058277     -6.570874      6.331380
  H       0.212606     -4.642859      5.072254
  H       0.071845     -3.499812      6.421462
  H      -0.643972     -3.094640      4.839444
  H      -3.495652     -3.817655      7.189465
  H      -1.895455     -3.257668      7.722027
  H      -2.653782     -2.550428      6.270458
  N      -5.041047     -3.392802      5.411697
  H      -5.486316     -2.664316      5.973474
85
Coordinates from ORCA-job orca E -5421.400078720611
  N      -4.009967     -3.266018      2.395529
  C      -4.075763     -3.995370      1.121001
  C      -3.228199     -5.254687      1.227525
  N      -3.659497     -6.012908      2.419200
  C      -4.813067     -6.897833      2.138120
  C      -5.758102     -6.796935      3.327552
  N      -6.028063     -5.388839      3.563100
  Mo     -4.342098     -4.340869      4.065557
  N      -2.529340     -4.946006      4.765676
  C      -1.711342     -5.751795      3.853103
  C      -2.560707     -6.734971      3.078896
  H      -0.946415     -6.330970      4.393044
  H      -1.148549     -5.107499      3.147224
  H      -3.011959     -7.449408      3.781899
  H      -1.954293     -7.303206      2.348431
  H      -6.673608     -7.376497      3.132633
  H      -5.287312     -7.268354      4.210469
  H      -5.327709     -6.528819      1.240761
  H      -4.470296     -7.928653      1.937916
  H      -3.712184     -3.401921      0.269002
  H      -5.123012     -4.260667      0.892722
  H      -2.178385     -4.959570      1.362309
  H      -3.296657     -5.875749      0.316520
  C      -1.285777      0.199073      0.764757
  C      -1.269395     -0.611078      1.837832
  C      -0.443169     -0.284971      3.053884
  C      -2.019156     -1.923002      1.853832
  C      -3.527500     -1.877027      2.267140
  C      -4.352845     -1.096002      1.254612
  C      -3.663321     -1.175148      3.593535
  C      -7.251117     -6.471902      6.592262
  C      -7.939671     -5.505378      5.969967
  C      -8.372879     -4.268893      6.706068
  C      -8.342896     -5.652326      4.525626
  C      -7.433529     -4.971258      3.439104
  C      -8.002093     -5.396314      2.064370
  C      -7.556476     -3.445281      3.500269
  C      -2.648647     -6.369265      8.975736
  C      -2.574895     -6.442434      7.637826
  C      -3.618092     -7.173055      6.840886
  C      -1.431395     -5.810189      6.887556
  C      -1.764900     -4.561715      5.993982
  C      -0.424659     -3.910727      5.572787
  C      -2.492943     -3.550281      6.873624
  H      -0.735273      1.141317      0.755518
  H      -1.845588     -0.057837     -0.137112
  H      -1.045554     -0.265482      3.974422
  H       0.061540      0.683490      2.945731
  H       0.327110     -1.058000      3.210661
  H      -1.544938     -2.616042      2.563765
  H      -1.977668     -2.389089      0.862846
  H      -4.002612     -0.057410      1.204787
  H      -5.404231     -1.104238      1.569275
  H      -4.285365     -1.525153      0.249591
  H      -4.713954     -1.170903      3.902008
  H      -3.077803     -1.684662      4.365562
  H      -3.312391     -0.140732      3.492805
  H      -6.961793     -7.385298      6.071828
  H      -6.955654     -6.382276      7.637307
  H      -9.466717     -4.146185      6.646861
  H      -7.932337     -3.360684      6.277209
  H      -8.085161     -4.318451      7.761566
  H      -8.389376     -6.724458      4.285961
  H      -9.362324     -5.257042      4.384712
  H      -7.977186     -6.484895      1.916259
  H      -7.427159     -4.921278      1.255282
  H      -9.050794     -5.075462      1.973816
  H      -8.608717     -3.154341      3.370327
  H      -7.187985     -3.034378      4.442739
  H      -6.964123     -2.996093      2.687711
  H      -3.460633     -6.846843      9.528166
  H      -1.893615     -5.834272      9.556177
  H      -4.173768     -6.474700      6.195823
  H      -3.161585     -7.913650      6.164739
  H      -4.337406     -7.684363      7.494058
  H      -0.666305     -5.483753      7.607489
  H      -0.956189     -6.582532      6.259699
  H       0.252654     -4.613838      5.069310
  H       0.096729     -3.521305      6.457580
  H      -0.620627     -3.069161      4.890154
  H      -3.468644     -3.920363      7.207894
  H      -1.877487     -3.350324      7.763213
  H      -2.649378     -2.604175      6.338292
  N      -4.993219     -3.385996      5.403128
  H      -5.429291     -2.656539      5.970353
85
Coordinates from ORCA-job orca E -5421.400814348036
  N      -4.013927     -3.276809      2.386866
  C      -4.065038     -4.017553      1.119966
  C      -3.206097     -5.270126      1.230699
  N      -3.635921     -6.019603      2.422821
  C      -4.792398     -6.898542      2.146407
  C      -5.744851     -6.787265      3.329248
  N      -6.008382     -5.374448      3.552432
  Mo     -4.321262     -4.340285      4.063055
  N      -2.515577     -4.949865      4.772188
  C      -1.693685     -5.764529      3.872075
  C      -2.545289     -6.739658      3.092604
  H      -0.944780     -6.355937      4.424872
  H      -1.117109     -5.125995      3.174129
  H      -3.006082     -7.448038      3.795947
  H      -1.935413     -7.317504      2.370614
  H      -6.659591     -7.367096      3.126953
  H      -5.285969     -7.255656      4.221466
  H      -5.303821     -6.527928      1.248108
  H      -4.453820     -7.933106      1.951847
  H      -3.704905     -3.425253      0.266406
  H      -5.109299     -4.301400      0.891772
  H      -2.158948     -4.967134      1.363788
  H      -3.270020     -5.899507      0.322730
  C      -1.344379      0.199021      0.705210
  C      -1.301590     -0.602791      1.781043
  C      -0.453123     -0.270729      2.978095
  C      -2.047437     -1.912835      1.813853
  C      -3.545009     -1.875639      2.274036
  C      -4.406724     -1.077755      1.290348
  C      -3.652073     -1.175082      3.623800
  C      -7.250002     -6.533196      6.549568
  C      -7.928069     -5.540795      5.953121
  C      -8.346954     -4.320474      6.729207
  C      -8.330123     -5.635153      4.501580
  C      -7.408855     -4.945839      3.428359
  C      -7.973471     -5.338574      2.041293
  C      -7.507130     -3.418326      3.503871
  C      -2.665349     -6.361601      8.998137
  C      -2.612506     -6.433966      7.658820
  C      -3.680093     -7.136162      6.870411
  C      -1.458798     -5.831021      6.899145
  C      -1.765657     -4.575963      6.008688
  C      -0.414113     -3.937981      5.619012
  C      -2.500794     -3.561451      6.878725
  H      -0.798907      1.144371      0.678068
  H      -1.917630     -0.068559     -0.184683
  H      -1.042081     -0.248414      3.907726
  H       0.047621      0.699632      2.862552
  H       0.320044     -1.044793      3.121125
  H      -1.555497     -2.614407      2.505355
  H      -2.030867     -2.362333      0.807789
  H      -4.056402     -0.039403      1.248325
  H      -5.449155     -1.090241      1.637402
  H      -4.367911     -1.488861      0.274193
  H      -4.695157     -1.191710      3.965490
  H      -3.037050     -1.678640      4.380227
  H      -3.321813     -0.132860      3.518648
  H      -6.953435     -7.435557      6.007998
  H      -6.950950     -6.465885      7.599483
  H      -9.438569     -4.176616      6.670160
  H      -7.891733     -3.402305      6.325157
  H      -8.064123     -4.404144      7.789563
  H      -8.400312     -6.700578      4.228747
  H      -9.343231     -5.214593      4.371939
  H      -7.957668     -6.423529      1.874480
  H      -7.385577     -4.856272      1.247688
  H      -9.017833     -5.005668      1.946944
  H      -8.553040     -3.104939      3.380989
  H      -7.127141     -3.029938      4.451611
  H      -6.908243     -2.963758      2.701058
  H      -3.488310     -6.808486      9.560031
  H      -1.889747     -5.850817      9.573102
  H      -4.218731     -6.424774      6.225909
  H      -3.235952     -7.889266      6.196854
  H      -4.407638     -7.634990      7.524782
  H      -0.686821     -5.524010      7.621718
  H      -0.997424     -6.609499      6.267479
  H       0.266059     -4.648147      5.130307
  H       0.091501     -3.557666      6.518377
  H      -0.586874     -3.094498      4.936183
  H      -3.487404     -3.924063      7.183150
  H      -1.902495     -3.377968      7.783216
  H      -2.633483     -2.610312      6.349105
  N      -4.969734     -3.374699      5.393063
  H      -5.398557     -2.623368      5.936731
85
Coordinates from ORCA-job orca E -5421.401101700201
  N      -4.026852     -3.273230      2.405930
  C      -4.080536     -4.005516      1.137210
  C      -3.217457     -5.257405      1.230891
  N      -3.642147     -6.018718      2.418971
  C      -4.798792     -6.896457      2.139907
  C      -5.752332     -6.790803      3.321395
  N      -6.010556     -5.378591      3.550533
  Mo     -4.323428     -4.348491      4.076773
  N      -2.515231     -4.961578      4.773930
  C      -1.695091     -5.768707      3.863528
  C      -2.546491     -6.741131      3.077421
  H      -0.942853     -6.361726      4.409290
  H      -1.122839     -5.121927      3.168834
  H      -3.000480     -7.461371      3.773022
  H      -1.935849     -7.307019      2.346370
  H      -6.669248     -7.364861      3.110734
  H      -5.298795     -7.268655      4.211274
  H      -5.310548     -6.520863      1.243886
  H      -4.462012     -7.930721      1.939824
  H      -3.732697     -3.401010      0.285260
  H      -5.125044     -4.295651      0.916572
  H      -2.169073     -4.955466      1.360108
  H      -3.287330     -5.878766      0.317792
  C      -1.324080      0.158601      0.697492
  C      -1.308808     -0.607084      1.800824
  C      -0.508198     -0.224701      3.015022
  C      -2.052022     -1.918194      1.860479
  C      -3.559592     -1.872273      2.291124
  C      -4.405961     -1.098887      1.269534
  C      -3.696508     -1.143645      3.627513
  C      -7.269703     -6.436144      6.584876
  C      -7.941652     -5.464056      5.949734
  C      -8.360722     -4.213771      6.675501
  C      -8.333359     -5.610001      4.500782
  C      -7.409258     -4.945640      3.418746
  C      -7.973669     -5.359279      2.037439
  C      -7.502365     -3.416717      3.470744
  C      -2.625988     -6.389904      8.992189
  C      -2.559300     -6.485598      7.654973
  C      -3.586854     -7.251250      6.873767
  C      -1.423612     -5.851880      6.892363
  C      -1.757786     -4.596073      6.010661
  C      -0.418017     -3.940454      5.611186
  C      -2.493992     -3.596653      6.896966
  H      -0.786283      1.108498      0.656438
  H      -1.866966     -0.142666     -0.200607
  H      -1.133925     -0.177159      3.919316
  H      -0.014108      0.747588      2.884822
  H       0.266245     -0.984370      3.214874
  H      -1.569931     -2.595192      2.583610
  H      -2.012853     -2.400221      0.870572
  H      -4.067870     -0.056469      1.223785
  H      -5.457860     -1.123105      1.586831
  H      -4.330239     -1.525460      0.260273
  H      -4.743564     -1.166878      3.954191
  H      -3.086016     -1.622423      4.403490
  H      -3.377337     -0.099611      3.505042
  H      -6.974816     -7.357441      6.077185
  H      -6.974944     -6.332495      7.632571
  H      -9.452102     -4.070130      6.608463
  H      -7.902226     -3.313813      6.235683
  H      -8.080286     -4.255605      7.738120
  H      -8.391559     -6.684122      4.261511
  H      -9.348559     -5.202151      4.350409
  H      -7.964653     -6.447569      1.889057
  H      -7.378787     -4.894532      1.238581
  H      -9.016077     -5.021455      1.932800
  H      -8.548782     -3.102584      3.348170
  H      -7.115940     -3.014830      4.411068
  H      -6.906784     -2.975827      2.658158
  H      -3.436261     -6.857420      9.556092
  H      -1.876875     -5.837011      9.563265
  H      -4.128833     -6.583475      6.186482
  H      -3.102907     -8.018790      6.245914
  H      -4.313752     -7.744214      7.532917
  H      -0.658659     -5.529317      7.615457
  H      -0.942976     -6.616706      6.259234
  H       0.260542     -4.638328      5.102466
  H       0.098212     -3.569609      6.508227
  H      -0.605793     -3.087876      4.943075
  H      -3.472866     -3.973863      7.208279
  H      -1.887341     -3.413822      7.796231
  H      -2.643091     -2.643222      6.375498
  N      -4.985495     -3.414073      5.421329
  H      -5.417258     -2.692100      6.001105
85
Coordinates from ORCA-job orca E -5421.401299721984
  N      -4.023351     -3.280066      2.411439
  C      -4.084315     -4.009291      1.141926
  C      -3.223445     -5.262689      1.232926
  N      -3.644726     -6.025488      2.421725
  C      -4.802069     -6.904364      2.146533
  C      -5.752819     -6.797305      3.330758
  N      -6.011840     -5.385417      3.558776
  Mo     -4.323065     -4.355826      4.079022
  N      -2.512507     -4.966390      4.772072
  C      -1.695301     -5.773295      3.858689
  C      -2.548312     -6.748414      3.079142
  H      -0.938057     -6.362579      4.400254
  H      -1.129282     -5.126575      3.158884
  H      -3.000260     -7.466060      3.779295
  H      -1.940438     -7.316507      2.347825
  H      -6.670223     -7.372051      3.124274
  H      -5.296237     -7.272506      4.220119
  H      -5.316501     -6.530549      1.251382
  H      -4.465212     -7.938340      1.946570
  H      -3.735683     -3.403897      0.291381
  H      -5.129785     -4.294871      0.920987
  H      -2.174535     -4.961020      1.360948
  H      -3.294728     -5.882612      0.319607
  C      -1.322837      0.175498      0.735592
  C      -1.306284     -0.612145      1.822553
  C      -0.491563     -0.258919      3.036701
  C      -2.053899     -1.921790      1.862296
  C      -3.560617     -1.878342      2.298053
  C      -4.414800     -1.101712      1.284739
  C      -3.691971     -1.161014      3.638428
  C      -7.292525     -6.448540      6.577715
  C      -7.957449     -5.473110      5.940933
  C      -8.381451     -4.225586      6.667455
  C      -8.341138     -5.616406      4.490263
  C      -7.410109     -4.951758      3.415345
  C      -7.967351     -5.371043      2.032728
  C      -7.509163     -3.423130      3.464825
  C      -2.601997     -6.382441      8.994010
  C      -2.549371     -6.459848      7.654937
  C      -3.604517     -7.185297      6.870988
  C      -1.411293     -5.836130      6.889219
  C      -1.745914     -4.586655      5.998842
  C      -0.407094     -3.937268      5.580514
  C      -2.473691     -3.575171      6.878954
  H      -0.779747      1.122638      0.710489
  H      -1.876020     -0.102982     -0.163711
  H      -1.106727     -0.228769      3.948464
  H       0.006898      0.712921      2.922094
  H       0.280643     -1.026559      3.211363
  H      -1.567142     -2.610445      2.571434
  H      -2.014588     -2.388071      0.866901
  H      -4.079469     -0.057714      1.235448
  H      -5.465074     -1.122959      1.607619
  H      -4.351636     -1.522749      0.272447
  H      -4.737248     -1.179803      3.969210
  H      -3.082372     -1.644121      4.412814
  H      -3.370719     -0.117060      3.524730
  H      -7.000429     -7.369660      6.069807
  H      -7.007865     -6.350945      7.627542
  H      -9.471652     -4.079506      6.588818
  H      -7.916510     -3.325546      6.237861
  H      -8.112858     -4.273146      7.731427
  H      -8.398274     -6.689711      4.249427
  H      -9.354597     -5.208327      4.333856
  H      -7.952303     -6.460049      1.886300
  H      -7.372540     -4.904256      1.234614
  H      -9.011003     -5.038613      1.924496
  H      -8.555179     -3.112942      3.327235
  H      -7.137823     -3.017633      4.409727
  H      -6.903540     -2.982911      2.659618
  H      -3.415818     -6.842737      9.558814
  H      -1.836061     -5.853939      9.565749
  H      -4.152125     -6.488074      6.217483
  H      -3.147677     -7.938872      6.207927
  H      -4.325222     -7.687465      7.529910
  H      -0.641569     -5.514162      7.606948
  H      -0.939447     -6.607471      6.257907
  H       0.268423     -4.642703      5.077765
  H       0.114576     -3.552745      6.468028
  H      -0.599946     -3.094421      4.899957
  H      -3.452644     -3.944619      7.199852
  H      -1.862000     -3.384953      7.772998
  H      -2.621980     -2.626375      6.347801
  N      -4.973346     -3.412279      5.423016
  H      -5.396368     -2.665467      5.977547
85
Coordinates from ORCA-job orca E -5421.401391172051
  N      -4.019726     -3.278168      2.402285
  C      -4.078107     -4.015093      1.136663
  C      -3.222951     -5.271616      1.236371
  N      -3.651327     -6.029008      2.426677
  C      -4.809894     -6.906238      2.151816
  C      -5.762532     -6.789168      3.333461
  N      -6.019067     -5.376150      3.554357
  Mo     -4.329576     -4.344646      4.071803
  N      -2.521816     -4.954534      4.772399
  C      -1.705311     -5.771686      3.866995
  C      -2.558484     -6.750850      3.091411
  H      -0.950659     -6.357943      4.415172
  H      -1.135771     -5.131968      3.163341
  H      -3.013153     -7.464574      3.793672
  H      -1.949284     -7.323329      2.364819
  H      -6.681101     -7.363060      3.130754
  H      -5.307116     -7.260042      4.225737
  H      -5.320557     -6.537138      1.252504
  H      -4.475161     -7.942234      1.959205
  H      -3.724330     -3.415347      0.284858
  H      -5.123211     -4.298342      0.911752
  H      -2.173390     -4.973770      1.367751
  H      -3.292989     -5.894640      0.325344
  C      -1.294213      0.163153      0.725554
  C      -1.286098     -0.620523      1.815867
  C      -0.480969     -0.259695      3.034693
  C      -2.038789     -1.928712      1.860954
  C      -3.549936     -1.877980      2.285232
  C      -4.393167     -1.095150      1.264369
  C      -3.688862     -1.159680      3.623153
  C      -7.278112     -6.491034      6.556599
  C      -7.946537     -5.502953      5.944189
  C      -8.365553     -4.270496      6.697597
  C      -8.342481     -5.621678      4.494915
  C      -7.418401     -4.942395      3.422486
  C      -7.986833     -5.344070      2.038931
  C      -7.515819     -3.414797      3.492151
  C      -2.623852     -6.369489      8.984285
  C      -2.554113     -6.453118      7.646455
  C      -3.590598     -7.197756      6.854828
  C      -1.416287     -5.818240      6.889512
  C      -1.757087     -4.570381      5.999532
  C      -0.420818     -3.913744      5.581198
  C      -2.489700     -3.563312      6.880952
  H      -0.750071      1.109604      0.700249
  H      -1.843766     -0.117290     -0.175497
  H      -1.103740     -0.226410      3.941119
  H       0.017511      0.711971      2.918864
  H       0.290629     -1.025440      3.219891
  H      -1.554492     -2.612023      2.576860
  H      -1.990620     -2.403937      0.870920
  H      -4.058667     -0.050061      1.222067
  H      -5.447685     -1.115306      1.573497
  H      -4.321411     -1.508281      0.250132
  H      -4.735968     -1.174133      3.948714
  H      -3.086145     -1.640647      4.403896
  H      -3.365291     -0.116107      3.512288
  H      -6.994349     -7.402183      6.027365
  H      -6.984241     -6.415435      7.605026
  H      -9.455948     -4.122526      6.627595
  H      -7.902243     -3.363136      6.285448
  H      -8.091488     -4.340531      7.757822
  H      -8.401102     -6.690827      4.238908
  H      -9.357065     -5.212013      4.352570
  H      -7.974457     -6.431071      1.878116
  H      -7.398431     -4.867189      1.241663
  H      -9.031004     -5.009338      1.943794
  H      -8.563254     -3.102721      3.369753
  H      -7.133950     -3.020419      4.437417
  H      -6.918119     -2.966381      2.685215
  H      -3.437104     -6.839381      9.542012
  H      -1.871761     -5.827389      9.561677
  H      -4.136509     -6.512601      6.187470
  H      -3.118160     -7.953087      6.205289
  H      -4.314644     -7.700275      7.509938
  H      -0.653338     -5.490243      7.611682
  H      -0.934632     -6.585007      6.259875
  H       0.258140     -4.614938      5.077022
  H       0.099645     -3.527448      6.468699
  H      -0.617929     -3.070972      4.901522
  H      -3.466945     -3.937941      7.202591
  H      -1.878618     -3.369888      7.774898
  H      -2.643364     -2.615184      6.349994
  N      -4.985623     -3.396664      5.409669
  H      -5.406756     -2.647672      5.962728
85
Coordinates from ORCA-job orca E -5421.401485095617
  N      -4.018238     -3.279018      2.407562
  C      -4.077105     -4.013597      1.140838
  C      -3.221336     -5.269690      1.236852
  N      -3.648440     -6.030527      2.424733
  C      -4.806885     -6.907191      2.149255
  C      -5.759321     -6.791139      3.331816
  N      -6.017301     -5.378564      3.554825
  Mo     -4.327925     -4.347472      4.072226
  N      -2.519757     -4.957750      4.771138
  C      -1.703030     -5.773892      3.865384
  C      -2.555861     -6.752178      3.089316
  H      -0.948159     -6.360392      4.413010
  H      -1.134050     -5.133656      3.162118
  H      -3.010577     -7.465877      3.791426
  H      -1.946122     -7.324538      2.362978
  H      -6.677533     -7.365666      3.129024
  H      -5.303039     -7.262403      4.223532
  H      -5.318099     -6.537252      1.250487
  H      -4.471946     -7.942950      1.955538
  H      -3.722660     -3.411274      0.291184
  H      -5.121823     -4.296839      0.913468
  H      -2.172304     -4.970920      1.369389
  H      -3.290488     -5.890275      0.324012
  C      -1.303226      0.162842      0.718017
  C      -1.291740     -0.615270      1.811358
  C      -0.484844     -0.245309      3.026555
  C      -2.042125     -1.925306      1.865523
  C      -3.552337     -1.875887      2.292795
  C      -4.397083     -1.093502      1.270833
  C      -3.691966     -1.155479      3.631062
  C      -7.278371     -6.483628      6.563832
  C      -7.941577     -5.495146      5.946265
  C      -8.348578     -4.253947      6.691661
  C      -8.339799     -5.620541      4.497946
  C      -7.416373     -4.945985      3.421094
  C      -7.983843     -5.356026      2.039616
  C      -7.515429     -3.418200      3.482543
  C      -2.628827     -6.379299      8.983939
  C      -2.561192     -6.459119      7.645796
  C      -3.600591     -7.200023      6.853984
  C      -1.421212     -5.826438      6.890004
  C      -1.757950     -4.577205      6.000708
  C      -0.419974     -3.920833      5.587735
  C      -2.493108     -3.571782      6.881965
  H      -0.760622      1.109948      0.686785
  H      -1.854676     -0.123054     -0.180219
  H      -1.106408     -0.209856      3.933666
  H       0.010875      0.727082      2.905327
  H       0.288999     -1.008389      3.213831
  H      -1.550918     -2.603742      2.581401
  H      -1.992005     -2.404408      0.876711
  H      -4.065277     -0.047536      1.226583
  H      -5.452424     -1.111814      1.578360
  H      -4.327979     -1.503808      0.255055
  H      -4.738279     -1.171461      3.960588
  H      -3.086926     -1.629112      4.414611
  H      -3.374181     -0.109777      3.519592
  H      -7.001464     -7.400004      6.039382
  H      -6.980731     -6.402690      7.611107
  H      -9.437405     -4.095946      6.620469
  H      -7.876310     -3.353843      6.273274
  H      -8.074890     -4.319454      7.752580
  H      -8.399428     -6.690929      4.247316
  H      -9.354511     -5.211245      4.354746
  H      -7.966061     -6.443622      1.883921
  H      -7.398466     -4.880037      1.239641
  H      -9.029541     -5.026723      1.944095
  H      -8.563409     -3.108153      3.361896
  H      -7.131366     -3.018264      4.424284
  H      -6.920385     -2.973684      2.671426
  H      -3.442231     -6.849095      9.541436
  H      -1.874497     -5.840986      9.562032
  H      -4.143058     -6.513878      6.185252
  H      -3.131199     -7.958290      6.205498
  H      -4.326859     -7.698807      7.509704
  H      -0.658566     -5.500749      7.613671
  H      -0.940273     -6.593952      6.260635
  H       0.259980     -4.621911      5.084763
  H       0.097920     -3.536078      6.477617
  H      -0.614739     -3.077498      4.908661
  H      -3.473444     -3.944900      7.196309
  H      -1.886620     -3.383437      7.780076
  H      -2.641445     -2.621444      6.353665
  N      -4.977844     -3.399569      5.413218
  H      -5.387895     -2.631858      5.949051
85
Coordinates from ORCA-job orca E -5421.401543909899
  N      -4.014812     -3.279399      2.412989
  C      -4.075673     -4.012696      1.145165
  C      -3.222042     -5.270050      1.237745
  N      -3.650314     -6.032957      2.423542
  C      -4.809818     -6.906879      2.146554
  C      -5.761628     -6.791229      3.329651
  N      -6.018602     -5.378803      3.555999
  Mo     -4.328736     -4.348074      4.072686
  N      -2.521402     -4.961847      4.771265
  C      -1.705651     -5.777754      3.864935
  C      -2.558897     -6.755341      3.088301
  H      -0.949984     -6.364019      4.411980
  H      -1.137044     -5.137421      3.161488
  H      -3.014782     -7.468772      3.789785
  H      -1.948785     -7.327862      2.362157
  H      -6.680578     -7.364478      3.126708
  H      -5.304893     -7.264919      4.219986
  H      -5.320152     -6.534679      1.248126
  H      -4.476803     -7.943103      1.951380
  H      -3.720272     -3.408938      0.296526
  H      -5.120984     -4.293904      0.916961
  H      -2.172710     -4.973038      1.371141
  H      -3.292169     -5.888309      0.323087
  C      -1.300669      0.159686      0.715549
  C      -1.292897     -0.612451      1.812562
  C      -0.491583     -0.234232      3.028988
  C      -2.042213     -1.923573      1.872841
  C      -3.552139     -1.874163      2.298060
  C      -4.396155     -1.097275      1.270376
  C      -3.696397     -1.148396      3.634885
  C      -7.291337     -6.491782      6.564385
  C      -7.947843     -5.498838      5.946324
  C      -8.348052     -4.255437      6.691953
  C      -8.343358     -5.621159      4.496586
  C      -7.416810     -4.945296      3.421802
  C      -7.980619     -5.352472      2.038307
  C      -7.514341     -3.417458      3.484604
  C      -2.636213     -6.365426      8.984182
  C      -2.560134     -6.457945      7.647301
  C      -3.589961     -7.214063      6.857522
  C      -1.419535     -5.826360      6.891495
  C      -1.755866     -4.579999      5.997960
  C      -0.417311     -3.930108      5.578875
  C      -2.484098     -3.569140      6.878420
  H      -0.757928      1.106700      0.681073
  H      -1.847868     -0.131927     -0.183416
  H      -1.118106     -0.195763      3.932722
  H       0.002863      0.738467      2.904813
  H       0.282700     -0.995085      3.224064
  H      -1.547114     -2.596594      2.591352
  H      -1.987385     -2.408283      0.885960
  H      -4.070224     -0.049760      1.224989
  H      -5.453657     -1.117841      1.571911
  H      -4.322743     -1.506893      0.253975
  H      -4.743108     -1.165364      3.964869
  H      -3.090811     -1.613794      4.423413
  H      -3.383715     -0.100854      3.521757
  H      -7.017520     -7.408402      6.037897
  H      -6.993753     -6.413604      7.612361
  H      -9.435148     -4.087986      6.615235
  H      -7.864895     -3.358422      6.278022
  H      -8.080232     -4.325598      7.754801
  H      -8.403685     -6.691423      4.244364
  H      -9.357722     -5.210681      4.352083
  H      -7.961945     -6.439542      1.880677
  H      -7.393604     -4.874981      1.240606
  H      -9.026238     -5.023201      1.941192
  H      -8.562110     -3.106565      3.365525
  H      -7.129068     -3.018688      4.426176
  H      -6.919727     -2.972751      2.673151
  H      -3.450586     -6.833695      9.541427
  H      -1.888552     -5.816501      9.561044
  H      -4.124621     -6.540607      6.170065
  H      -3.113138     -7.983990      6.228075
  H      -4.323115     -7.701000      7.514435
  H      -0.658691     -5.496929      7.615462
  H      -0.936321     -6.595872      6.266294
  H       0.257319     -4.635219      5.074373
  H       0.105876     -3.545741      6.466002
  H      -0.611468     -3.087735      4.899008
  H      -3.465055     -3.936592      7.196442
  H      -1.874094     -3.381084      7.774297
  H      -2.629582     -2.619746      6.347959
  N      -4.975793     -3.400954      5.415983
  H      -5.371875     -2.617258      5.939782
85
Coordinates from ORCA-job orca E -5421.401591169913
  N      -4.007853     -3.279179      2.412523
  C      -4.068467     -4.014141      1.144624
  C      -3.218413     -5.273365      1.239900
  N      -3.651178     -6.034671      2.424847
  C      -4.812654     -6.905024      2.146956
  C      -5.762880     -6.788507      3.331109
  N      -6.019219     -5.375901      3.559288
  Mo     -4.328873     -4.343494      4.070278
  N      -2.523433     -4.960857      4.772737
  C      -1.708900     -5.781246      3.869906
  C      -2.563380     -6.758136      3.093634
  H      -0.955830     -6.368375      4.419764
  H      -1.136410     -5.144892      3.165807
  H      -3.023500     -7.467919      3.796103
  H      -1.953240     -7.334587      2.370481
  H      -6.682651     -7.361120      3.130246
  H      -5.304500     -7.263004      4.220161
  H      -5.321786     -6.530753      1.248709
  H      -4.482459     -7.942140      1.951040
  H      -3.709096     -3.412442      0.295950
  H      -5.114236     -4.291732      0.914448
  H      -2.168787     -4.978509      1.375574
  H      -3.287813     -5.891557      0.324972
  C      -1.298072      0.162887      0.708222
  C      -1.292686     -0.604755      1.808390
  C      -0.499001     -0.218358      3.027311
  C      -2.038709     -1.918228      1.872019
  C      -3.549257     -1.872239      2.293527
  C      -4.393286     -1.103081      1.260013
  C      -3.699846     -1.141202      3.627542
  C      -7.284344     -6.496952      6.568280
  C      -7.939401     -5.501023      5.953355
  C      -8.328268     -4.254767      6.700166
  C      -8.341034     -5.621324      4.505299
  C      -7.417953     -4.943438      3.428578
  C      -7.983710     -5.349884      2.045865
  C      -7.517728     -3.415786      3.493847
  C      -2.670426     -6.364692      8.972412
  C      -2.570842     -6.467295      7.637769
  C      -3.578120     -7.242874      6.838189
  C      -1.426059     -5.828213      6.894766
  C      -1.759383     -4.580846      6.000803
  C      -0.418842     -3.932649      5.585742
  C      -2.487387     -3.569356      6.880684
  H      -0.757826      1.111294      0.672026
  H      -1.840211     -0.134396     -0.191936
  H      -1.130766     -0.178206      3.927443
  H      -0.007004      0.755327      2.901092
  H       0.276761     -0.975777      3.230195
  H      -1.540706     -2.586387      2.593163
  H      -1.978860     -2.406552      0.886849
  H      -4.072748     -0.054062      1.211677
  H      -5.452265     -1.126164      1.557075
  H      -4.315387     -1.515095      0.244592
  H      -4.747261     -1.161012      3.955824
  H      -3.093757     -1.599007      4.420245
  H      -3.392822     -0.092105      3.511987
  H      -7.016375     -7.413870      6.039084
  H      -6.981132     -6.420773      7.614831
  H      -9.413867     -4.077509      6.624078
  H      -7.836206     -3.362073      6.287095
  H      -8.060311     -4.328416      7.762858
  H      -8.402930     -6.691216      4.251848
  H      -9.355672     -5.209682      4.365321
  H      -7.963441     -6.436768      1.887296
  H      -7.399137     -4.870972      1.247348
  H      -9.030180     -5.021994      1.951343
  H      -8.566730     -3.106686      3.380317
  H      -7.129019     -3.017566      4.434320
  H      -6.927970     -2.968832      2.679958
  H      -3.489019     -6.836900      9.520051
  H      -1.938699     -5.801992      9.556399
  H      -4.095905     -6.585200      6.123230
  H      -3.084017     -8.024334      6.236585
  H      -4.326581     -7.717861      7.486394
  H      -0.673815     -5.496423      7.626599
  H      -0.933342     -6.594285      6.272735
  H       0.255473     -4.637915      5.081146
  H       0.103232     -3.550721      6.474635
  H      -0.610424     -3.088802      4.907077
  H      -3.469642     -3.934304      7.197145
  H      -1.878473     -3.382974      7.777703
  H      -2.629891     -2.619121      6.350898
  N      -4.971327     -3.390569      5.412787
  H      -5.348538     -2.586591      5.920208
85
Coordinates from ORCA-job orca E -5421.401645101088
  N      -3.997192     -3.278940      2.412906
  C      -4.055609     -4.013583      1.143038
  C      -3.211782     -5.276511      1.241417
  N      -3.653527     -6.036622      2.423299
  C      -4.818355     -6.899917      2.140448
  C      -5.767729     -6.785419      3.325156
  N      -6.022759     -5.372962      3.560495
  Mo     -4.331898     -4.339857      4.066382
  N      -2.529386     -4.963966      4.775061
  C      -1.717123     -5.790707      3.876707
  C      -2.573505     -6.764388      3.099067
  H      -0.968680     -6.380598      4.430007
  H      -1.137951     -5.160012      3.172750
  H      -3.042243     -7.468338      3.801704
  H      -1.963394     -7.347069      2.380794
  H      -6.688700     -7.355698      3.123762
  H      -5.308815     -7.264651      4.211244
  H      -5.324278     -6.519031      1.243220
  H      -4.493431     -7.938123      1.940528
  H      -3.688651     -3.414156      0.295974
  H      -5.102105     -4.284138      0.908450
  H      -2.161491     -4.986178      1.381693
  H      -3.279974     -5.892972      0.325102
  C      -1.303548      0.175921      0.705332
  C      -1.290856     -0.596402      1.802192
  C      -0.491806     -0.214584      3.018955
  C      -2.034318     -1.911681      1.863962
  C      -3.541959     -1.869766      2.291719
  C      -4.392135     -1.103389      1.262295
  C      -3.689346     -1.139515      3.626869
  C      -7.287573     -6.533148      6.558950
  C      -7.935887     -5.525999      5.954946
  C      -8.310079     -4.282850      6.714488
  C      -8.343125     -5.629740      4.507091
  C      -7.422428     -4.941629      3.434850
  C      -7.986970     -5.337953      2.049031
  C      -7.526349     -3.414615      3.512520
  C      -2.713796     -6.326884      8.970820
  C      -2.586848     -6.457143      7.640851
  C      -3.568149     -7.262872      6.839448
  C      -1.435998     -5.820587      6.905016
  C      -1.762767     -4.578815      5.999801
  C      -0.418083     -3.942379      5.580546
  C      -2.483204     -3.554563      6.871181
  H      -0.764704      1.125278      0.670363
  H      -1.849963     -0.118411     -0.193163
  H      -1.119641     -0.178292      3.922005
  H      -0.001188      0.759983      2.893780
  H       0.285279     -0.972179      3.215687
  H      -1.530283     -2.581041      2.579779
  H      -1.978224     -2.396116      0.876502
  H      -4.075434     -0.053159      1.214429
  H      -5.450199     -1.130206      1.562690
  H      -4.316022     -1.514186      0.246218
  H      -4.735988     -1.160455      3.957588
  H      -3.079709     -1.597226      4.417014
  H      -3.384598     -0.089640      3.511927
  H      -7.028141     -7.446691      6.019662
  H      -6.981387     -6.469884      7.605465
  H      -9.392498     -4.088070      6.635869
  H      -7.800663     -3.393827      6.314678
  H      -8.047636     -4.373260      7.777413
  H      -8.408592     -6.696743      4.242377
  H      -9.357281     -5.213978      4.375539
  H      -7.964640     -6.423553      1.882212
  H      -7.402517     -4.852325      1.254630
  H      -9.034028     -5.010901      1.956262
  H      -8.576802     -3.108065      3.405335
  H      -7.135559     -3.022872      4.454827
  H      -6.941911     -2.958777      2.699602
  H      -3.538671     -6.794808      9.512584
  H      -1.999107     -5.743661      9.555836
  H      -4.055802     -6.633032      6.079703
  H      -3.056164     -8.069380      6.287255
  H      -4.341242     -7.708989      7.478840
  H      -0.691564     -5.481693      7.641509
  H      -0.935560     -6.589943      6.293244
  H       0.250663     -4.654883      5.078937
  H       0.107507     -3.559413      6.466859
  H      -0.604484     -3.100661      4.897752
  H      -3.467430     -3.908592      7.193281
  H      -1.871257     -3.363750      7.765241
  H      -2.619540     -2.608120      6.332885
  N      -4.964550     -3.378403      5.409885
  H      -5.303368     -2.539762      5.888793
85
Coordinates from ORCA-job orca E -5421.401698078766
  N      -3.988691     -3.280169      2.411357
  C      -4.044577     -4.016404      1.141369
  C      -3.203505     -5.280826      1.244616
  N      -3.651017     -6.038009      2.425763
  C      -4.818121     -6.897365      2.140554
  C      -5.767149     -6.783981      3.325216
  N      -6.020781     -5.371499      3.563843
  Mo     -4.330150     -4.338726      4.065367
  N      -2.530317     -4.966927      4.780459
  C      -1.718915     -5.798086      3.885687
  C      -2.576594     -6.769334      3.106604
  H      -0.975054     -6.391131      4.442062
  H      -1.133945     -5.171444      3.182825
  H      -3.051298     -7.469211      3.809371
  H      -1.966954     -7.356688      2.391812
  H      -6.688850     -7.352778      3.123186
  H      -5.308951     -7.265066      4.210549
  H      -5.322426     -6.512162      1.244351
  H      -4.496415     -7.936092      1.937709
  H      -3.673078     -3.419488      0.294756
  H      -5.091241     -4.283876      0.904349
  H      -2.153120     -4.992082      1.387826
  H      -3.269673     -5.898096      0.328733
  C      -1.323261      0.194745      0.702772
  C      -1.298415     -0.584430      1.794845
  C      -0.489759     -0.208999      3.007006
  C      -2.034332     -1.903137      1.852011
  C      -3.540458     -1.869324      2.285446
  C      -4.399396     -1.110604      1.259266
  C      -3.685297     -1.137397      3.618954
  C      -7.293132     -6.555717      6.548510
  C      -7.934507     -5.539911      5.951545
  C      -8.299077     -4.299585      6.720554
  C      -8.343571     -5.629877      4.503251
  C      -7.420300     -4.938579      3.435941
  C      -7.981743     -5.329093      2.047132
  C      -7.523924     -3.411750      3.519754
  C      -2.716016     -6.327736      8.978467
  C      -2.595155     -6.454393      7.647519
  C      -3.587691     -7.245997      6.845999
  C      -1.441956     -5.825437      6.908962
  C      -1.763064     -4.581387      6.004514
  C      -0.414985     -3.950966      5.585695
  C      -2.478496     -3.552909      6.874962
  H      -0.789175      1.146798      0.669755
  H      -1.875838     -0.096028     -0.193088
  H      -1.108336     -0.181099      3.916636
  H      -0.003598      0.768071      2.884009
  H       0.291970     -0.965117      3.190525
  H      -1.526474     -2.573927      2.563813
  H      -1.980949     -2.381942      0.862104
  H      -4.085077     -0.059816      1.204847
  H      -5.454820     -1.139638      1.567859
  H      -4.328117     -1.527463      0.245404
  H      -4.731919     -1.156233      3.948761
  H      -3.075508     -1.597072      4.407705
  H      -3.377886     -0.088789      3.501490
  H      -7.039704     -7.467617      6.003840
  H      -6.988257     -6.501913      7.595783
  H      -9.378419     -4.090475      6.636748
  H      -7.775062     -3.413731      6.332798
  H      -8.044623     -4.403212      7.784169
  H      -8.416212     -6.694217      4.229826
  H      -9.355029     -5.206546      4.376201
  H      -7.960797     -6.414287      1.876535
  H      -7.393944     -4.841685      1.256168
  H      -9.027913     -4.999850      1.952389
  H      -8.573501     -3.104225      3.405902
  H      -7.140126     -3.024300      4.466956
  H      -6.933990     -2.952124      2.713009
  H      -3.544012     -6.788583      9.521536
  H      -1.992714     -5.754731      9.562895
  H      -4.075407     -6.604758      6.095659
  H      -3.085358     -8.050998      6.282803
  H      -4.360651     -7.692069      7.485414
  H      -0.692353     -5.492629      7.642866
  H      -0.949570     -6.597058      6.293539
  H       0.251872     -4.666484      5.085987
  H       0.110691     -3.568610      6.472070
  H      -0.597573     -3.109216      4.901478
  H      -3.463260     -3.902336      7.200066
  H      -1.864220     -3.362309      7.767387
  H      -2.611852     -2.606746      6.335443
  N      -4.958348     -3.370838      5.408012
  H      -5.275284     -2.516385      5.874589
85
Coordinates from ORCA-job orca E -5421.401695481908
  N      -3.982481     -3.280382      2.404495
  C      -4.030402     -4.020250      1.135553
  C      -3.194460     -5.287247      1.244517
  N      -3.653279     -6.040913      2.424042
  C      -4.823943     -6.893270      2.134441
  C      -5.771603     -6.782123      3.318796
  N      -6.017765     -5.370409      3.562659
  Mo     -4.328134     -4.337092      4.061502
  N      -2.532910     -4.970176      4.784826
  C      -1.724454     -5.808366      3.892348
  C      -2.585975     -6.778067      3.110514
  H      -0.986420     -6.405898      4.451671
  H      -1.132757     -5.186921      3.190313
  H      -3.067090     -7.475076      3.811722
  H      -1.976856     -7.369350      2.398683
  H      -6.695849     -7.345489      3.113562
  H      -5.317228     -7.269185      4.202786
  H      -5.325403     -6.500443      1.239993
  H      -4.508632     -7.933028      1.926338
  H      -3.654858     -3.425235      0.289897
  H      -5.076414     -4.287488      0.895411
  H      -2.143254     -5.003737      1.392376
  H      -3.259021     -5.904706      0.328722
  C      -1.338517      0.215174      0.707689
  C      -1.301269     -0.574611      1.792882
  C      -0.486531     -0.208016      3.003181
  C      -2.030485     -1.896294      1.841577
  C      -3.537733     -1.869449      2.276404
  C      -4.402535     -1.111885      1.254006
  C      -3.682185     -1.140838      3.610644
  C      -7.287092     -6.583742      6.537401
  C      -7.920358     -5.556050      5.952650
  C      -8.268097     -4.319478      6.735253
  C      -8.338803     -5.628751      4.506017
  C      -7.417858     -4.934445      3.439935
  C      -7.983026     -5.317347      2.050342
  C      -7.518713     -3.407703      3.530378
  C      -2.746673     -6.299814      8.982258
  C      -2.610447     -6.442708      7.654455
  C      -3.592238     -7.244372      6.849499
  C      -1.451027     -5.820798      6.919805
  C      -1.764107     -4.580348      6.006764
  C      -0.411475     -3.959824      5.585723
  C      -2.475671     -3.541945      6.868198
  H      -0.810788      1.170935      0.680586
  H      -1.895773     -0.069552     -0.187147
  H      -1.097995     -0.193389      3.917951
  H      -0.007681      0.773604      2.887169
  H       0.301689     -0.960679      3.172738
  H      -1.524121     -2.569793      2.551732
  H      -1.978577     -2.369573      0.849749
  H      -4.091058     -0.059899      1.203964
  H      -5.455954     -1.149910      1.566871
  H      -4.327805     -1.528571      0.240876
  H      -4.730142     -1.157740      3.934952
  H      -3.075119     -1.609795      4.395792
  H      -3.367638     -0.094636      3.494197
  H      -7.045998     -7.493969      5.985052
  H      -6.978650     -6.542337      7.583935
  H      -9.342665     -4.088915      6.647780
  H      -7.723785     -3.439992      6.362423
  H      -8.021964     -4.441236      7.798511
  H      -8.421423     -6.689726      4.223068
  H      -9.347714     -5.196804      4.389916
  H      -7.969237     -6.402238      1.875742
  H      -7.391851     -4.830624      1.261110
  H      -9.027127     -4.981385      1.956807
  H      -8.567828     -3.098367      3.414985
  H      -7.136097     -3.024464      4.479909
  H      -6.927728     -2.944887      2.726077
  H      -3.581035     -6.754001      9.521274
  H      -2.029738     -5.720300      9.568019
  H      -4.070816     -6.609544      6.087754
  H      -3.080542     -8.053496      6.301071
  H      -4.372856     -7.686081      7.482496
  H      -0.704093     -5.486158      7.655566
  H      -0.957550     -6.595568      6.309727
  H       0.252389     -4.681542      5.090936
  H       0.115201     -3.575408      6.470546
  H      -0.587845     -3.120336      4.896595
  H      -3.460517     -3.886200      7.198978
  H      -1.859268     -3.343529      7.757422
  H      -2.607060     -2.600682      6.319653
  N      -4.975876     -3.373792      5.400023
  H      -5.290043     -2.523442      5.876326
85
Coordinates from ORCA-job orca E -5421.401749418700
  N      -3.980443     -3.283056      2.400354
  C      -4.028345     -4.021581      1.131643
  C      -3.192545     -5.289192      1.243097
  N      -3.651771     -6.041187      2.422670
  C      -4.823338     -6.893200      2.133156
  C      -5.773829     -6.779476      3.316083
  N      -6.021990     -5.366325      3.559783
  Mo     -4.332128     -4.337392      4.058316
  N      -2.537251     -4.971185      4.783799
  C      -1.727485     -5.810077      3.894095
  C      -2.587438     -6.778414      3.113363
  H      -0.990887     -6.407874      4.454703
  H      -1.134639     -5.189759      3.192472
  H      -3.071167     -7.472676      3.815451
  H      -1.977573     -7.372604      2.404722
  H      -6.697600     -7.342835      3.109352
  H      -5.321515     -7.265506      4.201516
  H      -5.324548     -6.500667      1.238426
  H      -4.508432     -7.933194      1.925885
  H      -3.650444     -3.426906      0.286914
  H      -5.074290     -4.287269      0.889064
  H      -2.141498     -5.005453      1.391965
  H      -3.256177     -5.907259      0.327862
  C      -1.337729      0.216511      0.713213
  C      -1.299693     -0.577292      1.794938
  C      -0.483607     -0.214805      3.005572
  C      -2.028669     -1.899426      1.839246
  C      -3.536583     -1.871930      2.272316
  C      -4.401451     -1.115352      1.248947
  C      -3.680942     -1.143426      3.605916
  C      -7.303853     -6.617634      6.521091
  C      -7.921610     -5.575699      5.945373
  C      -8.249818     -4.340804      6.738682
  C      -8.343286     -5.631219      4.498796
  C      -7.422566     -4.929980      3.437877
  C      -7.986635     -5.305032      2.045558
  C      -7.525159     -3.403849      3.536835
  C      -2.718000     -6.301492      8.999143
  C      -2.606332     -6.432099      7.667892
  C      -3.607197     -7.219378      6.871661
  C      -1.452223     -5.814307      6.921373
  C      -1.770070     -4.577362      6.005362
  C      -0.420278     -3.951849      5.581964
  C      -2.486899     -3.540021      6.863730
  H      -0.810328      1.172552      0.689831
  H      -1.895707     -0.064594     -0.182327
  H      -1.093230     -0.206528      3.921559
  H      -0.007396      0.768595      2.894335
  H       0.306384     -0.966642      3.169129
  H      -1.524270     -2.574131      2.549296
  H      -1.974764     -2.370709      0.847031
  H      -4.087985     -0.064165      1.195001
  H      -5.454270     -1.150565      1.563529
  H      -4.329213     -1.535367      0.237211
  H      -4.729668     -1.154835      3.927630
  H      -3.077754     -1.615174      4.392311
  H      -3.361302     -0.098862      3.489316
  H      -7.076596     -7.527402      5.962294
  H      -6.995863     -6.589111      7.568082
  H      -9.318617     -4.086974      6.646913
  H      -7.684287     -3.469895      6.378281
  H      -8.012714     -4.478301      7.801793
  H      -8.431112     -6.688983      4.205670
  H      -9.350922     -5.194805      4.389554
  H      -7.969313     -6.388503      1.863149
  H      -7.396814     -4.810448      1.260107
  H      -9.031666     -4.972034      1.954074
  H      -8.574463     -3.095402      3.422247
  H      -7.143374     -3.025217      4.488405
  H      -6.934668     -2.936052      2.735139
  H      -3.545499     -6.756163      9.548209
  H      -1.986833     -5.733341      9.578479
  H      -4.102282     -6.572481      6.130996
  H      -3.108047     -8.019473      6.299305
  H      -4.374088     -7.671652      7.513980
  H      -0.699507     -5.478181      7.650546
  H      -0.963667     -6.591778      6.310807
  H       0.246766     -4.672297      5.089603
  H       0.104771     -3.562211      6.465357
  H      -0.600638     -3.115383      4.890027
  H      -3.471884     -3.887097      7.191901
  H      -1.873347     -3.338931      7.754277
  H      -2.619360     -2.599945      6.312998
  N      -4.957112     -3.364599      5.402277
  H      -5.228129     -2.485496      5.852860
85
Coordinates from ORCA-job orca E -5421.401783917121
  N      -3.980320     -3.282091      2.400842
  C      -4.027456     -4.022410      1.133435
  C      -3.190759     -5.289018      1.246889
  N      -3.650224     -6.039922      2.426686
  C      -4.821325     -6.892447      2.137711
  C      -5.772209     -6.777157      3.320483
  N      -6.021212     -5.363534      3.562662
  Mo     -4.332421     -4.333478      4.059540
  N      -2.538242     -4.966611      4.787166
  C      -1.727665     -5.806551      3.899617
  C      -2.586357     -6.775619      3.119269
  H      -0.991402     -6.403150      4.462251
  H      -1.134302     -5.187016      3.197792
  H      -3.070533     -7.469418      3.821461
  H      -1.975177     -7.370199      2.411935
  H      -6.695842     -7.340959      3.114283
  H      -5.319978     -7.261901      4.206668
  H      -5.322733     -6.501356      1.242381
  H      -4.505628     -7.932456      1.931711
  H      -3.649364     -3.428138      0.288305
  H      -5.072853     -4.289657      0.889723
  H      -2.140216     -5.004376      1.397001
  H      -3.252856     -5.908159      0.332122
  C      -1.339231      0.212888      0.702491
  C      -1.302214     -0.574241      1.788734
  C      -0.489931     -0.201793      2.999111
  C      -2.029307     -1.897809      1.841170
  C      -3.538273     -1.870448      2.270932
  C      -4.400536     -1.117976      1.241181
  C      -3.687716     -1.135959      3.601837
  C      -7.303752     -6.619356      6.526789
  C      -7.914625     -5.573407      5.950881
  C      -8.227764     -4.332966      6.741490
  C      -8.340640     -5.629244      4.505554
  C      -7.422203     -4.928697      3.441679
  C      -7.986560     -5.307643      2.050670
  C      -7.527013     -3.402588      3.537297
  C      -2.745877     -6.311551      8.985111
  C      -2.616296     -6.443472      7.655663
  C      -3.602219     -7.238331      6.848219
  C      -1.457596     -5.818699      6.922445
  C      -1.771822     -4.577926      6.011024
  C      -0.419945     -3.956112      5.590285
  C      -2.484845     -3.542183      6.874485
  H      -0.813169      1.169499      0.674201
  H      -1.894228     -0.075043     -0.192758
  H      -1.101674     -0.193338      3.913722
  H      -0.018271      0.783400      2.884690
  H       0.303613     -0.949042      3.167398
  H      -1.523294     -2.566422      2.555891
  H      -1.970619     -2.376048      0.851954
  H      -4.091013     -0.065781      1.186128
  H      -5.455270     -1.154628      1.549952
  H      -4.323346     -1.538300      0.229656
  H      -4.736748     -1.149571      3.923535
  H      -3.084024     -1.599565      4.392756
  H      -3.373047     -0.090019      3.481883
  H      -7.086099     -7.532093      5.968527
  H      -6.991003     -6.591149      7.572617
  H      -9.292832     -4.065013      6.647142
  H      -7.649367     -3.470478      6.380502
  H      -7.994281     -4.471733      7.805493
  H      -8.430233     -6.687249      4.213689
  H      -9.348401     -5.192078      4.398841
  H      -7.966810     -6.391323      1.870336
  H      -7.399047     -4.813146      1.263553
  H      -9.032513     -4.977204      1.960227
  H      -8.577000     -3.096407      3.423374
  H      -7.145067     -3.020740      4.487362
  H      -6.938142     -2.936013      2.733649
  H      -3.577061     -6.771194      9.524389
  H      -2.026644     -5.736624      9.572630
  H      -4.089592     -6.597286      6.097652
  H      -3.091607     -8.038965      6.286773
  H      -4.375823     -7.690901      7.482295
  H      -0.711752     -5.484176      7.659428
  H      -0.962217     -6.591917      6.311793
  H       0.244082     -4.677604      5.095163
  H       0.106613     -3.571814      6.475311
  H      -0.597045     -3.116800      4.901421
  H      -3.471148     -3.887057      7.200390
  H      -1.870944     -3.347957      7.766480
  H      -2.613329     -2.598875      6.328798
  N      -4.955596     -3.357105      5.401763
  H      -5.215317     -2.471220      5.845771
85
Coordinates from ORCA-job orca E -5421.401831460020
  N      -3.980527     -3.281614      2.396921
  C      -4.024450     -4.023865      1.130756
  C      -3.188856     -5.290804      1.246836
  N      -3.651853     -6.039970      2.426293
  C      -4.823604     -6.890785      2.136318
  C      -5.774675     -6.775020      3.318504
  N      -6.021419     -5.361166      3.561580
  Mo     -4.334226     -4.331288      4.057377
  N      -2.541678     -4.964445      4.788604
  C      -1.731519     -5.807395      3.903033
  C      -2.590474     -6.776321      3.121747
  H      -0.997133     -6.404530      4.467668
  H      -1.136002     -5.189720      3.201382
  H      -3.076884     -7.469399      3.822942
  H      -1.978282     -7.371934      2.416006
  H      -6.699212     -7.336669      3.110568
  H      -5.324745     -7.261178      4.204958
  H      -5.324465     -6.498567      1.241107
  H      -4.509136     -7.931000      1.929584
  H      -3.644974     -3.429880      0.286000
  H      -5.069014     -4.292490      0.884384
  H      -2.138384     -5.007386      1.399437
  H      -3.249521     -5.910670      0.332332
  C      -1.342157      0.217574      0.703717
  C      -1.303770     -0.571994      1.788117
  C      -0.491284     -0.201040      2.998943
  C      -2.029321     -1.896505      1.839634
  C      -3.539278     -1.870062      2.266891
  C      -4.399963     -1.118584      1.234736
  C      -3.690862     -1.133399      3.596563
  C      -7.315535     -6.653578      6.518791
  C      -7.902429     -5.589726      5.950581
  C      -8.175931     -4.343841      6.747106
  C      -8.338719     -5.629867      4.507509
  C      -7.422809     -4.926328      3.443654
  C      -7.987585     -5.302435      2.052166
  C      -7.528741     -3.400458      3.542304
  C      -2.766496     -6.295177      8.985455
  C      -2.628020     -6.435856      7.657863
  C      -3.607857     -7.237430      6.849376
  C      -1.465566     -5.814205      6.927806
  C      -1.775056     -4.575268      6.012483
  C      -0.420869     -3.959072      5.591516
  C      -2.485047     -3.535144      6.872969
  H      -0.817066      1.174757      0.677367
  H      -1.896415     -0.069210     -0.192354
  H      -1.101375     -0.202750      3.914746
  H      -0.026207      0.787855      2.889738
  H       0.307636     -0.944080      3.161076
  H      -1.524050     -2.563953      2.555972
  H      -1.967512     -2.376155      0.851013
  H      -4.093746     -0.065426      1.182208
  H      -5.455696     -1.159050      1.539923
  H      -4.317971     -1.537060      0.222751
  H      -4.740437     -1.145877      3.916977
  H      -3.088500     -1.595558      4.389456
  H      -3.375634     -0.087655      3.475493
  H      -7.124550     -7.569541      5.955788
  H      -6.996436     -6.637617      7.563130
  H      -9.229350     -4.035507      6.646567
  H      -7.561206     -3.502320      6.396034
  H      -7.955445     -4.497991      7.811990
  H      -8.438443     -6.684937      4.208105
  H      -9.344206     -5.184670      4.411627
  H      -7.966713     -6.385532      1.868846
  H      -7.401279     -4.804978      1.266090
  H      -9.034053     -4.972980      1.963669
  H      -8.578957     -3.095616      3.427116
  H      -7.148847     -3.019119      4.493324
  H      -6.939581     -2.932203      2.739836
  H      -3.600477     -6.752615      9.522316
  H      -2.052479     -5.714683      9.573847
  H      -4.096762     -6.600811      6.096219
  H      -3.091502     -8.037139      6.291905
  H      -4.380762     -7.692087      7.482887
  H      -0.722415     -5.478161      7.666844
  H      -0.968240     -6.589552      6.321338
  H       0.241035     -4.684208      5.099019
  H       0.106264     -3.574164      6.476076
  H      -0.594299     -3.121180      4.900185
  H      -3.472844     -3.876047      7.198247
  H      -1.871582     -3.341175      7.765348
  H      -2.609138     -2.592551      6.325137
  N      -4.961160     -3.355768      5.399123
  H      -5.207973     -2.466307      5.843857
85
Coordinates from ORCA-job orca E -5421.401960608589
  N      -3.980481     -3.279698      2.384535
  C      -4.018185     -4.027362      1.122397
  C      -3.184854     -5.294766      1.245920
  N      -3.654789     -6.037864      2.426475
  C      -4.828846     -6.884897      2.137125
  C      -5.778784     -6.766519      3.319449
  N      -6.019494     -5.351587      3.563127
  Mo     -4.334856     -4.322963      4.052529
  N      -2.545350     -4.955385      4.789957
  C      -1.737446     -5.807277      3.909656
  C      -2.598372     -6.775594      3.127765
  H      -1.008026     -6.405877      4.479288
  H      -1.136470     -5.195365      3.207498
  H      -3.089478     -7.466323      3.827670
  H      -1.985049     -7.374407      2.425414
  H      -6.705876     -7.322909      3.109141
  H      -5.333508     -7.255035      4.206584
  H      -5.329742     -6.491395      1.242347
  H      -4.517517     -7.925876      1.929729
  H      -3.636429     -3.435303      0.277076
  H      -5.061021     -4.299466      0.871315
  H      -2.134371     -5.013903      1.402766
  H      -3.243154     -5.917944      0.333268
  C      -1.344081      0.224990      0.701063
  C      -1.305899     -0.566565      1.784135
  C      -0.498672     -0.194051      2.998344
  C      -2.026985     -1.893601      1.835177
  C      -3.540271     -1.869352      2.252475
  C      -4.394515     -1.122702      1.211359
  C      -3.700175     -1.125649      3.577351
  C      -7.348801     -6.750408      6.498059
  C      -7.868344     -5.640115      5.952882
  C      -8.037595     -4.388911      6.769219
  C      -8.330868     -5.632890      4.516636
  C      -7.422362     -4.917648      3.454696
  C      -7.988286     -5.284132      2.061418
  C      -7.533340     -3.392590      3.563405
  C      -2.831378     -6.253997      8.980656
  C      -2.667618     -6.414054      7.658250
  C      -3.634014     -7.225763      6.843015
  C      -1.490521     -5.804030      6.941250
  C      -1.781000     -4.568109      6.016049
  C      -0.418589     -3.967527      5.600189
  C      -2.485800     -3.516308      6.866256
  H      -0.822485      1.184147      0.678183
  H      -1.892721     -0.062683     -0.198166
  H      -1.108031     -0.219008      3.914424
  H      -0.051182      0.804098      2.900762
  H       0.314057     -0.924454      3.150915
  H      -1.525423     -2.556263      2.558517
  H      -1.955773     -2.379046      0.849499
  H      -4.095445     -0.067622      1.162610
  H      -5.453050     -1.171229      1.506183
  H      -4.298906     -1.540053      0.199915
  H      -4.751496     -1.136871      3.892890
  H      -3.101646     -1.582517      4.376387
  H      -3.384897     -0.080244      3.452221
  H      -7.227679     -7.669498      5.920410
  H      -7.017062     -6.771372      7.538668
  H      -9.052462     -3.975348      6.653629
  H      -7.330360     -3.609967      6.447898
  H      -7.855834     -4.584014      7.835098
  H      -8.457292     -6.678394      4.194182
  H      -9.329970     -5.167304      4.451712
  H      -7.962409     -6.365227      1.867945
  H      -7.406506     -4.776136      1.278854
  H      -9.036806     -4.959117      1.979188
  H      -8.584709     -3.092530      3.446264
  H      -7.158672     -3.013146      4.516979
  H      -6.944746     -2.918028      2.764121
  H      -3.676003     -6.703204      9.507853
  H      -2.128973     -5.664990      9.574505
  H      -4.121173     -6.596689      6.082771
  H      -3.106337     -8.024992      6.295710
  H      -4.409964     -7.682217      7.471770
  H      -0.755778     -5.467423      7.688472
  H      -0.989010     -6.586162      6.346883
  H       0.239159     -4.702339      5.116827
  H       0.106780     -3.582011      6.485767
  H      -0.579035     -3.132796      4.902242
  H      -3.479306     -3.846127      7.185156
  H      -1.877413     -3.324209      7.762463
  H      -2.595245     -2.575085      6.312866
  N      -4.964777     -3.344460      5.392213
  H      -5.186904     -2.446455      5.833656
85
Coordinates from ORCA-job orca E -5421.402042102958
  N      -3.981597     -3.277079      2.370773
  C      -4.013449     -4.030629      1.113359
  C      -3.181957     -5.298139      1.244128
  N      -3.657992     -6.034693      2.426539
  C      -4.834316     -6.878383      2.139189
  C      -5.782194     -6.756925      3.322336
  N      -6.016034     -5.340866      3.565719
  Mo     -4.334032     -4.313572      4.047944
  N      -2.547292     -4.944447      4.790350
  C      -1.742204     -5.805640      3.914945
  C      -2.605632     -6.773505      3.132664
  H      -1.017630     -6.405666      4.489353
  H      -1.136104     -5.199493      3.212034
  H      -3.100564     -7.462530      3.831178
  H      -1.991418     -7.374935      2.432984
  H      -6.712111     -7.307708      3.110113
  H      -5.341515     -7.247491      4.210232
  H      -5.336146     -6.484418      1.244966
  H      -4.525937     -7.920117      1.931541
  H      -3.630687     -3.440396      0.266886
  H      -5.054419     -4.307440      0.858364
  H      -2.131397     -5.019750      1.404477
  H      -3.238502     -5.925136      0.333712
  C      -1.343830      0.230888      0.697596
  C      -1.307580     -0.561601      1.780252
  C      -0.508111     -0.185912      2.999027
  C      -2.024285     -1.891082      1.831550
  C      -3.541466     -1.868576      2.236793
  C      -4.387191     -1.126743      1.185266
  C      -3.710965     -1.117088      3.556150
  C      -7.382945     -6.845529      6.479286
  C      -7.828447     -5.692611      5.956557
  C      -7.885042     -4.442906      6.789980
  C      -8.319544     -5.636138      4.529897
  C      -7.420560     -4.908522      3.468643
  C      -7.988849     -5.266145      2.074385
  C      -7.537635     -3.384321      3.586371
  C      -2.905994     -6.209897      8.971090
  C      -2.713570     -6.390267      7.655289
  C      -3.665870     -7.210697      6.831329
  C      -1.518871     -5.794134      6.954905
  C      -1.786414     -4.560864      6.019826
  C      -0.414663     -3.977202      5.611958
  C      -2.486366     -3.497034      6.858706
  H      -0.825912      1.192091      0.678125
  H      -1.884927     -0.058716     -0.205570
  H      -1.117579     -0.235551      3.914193
  H      -0.080225      0.821888      2.913876
  H       0.319496     -0.901638      3.143351
  H      -1.527783     -2.548060      2.563504
  H      -1.942348     -2.383837      0.849744
  H      -4.095604     -0.069739      1.140968
  H      -5.448889     -1.183914      1.467748
  H      -4.275768     -1.542758      0.174656
  H      -4.764169     -1.127541      3.866341
  H      -3.116609     -1.567749      4.361998
  H      -3.396029     -0.071967      3.426443
  H      -7.337308     -7.763951      5.889224
  H      -7.038477     -6.903965      7.514649
  H      -8.847286     -3.922115      6.660854
  H      -7.088045     -3.743395      6.495858
  H      -7.746816     -4.671890      7.856078
  H      -8.474094     -6.670751      4.184883
  H      -9.311422     -5.151007      4.499244
  H      -7.957232     -6.345095      1.870872
  H      -7.413062     -4.747190      1.294731
  H      -9.039817     -4.946637      1.999643
  H      -8.590525     -3.090117      3.467998
  H      -7.167605     -3.005370      4.541604
  H      -6.950831     -2.903841      2.789165
  H      -3.763337     -6.649306      9.486021
  H      -2.216112     -5.613153      9.571820
  H      -4.150219     -6.588387      6.064142
  H      -3.126770     -8.009166      6.294362
  H      -4.445903     -7.669098      7.453989
  H      -0.794068     -5.458076      7.712112
  H      -1.013100     -6.583954      6.374260
  H       0.238867     -4.722170      5.138850
  H       0.107725     -3.591831      6.499618
  H      -0.559836     -3.145526      4.907406
  H      -3.486518     -3.814952      7.168471
  H      -1.885090     -3.307937      7.760258
  H      -2.578768     -2.556957      6.300103
  N      -4.969095     -3.332960      5.384951
  H      -5.174286     -2.430482      5.826176
85
Coordinates from ORCA-job orca E -5421.402115685535
  N      -3.983563     -3.274622      2.372179
  C      -4.020308     -4.027273      1.114338
  C      -3.186372     -5.293624      1.243153
  N      -3.657454     -6.029679      2.428009
  C      -4.833414     -6.875473      2.144281
  C      -5.778810     -6.755006      3.329932
  N      -6.014612     -5.338845      3.573470
  Mo     -4.328220     -4.309418      4.050693
  N      -2.538701     -4.938625      4.785469
  C      -1.736340     -5.800640      3.909477
  C      -2.601197     -6.768214      3.130107
  H      -1.010457     -6.400022      4.482754
  H      -1.132179     -5.195059      3.204707
  H      -3.092870     -7.458610      3.829865
  H      -1.988885     -7.368052      2.427917
  H      -6.708430     -7.306946      3.120310
  H      -5.335005     -7.245454      4.216424
  H      -5.337362     -6.483677      1.250543
  H      -4.523535     -7.917055      1.937579
  H      -3.641260     -3.438172      0.265732
  H      -5.062581     -4.303229      0.864490
  H      -2.135500     -5.013447      1.399062
  H      -3.245644     -5.921786      0.334154
  C      -1.327158      0.214630      0.692630
  C      -1.297311     -0.571570      1.779414
  C      -0.499494     -0.193741      2.998390
  C      -2.020841     -1.896862      1.833786
  C      -3.537555     -1.867545      2.237701
  C      -4.379490     -1.122109      1.185583
  C      -3.705853     -1.116878      3.557558
  C      -7.383999     -6.848682      6.479525
  C      -7.851412     -5.705048      5.955997
  C      -7.952825     -4.461409      6.793530
  C      -8.324026     -5.652835      4.524281
  C      -7.422073     -4.910333      3.476848
  C      -7.983832     -5.255774      2.076289
  C      -7.546977     -3.388237      3.612172
  C      -2.898886     -6.202160      8.967096
  C      -2.709200     -6.383698      7.650899
  C      -3.665931     -7.200432      6.829432
  C      -1.513597     -5.791932      6.948349
  C      -1.776084     -4.557342      6.013238
  C      -0.402639     -3.977823      5.604389
  C      -2.473029     -3.489499      6.850481
  H      -0.804735      1.173334      0.669191
  H      -1.867548     -0.077597     -0.210097
  H      -1.111257     -0.235443      3.912003
  H      -0.066733      0.811613      2.908823
  H       0.323929     -0.912569      3.148381
  H      -1.527033     -2.554199      2.567386
  H      -1.941965     -2.391885      0.853601
  H      -4.084199     -0.065712      1.142738
  H      -5.441816     -1.175758      1.465390
  H      -4.267565     -1.537686      0.175194
  H      -4.758672     -1.127219      3.867791
  H      -3.111774     -1.569445      4.362535
  H      -3.390126     -0.072188      3.429130
  H      -7.304202     -7.761382      5.884934
  H      -7.053511     -6.903868      7.519131
  H      -8.929078     -3.968991      6.658986
  H      -7.174213     -3.738288      6.505587
  H      -7.816119     -4.690174      7.859457
  H      -8.459677     -6.688299      4.174781
  H      -9.321679     -5.181214      4.482396
  H      -7.946258     -6.332533      1.861675
  H      -7.407568     -4.726049      1.304138
  H      -9.035877     -4.940683      2.000207
  H      -8.600385     -3.097042      3.491114
  H      -7.185061     -3.020205      4.575124
  H      -6.957369     -2.894857      2.825257
  H      -3.757043     -6.637890      9.483584
  H      -2.205243     -5.608306      9.566418
  H      -4.151729     -6.574752      6.065410
  H      -3.131647     -7.999041      6.287882
  H      -4.445404     -7.657925      7.453099
  H      -0.786697     -5.458939      7.704810
  H      -1.011943     -6.583565      6.366694
  H       0.249320     -4.724857      5.131873
  H       0.120544     -3.593060      6.491350
  H      -0.546214     -3.146111      4.898828
  H      -3.474491     -3.803330      7.160667
  H      -1.871314     -3.301164      7.751849
  H      -2.562617     -2.549784      6.290388
  N      -4.957300     -3.320638      5.383235
  H      -5.189523     -2.422209      5.818185
85
Coordinates from ORCA-job orca E -5421.402129930651
  N      -3.985690     -3.271069      2.367223
  C      -4.021977     -4.025943      1.110914
  C      -3.187597     -5.291821      1.241918
  N      -3.659619     -6.025056      2.428327
  C      -4.836668     -6.869356      2.145813
  C      -5.779560     -6.750024      3.333060
  N      -6.012903     -5.333880      3.580465
  Mo     -4.325128     -4.302995      4.049857
  N      -2.535583     -4.930650      4.782999
  C      -1.736516     -5.798584      3.909232
  C      -2.604028     -6.764939      3.130448
  H      -1.013350     -6.399404      4.484336
  H      -1.129570     -5.196762      3.203501
  H      -3.096624     -7.455173      3.829589
  H      -1.992572     -7.365296      2.427916
  H      -6.710582     -7.299069      3.122515
  H      -5.336502     -7.243774      4.217864
  H      -5.341869     -6.476453      1.253261
  H      -4.527898     -7.910939      1.937415
  H      -3.644172     -3.438067      0.260845
  H      -5.064038     -4.303347      0.861903
  H      -2.136704     -5.011710      1.397778
  H      -3.246931     -5.922109      0.334349
  C      -1.315472      0.206727      0.685648
  C      -1.290826     -0.576197      1.775053
  C      -0.497121     -0.196139      2.996115
  C      -2.017026     -1.899835      1.831790
  C      -3.534890     -1.865962      2.230598
  C      -4.370953     -1.120946      1.173823
  C      -3.704674     -1.110454      3.547114
  C      -7.394159     -6.895150      6.468348
  C      -7.845163     -5.738786      5.958352
  C      -7.923788     -4.502597      6.809360
  C      -8.321299     -5.664830      4.528628
  C      -7.422033     -4.907414      3.490224
  C      -7.981315     -5.238093      2.085048
  C      -7.551136     -3.387558      3.643253
  C      -2.938517     -6.170671      8.957868
  C      -2.730555     -6.367152      7.646580
  C      -3.676889     -7.192300      6.821530
  C      -1.525501     -5.783077      6.953543
  C      -1.773916     -4.550771      6.011628
  C      -0.394717     -3.982043      5.606833
  C      -2.467013     -3.473664      6.840465
  H      -0.791569      1.164622      0.661265
  H      -1.852295     -0.087655     -0.218494
  H      -1.109798     -0.244866      3.908792
  H      -0.070577      0.812137      2.909770
  H       0.330919     -0.910027      3.145028
  H      -1.527245     -2.554975      2.570125
  H      -1.936187     -2.399837      0.854264
  H      -4.076625     -0.064289      1.133360
  H      -5.434926     -1.176148      1.447207
  H      -4.252133     -1.536124      0.164034
  H      -4.758097     -1.117933      3.855320
  H      -3.113024     -1.561523      4.354670
  H      -3.386512     -0.066860      3.415731
  H      -7.326673     -7.801800      5.863136
  H      -7.065132     -6.967142      7.507391
  H      -8.883657     -3.980896      6.669252
  H      -7.119566     -3.801207      6.537898
  H      -7.805901     -4.747422      7.874012
  H      -8.459739     -6.695092      4.165402
  H      -9.318860     -5.191923      4.496857
  H      -7.938305     -6.312007      1.857290
  H      -7.407025     -4.696169      1.319958
  H      -9.034937     -4.927155      2.011982
  H      -8.604902     -3.098324      3.520229
  H      -7.195817     -3.029280      4.612260
  H      -6.959482     -2.883454      2.864620
  H      -3.803903     -6.600458      9.467238
  H      -2.253151     -5.570187      9.560077
  H      -4.161370     -6.572165      6.052085
  H      -3.135151     -7.990430      6.286922
  H      -4.458948     -7.650781      7.441268
  H      -0.804687     -5.449629      7.715646
  H      -1.021445     -6.579040      6.379932
  H       0.255243     -4.735453      5.141922
  H       0.126154     -3.595606      6.494429
  H      -0.529603     -3.153417      4.895947
  H      -3.472140     -3.778944      7.147283
  H      -1.868409     -3.284938      7.743761
  H      -2.547191     -2.536070      6.275186
  N      -4.955102     -3.311007      5.379537
  H      -5.195886     -2.415309      5.815432
85
Coordinates from ORCA-job orca E -5421.402144202854
  N      -3.989091     -3.271396      2.370547
  C      -4.024533     -4.023803      1.112073
  C      -3.188026     -5.289072      1.241854
  N      -3.658665     -6.025212      2.427004
  C      -4.833874     -6.871732      2.142007
  C      -5.779380     -6.755567      3.327547
  N      -6.016796     -5.339919      3.576950
  Mo     -4.328650     -4.306568      4.049261
  N      -2.537722     -4.932063      4.781640
  C      -1.736837     -5.797946      3.908389
  C      -2.602222     -6.764280      3.128878
  H      -1.013490     -6.398462      4.483569
  H      -1.129892     -5.194948      3.203658
  H      -3.094166     -7.455501      3.827650
  H      -1.989807     -7.363287      2.426170
  H      -6.708780     -7.306493      3.114932
  H      -5.336192     -7.249902      4.212016
  H      -5.338035     -6.478844      1.248954
  H      -4.522757     -7.912613      1.933204
  H      -3.646387     -3.434989      0.263025
  H      -5.066663     -4.300121      0.862917
  H      -2.137786     -5.006576      1.398060
  H      -3.245775     -5.918291      0.333569
  C      -1.312651      0.204086      0.693146
  C      -1.289298     -0.580062      1.781773
  C      -0.493509     -0.204091      3.002577
  C      -2.018869     -1.901894      1.835570
  C      -3.536041     -1.865880      2.236240
  C      -4.372787     -1.116719      1.182817
  C      -3.703821     -1.114724      3.555159
  C      -7.384586     -6.870516      6.475291
  C      -7.849267     -5.723148      5.957900
  C      -7.941939     -4.481811      6.800743
  C      -8.325075     -5.663967      4.527674
  C      -7.426216     -4.914000      3.484305
  C      -7.987835     -5.250502      2.081150
  C      -7.552864     -3.393772      3.632009
  C      -2.920315     -6.179117      8.960809
  C      -2.720320     -6.370921      7.647532
  C      -3.669659     -7.195433      6.825814
  C      -1.520713     -5.782528      6.949170
  C      -1.775289     -4.550023      6.009094
  C      -0.398152     -3.978034      5.600987
  C      -2.468382     -3.474162      6.839951
  H      -0.786558      1.160859      0.669485
  H      -1.851833     -0.087648     -0.210459
  H      -1.105635     -0.249548      3.915672
  H      -0.062531      0.802287      2.915824
  H       0.331178     -0.921783      3.150790
  H      -1.529197     -2.560573      2.570885
  H      -1.941309     -2.398155      0.856288
  H      -4.075643     -0.060613      1.144067
  H      -5.436402     -1.169513      1.457677
  H      -4.257038     -1.529862      0.172021
  H      -4.757039     -1.122077      3.863561
  H      -3.112234     -1.569629      4.360462
  H      -3.384509     -0.071177      3.427006
  H      -7.307737     -7.780127      5.876042
  H      -7.054282     -6.931918      7.514391
  H      -8.911784     -3.977639      6.665695
  H      -7.153454     -3.768194      6.516211
  H      -7.810489     -4.716429      7.865773
  H      -8.460957     -6.697580      4.173591
  H      -9.323247     -5.193127      4.490551
  H      -7.945037     -6.325580      1.858249
  H      -7.414176     -4.712250      1.312897
  H      -9.041499     -4.939890      2.007315
  H      -8.606412     -3.102857      3.510418
  H      -7.194980     -3.033856      4.599472
  H      -6.961838     -2.892730      2.850978
  H      -3.781628     -6.612121      9.474300
  H      -2.231802     -5.579797      9.560583
  H      -4.158393     -6.573638      6.060114
  H      -3.130024     -7.991284      6.285783
  H      -4.448331     -7.656518      7.447654
  H      -0.797166     -5.448344      7.708306
  H      -1.017623     -6.576206      6.371601
  H       0.252953     -4.729746      5.134772
  H       0.123507     -3.590038      6.487262
  H      -0.537147     -3.149801      4.890210
  H      -3.471758     -3.781222      7.150641
  H      -1.866804     -3.283586      7.740920
  H      -2.552961     -2.537060      6.274427
  N      -4.957576     -3.316138      5.380159
  H      -5.204196     -2.422208      5.816181
85
Coordinates from ORCA-job orca E -5421.402150793993
  N      -3.989324     -3.271131      2.373268
  C      -4.024198     -4.022490      1.113707
  C      -3.187617     -5.287952      1.242832
  N      -3.658721     -6.025622      2.426703
  C      -4.833832     -6.871655      2.139781
  C      -5.780530     -6.757037      3.324368
  N      -6.018901     -5.341980      3.575822
  Mo     -4.329984     -4.308121      4.049077
  N      -2.538782     -4.933873      4.781452
  C      -1.737814     -5.800407      3.909101
  C      -2.603463     -6.765553      3.128957
  H      -1.015966     -6.402206      4.484916
  H      -1.129031     -5.198236      3.205182
  H      -3.096584     -7.456148      3.827519
  H      -1.991252     -7.365215      2.426546
  H      -6.709664     -7.307899      3.109931
  H      -5.338026     -7.252705      4.208575
  H      -5.337026     -6.477281      1.246800
  H      -4.522868     -7.912366      1.929876
  H      -3.645166     -3.433100      0.265468
  H      -5.066444     -4.297767      0.864205
  H      -2.137732     -5.004737      1.399943
  H      -3.244299     -5.916231      0.333777
  C      -1.312764      0.203915      0.694791
  C      -1.288978     -0.580225      1.783531
  C      -0.491859     -0.204865      3.003562
  C      -2.018999     -1.901904      1.837007
  C      -3.535667     -1.865133      2.239267
  C      -4.373630     -1.115697      1.186932
  C      -3.702639     -1.114773      3.558855
  C      -7.379150     -6.863514      6.475437
  C      -7.851045     -5.719164      5.957882
  C      -7.951369     -4.478667      6.801458
  C      -8.326611     -5.663307      4.527105
  C      -7.427923     -4.916094      3.481579
  C      -7.990014     -5.255452      2.079527
  C      -7.553750     -3.395487      3.625904
  C      -2.916993     -6.177391      8.961413
  C      -2.717957     -6.370268      7.648142
  C      -3.667055     -7.196135      6.827481
  C      -1.519295     -5.781858      6.948438
  C      -1.775347     -4.550099      6.008088
  C      -0.398254     -3.979193      5.597843
  C      -2.466329     -3.473454      6.839509
  H      -0.786523      1.160598      0.670705
  H      -1.853231     -0.087536     -0.208129
  H      -1.103139     -0.249247      3.917288
  H      -0.060113      0.801140      2.916136
  H       0.332316     -0.923326      3.151041
  H      -1.528606     -2.561639      2.570873
  H      -1.942914     -2.396546      0.856742
  H      -4.075704     -0.059815      1.147755
  H      -5.436947     -1.167609      1.463074
  H      -4.259549     -1.528796      0.175866
  H      -4.755908     -1.121685      3.867240
  H      -3.111150     -1.570558      4.363649
  H      -3.382865     -0.071264      3.431208
  H      -7.297678     -7.773018      5.876522
  H      -7.047875     -6.922547      7.514435
  H      -8.925970     -3.982642      6.670289
  H      -7.170653     -3.757873      6.514259
  H      -7.813865     -4.712487      7.865911
  H      -8.461910     -6.697996      4.175643
  H      -9.324984     -5.192998      4.488323
  H      -7.946220     -6.330920      1.858793
  H      -7.416789     -4.718377      1.310121
  H      -9.043917     -4.945910      2.005144
  H      -8.607182     -3.103928      3.504431
  H      -7.195158     -3.034353      4.592473
  H      -6.962861     -2.896006      2.843798
  H      -3.777708     -6.610319      9.475978
  H      -2.228201     -5.577296      9.560085
  H      -4.154194     -6.575550      6.059723
  H      -3.127258     -7.993241      6.289407
  H      -4.446902     -7.655621      7.449041
  H      -0.795008     -5.447144      7.706647
  H      -1.016559     -6.575180      6.370092
  H       0.252199     -4.731660      5.132017
  H       0.124340     -3.590186      6.483173
  H      -0.537805     -3.151869      4.886229
  H      -3.468811     -3.780034      7.153560
  H      -1.861911     -3.281633      7.738338
  H      -2.552642     -2.537207      6.273004
  N      -4.956742     -3.318751      5.381897
  H      -5.197249     -2.422603      5.817018
85
Coordinates from ORCA-job orca E -5421.402155778896
  N      -3.991487     -3.271322      2.374616
  C      -4.025435     -4.021916      1.114541
  C      -3.187785     -5.286700      1.243117
  N      -3.658684     -6.025794      2.426165
  C      -4.833474     -6.871924      2.137852
  C      -5.781525     -6.758898      3.321545
  N      -6.020366     -5.344512      3.574913
  Mo     -4.330606     -4.310370      4.048801
  N      -2.538406     -4.934607      4.780014
  C      -1.737443     -5.802242      3.908676
  C      -2.603753     -6.766307      3.127937
  H      -1.017337     -6.405393      4.485378
  H      -1.126659     -5.201101      3.205523
  H      -3.097291     -7.456889      3.826188
  H      -1.991930     -7.366084      2.425143
  H      -6.710372     -7.309388      3.104553
  H      -5.340448     -7.256120      4.205716
  H      -5.336102     -6.476665      1.244881
  H      -4.522134     -7.912334      1.927097
  H      -3.646593     -3.431600      0.266792
  H      -5.067519     -4.297732      0.865047
  H      -2.138447     -5.002012      1.401098
  H      -3.243015     -5.914480      0.333545
  C      -1.311450      0.202315      0.697815
  C      -1.289438     -0.581740      1.786844
  C      -0.492915     -0.206946      3.007447
  C      -2.019984     -1.903186      1.839290
  C      -3.536535     -1.865422      2.241621
  C      -4.374216     -1.115412      1.189695
  C      -3.703826     -1.116258      3.561925
  C      -7.379763     -6.862473      6.475568
  C      -7.851597     -5.718131      5.957721
  C      -7.949124     -4.476924      6.800802
  C      -8.327642     -5.663079      4.526800
  C      -7.428707     -4.917815      3.480060
  C      -7.991857     -5.256474      2.078516
  C      -7.552253     -3.396992      3.624535
  C      -2.918882     -6.170562      8.960582
  C      -2.718085     -6.366714      7.648071
  C      -3.665221     -7.195738      6.828284
  C      -1.518934     -5.779136      6.948533
  C      -1.774715     -4.549009      6.006164
  C      -0.397081     -3.980367      5.594413
  C      -2.464135     -3.470357      6.836018
  H      -0.784914      1.158840      0.674196
  H      -1.851295     -0.088971     -0.205526
  H      -1.104249     -0.252832      3.921093
  H      -0.062186      0.799608      2.921223
  H       0.332072     -0.924767      3.154043
  H      -1.529905     -2.564087      2.572302
  H      -1.944456     -2.396404      0.858087
  H      -4.076019     -0.059632      1.151215
  H      -5.437631     -1.167291      1.465576
  H      -4.260028     -1.527642      0.178165
  H      -4.757233     -1.123661      3.870181
  H      -3.112472     -1.572552      4.366522
  H      -3.384336     -0.072489      3.435168
  H      -7.300013     -7.772700      5.877329
  H      -7.047040     -6.920849      7.514261
  H      -8.924194     -3.980895      6.672937
  H      -7.169717     -3.755993      6.509984
  H      -7.807485     -4.710107      7.864964
  H      -8.464182     -6.698227      4.176778
  H      -9.325620     -5.191728      4.487854
  H      -7.947033     -6.331656      1.856949
  H      -7.419591     -4.718422      1.309109
  H      -9.046119     -4.947968      2.005059
  H      -8.605066     -3.103434      3.502271
  H      -7.194092     -3.037163      4.591785
  H      -6.959637     -2.898013      2.843446
  H      -3.779844     -6.602969      9.475202
  H      -2.231426     -5.568308      9.558607
  H      -4.153625     -6.577385      6.059512
  H      -3.123444     -7.992142      6.291147
  H      -4.444365     -7.656218      7.450049
  H      -0.795347     -5.442986      7.706799
  H      -1.015434     -6.572985      6.371581
  H       0.252880     -4.734768      5.131141
  H       0.125603     -3.589012      6.478722
  H      -0.535914     -3.155197      4.880293
  H      -3.465988     -3.776269      7.152761
  H      -1.857739     -3.276116      7.732954
  H      -2.551716     -2.535710      6.267122
  N      -4.956181     -3.321963      5.382848
  H      -5.198549     -2.426241      5.817806
85
Coordinates from ORCA-job orca E -5421.402158992053
  N      -3.991821     -3.270951      2.374249
  C      -4.024651     -4.022027      1.114368
  C      -3.186842     -5.286568      1.243610
  N      -3.658847     -6.025823      2.426138
  C      -4.833943     -6.871172      2.136842
  C      -5.782462     -6.758661      3.320127
  N      -6.020787     -5.344601      3.574852
  Mo     -4.330286     -4.310574      4.048156
  N      -2.537668     -4.934317      4.779039
  C      -1.737460     -5.804290      3.909322
  C      -2.605000     -6.767307      3.128315
  H      -1.019664     -6.408906      4.487447
  H      -1.124128     -5.205184      3.206663
  H      -3.099617     -7.457123      3.826539
  H      -1.993783     -7.368067      2.425807
  H      -6.711410     -7.308374      3.101488
  H      -5.342596     -7.257246      4.204157
  H      -5.336105     -6.474934      1.244038
  H      -4.523091     -7.911592      1.925379
  H      -3.645640     -3.431647      0.266776
  H      -5.066527     -4.298380      0.864585
  H      -2.137794     -5.001458      1.402832
  H      -3.240799     -5.914295      0.333917
  C      -1.310268      0.202464      0.698490
  C      -1.289207     -0.581532      1.787695
  C      -0.494047     -0.206326      3.009084
  C      -2.019386     -1.903176      1.839535
  C      -3.536193     -1.865163      2.241051
  C      -4.373301     -1.115405      1.188537
  C      -3.704246     -1.115847      3.561069
  C      -7.379192     -6.867895      6.473568
  C      -7.850076     -5.722040      5.958167
  C      -7.945420     -4.482457      6.803750
  C      -8.327249     -5.664144      4.527701
  C      -7.429016     -4.917565      3.481298
  C      -7.993240     -5.254198      2.079852
  C      -7.552697     -3.396852      3.628034
  C      -2.927217     -6.162156      8.958536
  C      -2.722117     -6.362780      7.647383
  C      -3.666032     -7.195340      6.827437
  C      -1.520910     -5.777090      6.949658
  C      -1.773844     -4.548048      6.004967
  C      -0.394682     -3.983439      5.592570
  C      -2.461011     -3.466414      6.832654
  H      -0.784316      1.159316      0.675452
  H      -1.848990     -0.089155     -0.205420
  H      -1.105632     -0.254539      3.922427
  H      -0.065490      0.801276      2.924217
  H       0.332509     -0.922451      3.155130
  H      -1.529821     -2.564265      2.572665
  H      -1.943494     -2.395912      0.858146
  H      -4.075248     -0.059565      1.150325
  H      -5.436825     -1.167776      1.463771
  H      -4.258084     -1.527535      0.177119
  H      -4.757869     -1.123198      3.868507
  H      -3.113469     -1.572207      4.366010
  H      -3.384587     -0.072146      3.434243
  H      -7.301136     -7.777248      5.873813
  H      -7.045888     -6.928483      7.511933
  H      -8.920130     -3.985148      6.678142
  H      -7.165669     -3.761723      6.513408
  H      -7.802512     -4.718013      7.867178
  H      -8.464424     -6.698759      4.176346
  H      -9.325190     -5.192524      4.490462
  H      -7.946854     -6.328826      1.855873
  H      -7.422529     -4.713664      1.311007
  H      -9.048066     -4.947289      2.008128
  H      -8.605438     -3.103091      3.505580
  H      -7.195191     -3.038632      4.596134
  H      -6.959626     -2.896588      2.848134
  H      -3.789710     -6.593128      9.471816
  H      -2.241998     -5.557590      9.556782
  H      -4.153350     -6.579860      6.055668
  H      -3.121570     -7.992345      6.293942
  H      -4.446198     -7.655192      7.448380
  H      -0.798743     -5.440223      7.708954
  H      -1.016567     -6.572011      6.374942
  H       0.253778     -4.740588      5.131692
  H       0.128383     -3.591054      6.476198
  H      -0.531077     -3.159723      4.876265
  H      -3.462920     -3.770333      7.151188
  H      -1.853250     -3.270629      7.728320
  H      -2.547920     -2.533131      6.261400
  N      -4.955378     -3.322667      5.383042
  H      -5.195938     -2.426595      5.818357
85
Coordinates from ORCA-job orca E -5421.402161488139
  N      -3.992365     -3.270591      2.373349
  C      -4.024311     -4.022372      1.113966
  C      -3.185873     -5.286289      1.243989
  N      -3.658856     -6.025569      2.426168
  C      -4.834203     -6.870322      2.136128
  C      -5.783067     -6.758268      3.319244
  N      -6.020541     -5.344432      3.575170
  Mo     -4.329290     -4.310774      4.047592
  N      -2.536009     -4.933649      4.777662
  C      -1.736899     -5.806428      3.909769
  C      -2.605806     -6.768148      3.128352
  H      -1.021709     -6.412642      4.489547
  H      -1.120751     -5.209667      3.207624
  H      -3.101243     -7.457506      3.826414
  H      -1.995312     -7.369627      2.425818
  H      -6.712175     -7.307118      3.098968
  H      -5.344430     -7.258288      4.203073
  H      -5.336179     -6.473406      1.243523
  H      -4.523575     -7.910687      1.924054
  H      -3.645723     -3.431932      0.266231
  H      -5.065915     -4.299882      0.864142
  H      -2.137196     -5.000620      1.404673
  H      -3.238300     -5.914159      0.334284
  C      -1.309766      0.203406      0.699697
  C      -1.289311     -0.581251      1.788474
  C      -0.494790     -0.206519      3.010509
  C      -2.019201     -1.902999      1.839458
  C      -3.536343     -1.865032      2.240111
  C      -4.372594     -1.115476      1.186752
  C      -3.705422     -1.115551      3.559915
  C      -7.380541     -6.876260      6.471795
  C      -7.848044     -5.727772      5.959098
  C      -7.939027     -4.489831      6.807373
  C      -8.326409     -5.665649      4.529194
  C      -7.428671     -4.916962      3.483696
  C      -7.993789     -5.250733      2.082002
  C      -7.552686     -3.396508      3.633505
  C      -2.940538     -6.150380      8.954802
  C      -2.728336     -6.357533      7.645804
  C      -3.667537     -7.194808      6.825245
  C      -1.523835     -5.774588      6.951341
  C      -1.772059     -4.546993      6.003420
  C      -0.390715     -3.987629      5.591164
  C      -2.456555     -3.461450      6.828048
  H      -0.784134      1.160443      0.677625
  H      -1.847550     -0.087974     -0.204855
  H      -1.105892     -0.258741      3.923923
  H      -0.069045      0.802471      2.927930
  H       0.333924     -0.920586      3.154524
  H      -1.529999     -2.564329      2.572602
  H      -1.942718     -2.395325      0.857863
  H      -4.075081     -0.059468      1.148957
  H      -5.436360     -1.168596      1.460906
  H      -4.255971     -1.527249      0.175343
  H      -4.759225     -1.123203      3.866787
  H      -3.115131     -1.571689      4.365357
  H      -3.386008     -0.071746      3.433285
  H      -7.305646     -7.784642      5.870158
  H      -7.046704     -6.940016      7.509812
  H      -8.912496     -3.989596      6.683729
  H      -7.157501     -3.770546      6.517964
  H      -7.795687     -4.728202      7.870145
  H      -8.464630     -6.699336      4.175517
  H      -9.324134     -5.193346      4.494237
  H      -7.945540     -6.324593      1.854687
  H      -7.424965     -4.706904      1.314063
  H      -9.049293     -4.945704      2.012438
  H      -8.605253     -3.102682      3.509879
  H      -7.196892     -3.040269      4.602945
  H      -6.958319     -2.894683      2.855616
  H      -3.805609     -6.579181      9.465562
  H      -2.258990     -5.542361      9.553729
  H      -4.154613     -6.582878      6.050498
  H      -3.119177     -7.991774      6.295713
  H      -4.448213     -7.654927      7.445330
  H      -0.804092     -5.436746      7.712515
  H      -1.018108     -6.571226      6.380215
  H       0.255985     -4.748318      5.133701
  H       0.132363     -3.594034      6.474262
  H      -0.523438     -3.165768      4.872026
  H      -3.458764     -3.762720      7.148139
  H      -1.847686     -3.263984      7.722599
  H      -2.542007     -2.529773      6.253978
  N      -4.953935     -3.322661      5.382782
  H      -5.194271     -2.426355      5.817731
85
Coordinates from ORCA-job orca E -5421.402163061181
  N      -3.991951     -3.270689      2.373535
  C      -4.024232     -4.022483      1.114126
  C      -3.185926     -5.286539      1.244304
  N      -3.658878     -6.025634      2.426611
  C      -4.834155     -6.870572      2.136689
  C      -5.782970     -6.758160      3.319847
  N      -6.020561     -5.344101      3.575102
  Mo     -4.329447     -4.310598      4.047879
  N      -2.536317     -4.933844      4.778188
  C      -1.737101     -5.806241      3.910193
  C      -2.605685     -6.768115      3.128863
  H      -1.021496     -6.412120      4.489788
  H      -1.121372     -5.209199      3.207932
  H      -3.100979     -7.457522      3.827015
  H      -1.995089     -7.369473      2.426378
  H      -6.712022     -7.307331      3.100267
  H      -5.343862     -7.257643      4.203733
  H      -5.336109     -6.474022      1.243935
  H      -4.523369     -7.910971      1.925004
  H      -3.645487     -3.432355      0.266269
  H      -5.065935     -4.299588      0.864313
  H      -2.137175     -5.001080      1.404875
  H      -3.238528     -5.914501      0.334704
  C      -1.309654      0.203095      0.699213
  C      -1.289134     -0.581266      1.788124
  C      -0.494934     -0.206108      3.010207
  C      -2.019093     -1.902925      1.839352
  C      -3.536201     -1.865125      2.240106
  C      -4.372492     -1.115542      1.186739
  C      -3.705034     -1.115455      3.559827
  C      -7.380503     -6.874820      6.472143
  C      -7.848690     -5.726880      5.958920
  C      -7.941170     -4.488745      6.806695
  C      -8.326733     -5.665328      4.528994
  C      -7.428809     -4.916702      3.483639
  C      -7.993881     -5.250653      2.081817
  C      -7.552916     -3.396276      3.633260
  C      -2.938864     -6.153039      8.954773
  C      -2.726934     -6.359078      7.645540
  C      -3.665888     -7.196327      6.824698
  C      -1.523079     -5.774940      6.951044
  C      -1.772252     -4.547096      6.003667
  C      -0.391425     -3.986600      5.591218
  C      -2.457372     -3.462119      6.828678
  H      -0.783985      1.160107      0.676893
  H      -1.847462     -0.088506     -0.205251
  H      -1.106570     -0.256759      3.923344
  H      -0.068106      0.802351      2.926774
  H       0.332931     -0.920872      3.155466
  H      -1.529775     -2.564010      2.572656
  H      -1.942641     -2.395570      0.857980
  H      -4.074407     -0.059690      1.148308
  H      -5.436184     -1.167838      1.461291
  H      -4.256552     -1.527955      0.175540
  H      -4.758796     -1.122894      3.866728
  H      -3.114791     -1.571726      4.365228
  H      -3.385386     -0.071747      3.433182
  H      -7.304669     -7.783273      5.870781
  H      -7.046820     -6.937975      7.510204
  H      -8.915564     -3.990247      6.683197
  H      -7.161007     -3.768271      6.516690
  H      -7.797102     -4.726332      7.869505
  H      -8.464728     -6.699010      4.175311
  H      -9.324372     -5.192993      4.493658
  H      -7.946442     -6.324646      1.854926
  H      -7.424595     -4.707517      1.313712
  H      -9.049139     -4.944850      2.011974
  H      -8.605567     -3.102634      3.510003
  H      -7.196742     -3.039774      4.602484
  H      -6.958923     -2.894553      2.855018
  H      -3.803465     -6.582780      9.465519
  H      -2.257398     -5.545142      9.553923
  H      -4.152924     -6.584160      6.050094
  H      -3.117424     -7.993134      6.295036
  H      -4.446571     -7.656672      7.444582
  H      -0.803327     -5.437018      7.712165
  H      -1.017063     -6.571002      6.379371
  H       0.255629     -4.746563      5.132984
  H       0.131709     -3.593200      6.474324
  H      -0.525011     -3.164365      4.872617
  H      -3.459506     -3.763880      7.148545
  H      -1.848793     -3.264764      7.723457
  H      -2.543098     -2.530181      6.255056
  N      -4.953995     -3.321949      5.382727
  H      -5.194366     -2.425411      5.817149
85
Coordinates from ORCA-job orca E -5421.402168104461
  N      -3.990020     -3.270983      2.374130
  C      -4.023351     -4.022667      1.114611
  C      -3.185827     -5.287296      1.245279
  N      -3.659219     -6.025890      2.427717
  C      -4.834399     -6.871076      2.137611
  C      -5.783274     -6.757402      3.320735
  N      -6.020844     -5.342671      3.573745
  Mo     -4.330112     -4.310317      4.048546
  N      -2.537650     -4.935304      4.779932
  C      -1.738257     -5.806912      3.911703
  C      -2.606017     -6.768687      3.130050
  H      -1.021803     -6.412199      4.490834
  H      -1.123217     -5.209233      3.209359
  H      -3.101270     -7.458322      3.828062
  H      -1.995215     -7.369624      2.427529
  H      -6.712280     -7.307429      3.103360
  H      -5.342749     -7.255231      4.204819
  H      -5.335914     -6.475463      1.244242
  H      -4.523260     -7.911618      1.927219
  H      -3.643700     -3.433578      0.266459
  H      -5.065392     -4.298144      0.864531
  H      -2.136856     -5.002728      1.405936
  H      -3.238770     -5.915406      0.335859
  C      -1.310159      0.203781      0.697824
  C      -1.288627     -0.580546      1.786599
  C      -0.494336     -0.204972      3.008437
  C      -2.018845     -1.901957      1.838248
  C      -3.535672     -1.865266      2.240355
  C      -4.372801     -1.115355      1.187849
  C      -3.703228     -1.115584      3.560229
  C      -7.380340     -6.873309      6.471229
  C      -7.849759     -5.726171      5.957439
  C      -7.945539     -4.488128      6.804884
  C      -8.327555     -5.664871      4.527627
  C      -7.429315     -4.915677      3.482920
  C      -7.994170     -5.249863      2.080697
  C      -7.554175     -3.395365      3.632284
  C      -2.934314     -6.157249      8.956153
  C      -2.723460     -6.361870      7.646492
  C      -3.662234     -7.199853      6.826192
  C      -1.521262     -5.775630      6.951059
  C      -1.772829     -4.547728      6.004383
  C      -0.393424     -3.984630      5.590840
  C      -2.459042     -3.463754      6.830183
  H      -0.784119      1.160590      0.674956
  H      -1.848856     -0.087738     -0.206131
  H      -1.107277     -0.249719      3.920977
  H      -0.062735      0.801187      2.921973
  H       0.329934     -0.923059      3.157369
  H      -1.528559     -2.562712      2.571262
  H      -1.943090     -2.395103      0.857180
  H      -4.072157     -0.060296      1.146679
  H      -5.435980     -1.164099      1.465027
  H      -4.260701     -1.530233      0.177275
  H      -4.756767     -1.122569      3.867767
  H      -3.112787     -1.572609      4.365072
  H      -3.382999     -0.072076      3.433941
  H      -7.302614     -7.781611      5.869943
  H      -7.046651     -6.935693      7.509264
  H      -8.923231     -3.995334      6.684108
  H      -7.170441     -3.763368      6.512270
  H      -7.797166     -4.724117      7.867406
  H      -8.465465     -6.698145      4.172927
  H      -9.324719     -5.191797      4.492086
  H      -7.949564     -6.324284      1.855144
  H      -7.423194     -4.709048      1.312206
  H      -9.048556     -4.941271      2.009910
  H      -8.607217     -3.102658      3.510461
  H      -7.196713     -3.038044      4.600736
  H      -6.961709     -2.893643      2.852868
  H      -3.797627     -6.588735      9.467557
  H      -2.252685     -5.549282      9.555070
  H      -4.149095     -6.587833      6.051342
  H      -3.113937     -7.997229      6.297217
  H      -4.443048     -7.659570      7.446361
  H      -0.801131     -5.437193      7.711590
  H      -1.014899     -6.570757      6.378393
  H       0.254161     -4.742832      5.130330
  H       0.130332     -3.591781      6.473738
  H      -0.529402     -3.161457      4.873688
  H      -3.461104     -3.766255      7.149541
  H      -1.851146     -3.266870      7.725574
  H      -2.544932     -2.531156      6.257680
  N      -4.954032     -3.319662      5.382290
  H      -5.194343     -2.421876      5.814120
85
Coordinates from ORCA-job orca E -5421.402171226165
  N      -3.988441     -3.271184      2.374458
  C      -4.021997     -4.023160      1.115110
  C      -3.185149     -5.288124      1.246478
  N      -3.659551     -6.026311      2.428794
  C      -4.834998     -6.871043      2.138029
  C      -5.784088     -6.756608      3.320893
  N      -6.021015     -5.341581      3.573085
  Mo     -4.330153     -4.310315      4.048888
  N      -2.538280     -4.936526      4.781245
  C      -1.739063     -5.808741      3.913509
  C      -2.606975     -6.769940      3.131308
  H      -1.023141     -6.414367      4.492957
  H      -1.123230     -5.211556      3.211376
  H      -3.102799     -7.459499      3.828999
  H      -1.996305     -7.370951      2.428763
  H      -6.713259     -7.306618      3.104294
  H      -5.343270     -7.253984      4.205086
  H      -5.335861     -6.475409      1.244311
  H      -4.524079     -7.911734      1.928124
  H      -3.641537     -3.434751      0.266818
  H      -5.064167     -4.297792      0.864641
  H      -2.136164     -5.004015      1.407843
  H      -3.237711     -5.916397      0.337139
  C      -1.310847      0.204858      0.696254
  C      -1.288650     -0.579373      1.785161
  C      -0.494587     -0.203021      3.006891
  C      -2.018471     -1.900926      1.837264
  C      -3.535328     -1.865309      2.239981
  C      -4.373073     -1.116178      1.187469
  C      -3.702609     -1.114916      3.559452
  C      -7.381147     -6.875594      6.469178
  C      -7.849541     -5.727409      5.956798
  C      -7.944649     -4.490365      6.805807
  C      -8.327971     -5.664008      4.527304
  C      -7.429366     -4.914250      3.483193
  C      -7.994467     -5.247166      2.080646
  C      -7.553758     -3.394053      3.633637
  C      -2.936996     -6.156802      8.955480
  C      -2.723090     -6.362796      7.646525
  C      -3.658521     -7.203999      6.825647
  C      -1.520902     -5.774931      6.952537
  C      -1.773067     -4.547764      6.005069
  C      -0.394046     -3.984305      5.590767
  C      -2.459617     -3.463445      6.830190
  H      -0.784951      1.161734      0.673000
  H      -1.849811     -0.086938     -0.207452
  H      -1.108510     -0.243880      3.918968
  H      -0.060133      0.801721      2.918327
  H       0.327566     -0.922989      3.158497
  H      -1.527525     -2.561192      2.570311
  H      -1.942757     -2.394529      0.856433
  H      -4.070635     -0.061739      1.143449
  H      -5.435865     -1.162285      1.466644
  H      -4.263717     -1.533618      0.177635
  H      -4.756133     -1.121528      3.867035
  H      -3.112305     -1.571837      4.364456
  H      -3.382073     -0.071558      3.432791
  H      -7.304462     -7.783247      5.866780
  H      -7.047007     -6.939447      7.506970
  H      -8.923873     -3.999660      6.688681
  H      -7.172167     -3.763524      6.511607
  H      -7.792495     -4.727061      7.867631
  H      -8.467294     -6.696525      4.171094
  H      -9.324370     -5.189280      4.492822
  H      -7.952044     -6.321689      1.855097
  H      -7.422229     -4.707433      1.312338
  H      -9.048203     -4.936355      2.009616
  H      -8.606794     -3.101080      3.512393
  H      -7.195810     -3.037352      4.602140
  H      -6.961475     -2.892039      2.854244
  H      -3.800350     -6.589471      9.465811
  H      -2.257692     -5.546755      9.554918
  H      -4.145216     -6.593930      6.049144
  H      -3.107659     -8.001112      6.298990
  H      -4.439621     -7.664235      7.445071
  H      -0.802186     -5.435195      7.713820
  H      -1.012706     -6.569452      6.380679
  H       0.253577     -4.742311      5.129982
  H       0.129989     -3.591115      6.473353
  H      -0.530695     -3.161278      4.873568
  H      -3.461722     -3.765853      7.149498
  H      -1.852035     -3.266104      7.725705
  H      -2.545305     -2.531006      6.257404
  N      -4.953910     -3.318535      5.382003
  H      -5.194164     -2.420075      5.812513
85
Coordinates from ORCA-job orca E -5421.402172783961
  N      -3.987542     -3.271070      2.374225
  C      -4.020794     -4.023112      1.114955
  C      -3.184363     -5.288275      1.246827
  N      -3.659745     -6.026352      2.428866
  C      -4.835429     -6.870559      2.137265
  C      -5.784719     -6.756011      3.319906
  N      -6.021182     -5.340895      3.572103
  Mo     -4.330046     -4.310345      4.048548
  N      -2.538630     -4.937373      4.781557
  C      -1.739689     -5.810538      3.914505
  C      -2.607864     -6.770909      3.131482
  H      -1.024738     -6.416806      4.494539
  H      -1.122652     -5.214056      3.212796
  H      -3.104347     -7.460654      3.828495
  H      -1.997214     -7.371796      2.428817
  H      -6.714043     -7.305775      3.103373
  H      -5.343947     -7.253507      4.204068
  H      -5.335729     -6.474524      1.243410
  H      -4.524736     -7.911305      1.927354
  H      -3.639617     -3.435018      0.266745
  H      -5.062943     -4.297307      0.863888
  H      -2.135456     -5.004327      1.409005
  H      -3.236339     -5.916603      0.337483
  C      -1.310915      0.206382      0.696001
  C      -1.288369     -0.578456      1.784552
  C      -0.494345     -0.202400      3.006384
  C      -2.018237     -1.899968      1.836304
  C      -3.535072     -1.865055      2.239796
  C      -4.373447     -1.115707      1.187949
  C      -3.701714     -1.114929      3.559498
  C      -7.380789     -6.879455      6.467187
  C      -7.848059     -5.730102      5.956373
  C      -7.941379     -4.493966      6.806914
  C      -8.327701     -5.664742      4.527316
  C      -7.429687     -4.913881      3.483466
  C      -7.995007     -5.246001      2.080797
  C      -7.554650     -3.393869      3.635056
  C      -2.940668     -6.151984      8.955549
  C      -2.724950     -6.360863      7.647349
  C      -3.659140     -7.204204      6.827221
  C      -1.521977     -5.774136      6.953720
  C      -1.772985     -4.547835      6.004917
  C      -0.393531     -3.986080      5.589903
  C      -2.458508     -3.462030      6.828945
  H      -0.784901      1.163206      0.673016
  H      -1.850147     -0.084960     -0.207690
  H      -1.109135     -0.240371      3.918030
  H      -0.057294      0.801117      2.916714
  H       0.325830     -0.924242      3.159779
  H      -1.526880     -2.560497      2.568845
  H      -1.942854     -2.393263      0.855284
  H      -4.069286     -0.061837      1.142255
  H      -5.435852     -1.159648      1.469008
  H      -4.266710     -1.534529      0.178408
  H      -4.755096     -1.121574      3.867609
  H      -3.111082     -1.572089      4.364139
  H      -3.381174     -0.071566      3.432903
  H      -7.305658     -7.786558      5.863761
  H      -7.045919     -6.944793      7.504653
  H      -8.921374     -4.003964      6.693198
  H      -7.170341     -3.766248      6.511207
  H      -7.785978     -4.731676      7.868033
  H      -8.467965     -6.696686      4.169919
  H      -9.323782     -5.189209      4.494349
  H      -7.953324     -6.320549      1.855169
  H      -7.422255     -4.706541      1.312695
  H      -9.048517     -4.934382      2.009676
  H      -8.607872     -3.101282      3.514415
  H      -7.196511     -3.037725      4.603668
  H      -6.962904     -2.891035      2.855776
  H      -3.804585     -6.583757      9.465690
  H      -2.262299     -5.540499      9.554574
  H      -4.145838     -6.595759      6.049445
  H      -3.107332     -8.001882      6.302448
  H      -4.440408     -7.663816      7.446918
  H      -0.803838     -5.433808      7.715280
  H      -1.013444     -6.569318      6.383053
  H       0.253184     -4.745031      5.129408
  H       0.131130     -3.592869      6.472118
  H      -0.529554     -3.163359      4.872238
  H      -3.461094     -3.762981      7.148101
  H      -1.851003     -3.264779      7.724549
  H      -2.542761     -2.529871      6.255491
  N      -4.953862     -3.317904      5.381199
  H      -5.195122     -2.419180      5.810618
85
Coordinates from ORCA-job orca E -5421.402175043469
  N      -3.986344     -3.270850      2.373946
  C      -4.018825     -4.023260      1.114919
  C      -3.182831     -5.288550      1.247739
  N      -3.659820     -6.026419      2.429311
  C      -4.836009     -6.869555      2.136409
  C      -5.785605     -6.755263      3.318693
  N      -6.021295     -5.340186      3.571870
  Mo     -4.329458     -4.310296      4.048116
  N      -2.538709     -4.938210      4.782083
  C      -1.740309     -5.813325      3.916433
  C      -2.609207     -6.772394      3.132320
  H      -1.027392     -6.420855      4.497711
  H      -1.120939     -5.218440      3.215390
  H      -3.106891     -7.462215      3.828367
  H      -1.998644     -7.373376      2.429633
  H      -6.715203     -7.304253      3.101454
  H      -5.345448     -7.253653      4.202680
  H      -5.335513     -6.472396      1.242607
  H      -4.525928     -7.910359      1.925884
  H      -3.636749     -3.435479      0.266873
  H      -5.060858     -4.297243      0.863018
  H      -2.134148     -5.004556      1.411330
  H      -3.233633     -5.917030      0.338414
  C      -1.311682      0.208338      0.695047
  C      -1.288287     -0.576945      1.783402
  C      -0.493678     -0.200881      3.004848
  C      -2.017712     -1.898636      1.835246
  C      -3.534743     -1.864628      2.239095
  C      -4.373712     -1.116128      1.187142
  C      -3.701510     -1.114072      3.558522
  C      -7.380807     -6.884901      6.465068
  C      -7.846133     -5.733576      5.956889
  C      -7.936250     -4.498950      6.809961
  C      -8.327313     -5.665064      4.528391
  C      -7.429901     -4.913072      3.484839
  C      -7.995830     -5.243316      2.082008
  C      -7.554620     -3.393299      3.638584
  C      -2.950222     -6.145771      8.953332
  C      -2.728565     -6.359091      7.646843
  C      -3.657732     -7.207237      6.825944
  C      -1.523860     -5.772486      6.956110
  C      -1.772887     -4.547513      6.005103
  C      -0.392514     -3.988294      5.589762
  C      -2.457310     -3.459518      6.827062
  H      -0.785776      1.165214      0.671987
  H      -1.851441     -0.082820     -0.208392
  H      -1.108905     -0.235592      3.916353
  H      -0.054056      0.801371      2.913587
  H       0.324568     -0.924565      3.159896
  H      -1.525939     -2.559046      2.567622
  H      -1.942221     -2.391873      0.854187
  H      -4.068002     -0.062806      1.138946
  H      -5.435753     -1.157916      1.469955
  H      -4.269383     -1.537110      0.178229
  H      -4.754867     -1.120864      3.866749
  H      -3.110681     -1.570668      4.363342
  H      -3.381316     -0.070664      3.431351
  H      -7.308399     -7.791084      5.859924
  H      -7.044967     -6.952834      7.502064
  H      -8.916512     -4.008526      6.700345
  H      -7.165960     -3.770927      6.513128
  H      -7.777500     -4.738829      7.870095
  H      -8.469229     -6.696258      4.169567
  H      -9.322925     -5.188327      4.497529
  H      -7.955025     -6.317719      1.855542
  H      -7.422511     -4.703676      1.314459
  H      -9.049075     -4.930728      2.011119
  H      -8.607779     -3.100331      3.518171
  H      -7.196661     -3.038728      4.607829
  H      -6.962668     -2.889388      2.860146
  H      -3.815519     -6.577282      9.461373
  H      -2.275613     -5.530793      9.553012
  H      -4.144539     -6.601996      6.045726
  H      -3.101869     -8.004207      6.304439
  H      -4.439198     -7.667971      7.444558
  H      -0.808265     -5.430609      7.719366
  H      -1.012988     -6.567937      6.387921
  H       0.253319     -4.748828      5.130693
  H       0.132346     -3.594486      6.471627
  H      -0.527109     -3.166444      4.870829
  H      -3.460448     -3.758674      7.146150
  H      -1.849880     -3.261643      7.722585
  H      -2.540003     -2.528141      6.252096
  N      -4.953504     -3.317144      5.380243
  H      -5.195418     -2.418065      5.808611
85
Coordinates from ORCA-job orca E -5421.402176155911
  N      -3.986158     -3.270587      2.373459
  C      -4.018064     -4.023013      1.114460
  C      -3.182107     -5.288292      1.247630
  N      -3.659759     -6.026201      2.428912
  C      -4.836185     -6.868785      2.135439
  C      -5.785763     -6.755158      3.317730
  N      -6.021322     -5.340215      3.572008
  Mo     -4.329091     -4.310242      4.047501
  N      -2.538664     -4.938411      4.781777
  C      -1.740566     -5.814573      3.916907
  C      -2.609767     -6.772857      3.132124
  H      -1.028856     -6.422840      4.498937
  H      -1.119898     -5.220549      3.216288
  H      -3.108054     -7.462933      3.827453
  H      -1.999085     -7.373700      2.429399
  H      -6.715465     -7.303663      3.099744
  H      -5.346011     -7.254363      4.201464
  H      -5.335564     -6.470778      1.241941
  H      -4.526411     -7.909522      1.924100
  H      -3.635605     -3.435186      0.266623
  H      -5.059968     -4.297073      0.862031
  H      -2.133579     -5.004122      1.411920
  H      -3.232296     -5.916788      0.338277
  C      -1.311340      0.209142      0.695357
  C      -1.288012     -0.576553      1.783438
  C      -0.493618     -0.200748      3.005098
  C      -2.017445     -1.898246      1.834892
  C      -3.534512     -1.864301      2.238755
  C      -4.373599     -1.115690      1.186967
  C      -3.701051     -1.113848      3.558279
  C      -7.380046     -6.887640      6.465018
  C      -7.844707     -5.735654      5.957687
  C      -7.933045     -4.501364      6.811399
  C      -8.326666     -5.666269      4.529420
  C      -7.430168     -4.913425      3.485822
  C      -7.996392     -5.242975      2.083007
  C      -7.555330     -3.393808      3.640632
  C      -2.955683     -6.141183      8.952111
  C      -2.731437     -6.357136      7.646500
  C      -3.658854     -7.207132      6.825541
  C      -1.525481     -5.771650      6.956944
  C      -1.772769     -4.547352      6.004649
  C      -0.391595     -3.990224      5.589231
  C      -2.456092     -3.457778      6.825412
  H      -0.785414      1.166014      0.672670
  H      -1.851034     -0.081686     -0.208228
  H      -1.109584     -0.233805      3.916204
  H      -0.052611      0.800858      2.913420
  H       0.323466     -0.925469      3.161334
  H      -1.525769     -2.558887      2.567108
  H      -1.941829     -2.391172      0.853669
  H      -4.067389     -0.062533      1.138378
  H      -5.435540     -1.156909      1.470260
  H      -4.270018     -1.536952      0.178094
  H      -4.754276     -1.120904      3.866951
  H      -3.109694     -1.570091      4.362913
  H      -3.381297     -0.070319      3.430829
  H      -7.308773     -7.793624      5.859430
  H      -7.043679     -6.956320      7.501805
  H      -8.912795     -4.009755      6.702587
  H      -7.161986     -3.774183      6.514424
  H      -7.773938     -4.742079      7.871296
  H      -8.468590     -6.697384      4.170338
  H      -9.322530     -5.189940      4.499464
  H      -7.955183     -6.317222      1.855916
  H      -7.423303     -4.702655      1.315766
  H      -9.049763     -4.930756      2.012434
  H      -8.608561     -3.101015      3.520384
  H      -7.197580     -3.039957      4.610201
  H      -6.963483     -2.889102      2.862631
  H      -3.821920     -6.571814      9.459308
  H      -2.282474     -5.524770      9.551884
  H      -4.145810     -6.603249      6.044365
  H      -3.101536     -8.003912      6.305310
  H      -4.440331     -7.668206      7.443898
  H      -0.810935     -5.429235      7.720941
  H      -1.013928     -6.567742      6.390252
  H       0.253459     -4.752026      5.131183
  H       0.133445     -3.596215      6.470910
  H      -0.524910     -3.168907      4.869453
  H      -3.459652     -3.755513      7.144487
  H      -1.848559     -3.259681      7.720808
  H      -2.537660     -2.526913      6.249442
  N      -4.953219     -3.316874      5.379455
  H      -5.195439     -2.417522      5.807098
85
Coordinates from ORCA-job orca E -5421.402178763164
  N      -3.985721     -3.270048      2.372613
  C      -4.016665     -4.022433      1.113616
  C      -3.180843     -5.287762      1.247370
  N      -3.659569     -6.025621      2.428216
  C      -4.836420     -6.867251      2.134024
  C      -5.785791     -6.754994      3.316493
  N      -6.021325     -5.340324      3.572892
  Mo     -4.328573     -4.309824      4.046509
  N      -2.538932     -4.938541      4.781602
  C      -1.741153     -5.816135      3.917907
  C      -2.610604     -6.773239      3.131964
  H      -1.031325     -6.425492      4.501140
  H      -1.118525     -5.223339      3.218009
  H      -3.109868     -7.463882      3.825975
  H      -1.999471     -7.373710      2.429279
  H      -6.715631     -7.302673      3.097102
  H      -5.346725     -7.255697      4.199710
  H      -5.335890     -6.467646      1.241285
  H      -4.527250     -7.907827      1.920920
  H      -3.633549     -3.434478      0.266175
  H      -5.058344     -4.296573      0.860259
  H      -2.132514     -5.003444      1.412712
  H      -3.230226     -5.916282      0.337988
  C      -1.311240      0.209915      0.695109
  C      -1.287384     -0.575917      1.783066
  C      -0.492191     -0.200171      3.004230
  C      -2.016750     -1.897670      1.834784
  C      -3.533990     -1.863662      2.238075
  C      -4.372961     -1.115339      1.186007
  C      -3.700932     -1.113186      3.557531
  C      -7.378668     -6.890600      6.466131
  C      -7.842858     -5.738103      5.959498
  C      -7.929202     -4.503957      6.813578
  C      -8.325523     -5.668200      4.531388
  C      -7.430585     -4.914000      3.487765
  C      -7.997270     -5.242313      2.084943
  C      -7.556326     -3.394614      3.644240
  C      -2.963847     -6.136782      8.949891
  C      -2.735411     -6.355598      7.645490
  C      -3.659396     -7.208588      6.823760
  C      -1.527864     -5.770575      6.958242
  C      -1.773198     -4.547084      6.004420
  C      -0.391086     -3.992161      5.589230
  C      -2.455479     -3.455792      6.823792
  H      -0.785081      1.166652      0.672225
  H      -1.851540     -0.080659     -0.208200
  H      -1.108865     -0.228885      3.915040
  H      -0.048059      0.799875      2.910623
  H       0.322318     -0.927228      3.162750
  H      -1.525396     -2.558126      2.567348
  H      -1.940576     -2.390755      0.853670
  H      -4.066830     -0.062173      1.137267
  H      -5.434935     -1.156667      1.469162
  H      -4.269307     -1.536783      0.177225
  H      -4.754036     -1.121051      3.866573
  H      -3.108662     -1.568318      4.362118
  H      -3.382410     -0.069338      3.429439
  H      -7.308349     -7.796460      5.860236
  H      -7.041798     -6.959822      7.502735
  H      -8.907536     -4.009775      6.703937
  H      -7.155778     -3.778816      6.517604
  H      -7.771764     -4.745680      7.873508
  H      -8.466479     -6.699487      4.172300
  H      -9.322234     -5.193508      4.502231
  H      -7.955394     -6.316235      1.856530
  H      -7.424643     -4.700660      1.318297
  H      -9.050859     -4.930747      2.015019
  H      -8.609664     -3.102027      3.524408
  H      -7.198691     -3.041897      4.614232
  H      -6.964718     -2.888725      2.866828
  H      -3.831216     -6.567128      9.455408
  H      -2.293295     -5.518097      9.550296
  H      -4.147151     -6.606593      6.041641
  H      -3.099101     -8.004070      6.304748
  H      -4.440375     -7.671526      7.441355
  H      -0.815383     -5.427014      7.723657
  H      -1.014464     -6.567085      6.393803
  H       0.253267     -4.755345      5.132511
  H       0.133933     -3.597903      6.470813
  H      -0.522829     -3.171448      4.868473
  H      -3.459426     -3.752156      7.142936
  H      -1.847756     -3.257071      7.718901
  H      -2.536206     -2.525689      6.246450
  N      -4.953082     -3.316085      5.378069
  H      -5.195258     -2.416001      5.804262
85
Coordinates from ORCA-job orca E -5421.402180270590
  N      -3.985453     -3.269803      2.372233
  C      -4.016136     -4.022117      1.113168
  C      -3.180409     -5.287510      1.247102
  N      -3.659511     -6.025314      2.427768
  C      -4.836555     -6.866526      2.133463
  C      -5.785584     -6.755064      3.316257
  N      -6.021240     -5.340547      3.573676
  Mo     -4.328408     -4.309634      4.046035
  N      -2.539239     -4.938739      4.781540
  C      -1.741529     -5.816807      3.918282
  C      -2.610969     -6.773348      3.131735
  H      -1.032467     -6.426607      4.501995
  H      -1.118107     -5.224423      3.218757
  H      -3.110632     -7.464316      3.825116
  H      -1.999584     -7.373581      2.429060
  H      -6.715432     -7.302500      3.096336
  H      -5.346611     -7.256412      4.199137
  H      -5.336409     -6.466110      1.241300
  H      -4.527657     -7.906973      1.919269
  H      -3.632727     -3.434149      0.265877
  H      -5.057761     -4.296138      0.859444
  H      -2.132124     -5.003259      1.412850
  H      -3.229577     -5.915992      0.337678
  C      -1.310529      0.209473      0.694530
  C      -1.286912     -0.575875      1.782795
  C      -0.492334     -0.199353      3.004109
  C      -2.016290     -1.897651      1.834940
  C      -3.533526     -1.863397      2.237750
  C      -4.372268     -1.115062      1.185523
  C      -3.700478     -1.112755      3.557101
  C      -7.377717     -6.891442      6.467391
  C      -7.842055     -5.739077      5.960586
  C      -7.927954     -4.504679      6.814356
  C      -8.324863     -5.669436      4.532495
  C      -7.430675     -4.914428      3.488984
  C      -7.997609     -5.241971      2.086100
  C      -7.556781     -3.395163      3.646316
  C      -2.967510     -6.135778      8.948585
  C      -2.737106     -6.355302      7.644655
  C      -3.659520     -7.209311      6.822184
  C      -1.528888     -5.770137      6.958680
  C      -1.773574     -4.547006      6.004239
  C      -0.391180     -3.992685      5.589165
  C      -2.455623     -3.455156      6.823121
  H      -0.784294      1.166157      0.671368
  H      -1.850671     -0.081411     -0.208774
  H      -1.110406     -0.224207      3.914136
  H      -0.045733      0.799428      2.908789
  H       0.320077     -0.928055      3.165621
  H      -1.525218     -2.557733      2.568005
  H      -1.939664     -2.391159      0.854071
  H      -4.066635     -0.061738      1.137257
  H      -5.434360     -1.156978      1.468153
  H      -4.267957     -1.536127      0.176655
  H      -4.753487     -1.120913      3.866409
  H      -3.107678     -1.567281      4.361636
  H      -3.382509     -0.068771      3.428623
  H      -7.307321     -7.797431      5.861696
  H      -7.040746     -6.960411      7.503983
  H      -8.905353     -4.009033      6.703100
  H      -7.152922     -3.780755      6.519465
  H      -7.772525     -4.746482      7.874576
  H      -8.464773     -6.700887      4.173405
  H      -9.322181     -5.195994      4.503417
  H      -7.955400     -6.315665      1.856684
  H      -7.425443     -4.699401      1.319751
  H      -9.051340     -4.930775      2.016799
  H      -8.610220     -3.102796      3.526881
  H      -7.199026     -3.042932      4.616427
  H      -6.965434     -2.888699      2.869073
  H      -3.835382     -6.566264      9.453116
  H      -2.298201     -5.516311      9.549563
  H      -4.147478     -6.607863      6.039780
  H      -3.097892     -8.004098      6.303549
  H      -4.440368     -7.673231      7.439204
  H      -0.817502     -5.425919      7.724820
  H      -1.014392     -6.566725      6.395356
  H       0.253026     -4.756305      5.132959
  H       0.133759     -3.598248      6.470712
  H      -0.522430     -3.172229      4.868023
  H      -3.459520     -3.751287      7.142649
  H      -1.847642     -3.255804      7.717896
  H      -2.536562     -2.525478      6.245140
  N      -4.952913     -3.315580      5.377435
  H      -5.194473     -2.414661      5.802265
85
Coordinates from ORCA-job orca E -5421.402182421153
  N      -3.984953     -3.269217      2.371927
  C      -4.015491     -4.021352      1.112723
  C      -3.180041     -5.286939      1.246777
  N      -3.659646     -6.024596      2.427261
  C      -4.836859     -6.865388      2.132865
  C      -5.785463     -6.754827      3.316093
  N      -6.021375     -5.340475      3.574416
  Mo     -4.328704     -4.309005      4.045587
  N      -2.540350     -4.938860      4.781883
  C      -1.742444     -5.817096      3.918993
  C      -2.611575     -6.773068      3.131543
  H      -1.034059     -6.427236      4.503178
  H      -1.118297     -5.224834      3.220025
  H      -3.111659     -7.464515      3.824123
  H      -1.999756     -7.372897      2.428914
  H      -6.715234     -7.302200      3.095720
  H      -5.346409     -7.256720      4.198590
  H      -5.337309     -6.464061      1.241440
  H      -4.528253     -7.905667      1.917363
  H      -3.631735     -3.433430      0.265551
  H      -5.057123     -4.294980      0.858660
  H      -2.131711     -5.003066      1.412906
  H      -3.229199     -5.915313      0.337279
  C      -1.308898      0.207560      0.692569
  C      -1.285568     -0.576181      1.781918
  C      -0.491122     -0.197967      3.002777
  C      -2.015424     -1.897736      1.835732
  C      -3.532727     -1.862838      2.237531
  C      -4.370817     -1.114589      1.184747
  C      -3.700303     -1.112003      3.556686
  C      -7.376204     -6.891973      6.468679
  C      -7.841356     -5.740091      5.961555
  C      -7.927709     -4.505437      6.814966
  C      -8.324290     -5.671019      4.533499
  C      -7.431032     -4.914715      3.490304
  C      -7.998259     -5.241314      2.087298
  C      -7.557905     -3.395610      3.648662
  C      -2.969251     -6.137252      8.947886
  C      -2.737692     -6.356222      7.644076
  C      -3.658455     -7.211442      6.820955
  C      -1.529591     -5.769657      6.959047
  C      -1.774803     -4.546769      6.004436
  C      -0.392675     -3.991858      5.589310
  C      -2.457212     -3.455131      6.823436
  H      -0.781944      1.163815      0.667957
  H      -1.849412     -0.084191     -0.210230
  H      -1.111263     -0.214011      3.911629
  H      -0.038753      0.797780      2.903043
  H       0.316562     -0.930497      3.170160
  H      -1.524862     -2.556826      2.570010
  H      -1.938222     -2.392627      0.855629
  H      -4.066311     -0.060907      1.137583
  H      -5.433223     -1.157878      1.465974
  H      -4.264682     -1.534909      0.175771
  H      -4.753350     -1.120649      3.865805
  H      -3.107177     -1.565852      4.361368
  H      -3.383042     -0.067850      3.427984
  H      -7.304978     -7.798054      5.863240
  H      -7.039192     -6.960407      7.505288
  H      -8.904102     -4.008407      6.701167
  H      -7.150920     -3.782584      6.521938
  H      -7.775334     -4.747216      7.875637
  H      -8.462400     -6.702646      4.174160
  H      -9.322464     -5.199413      4.504381
  H      -7.955728     -6.314709      1.856515
  H      -7.426822     -4.697538      1.321257
  H      -9.052171     -4.930546      2.018919
  H      -8.611622     -3.103867      3.530330
  H      -7.199429     -3.043752      4.618607
  H      -6.967481     -2.888388      2.871204
  H      -3.836901     -6.568985      9.451720
  H      -2.301147     -5.517069      9.549464
  H      -4.147245     -6.610463      6.038738
  H      -3.095302     -8.005055      6.302178
  H      -4.438624     -7.677008      7.437585
  H      -0.819340     -5.424394      7.725774
  H      -1.013441     -6.565825      6.396625
  H       0.251669     -4.755196      5.132799
  H       0.132305     -3.597506      6.470852
  H      -0.524249     -3.171249      4.868390
  H      -3.460637     -3.751948      7.143838
  H      -1.848685     -3.254848      7.717619
  H      -2.539458     -2.525797      6.245121
  N      -4.953512     -3.314428      5.376572
  H      -5.194872     -2.412225      5.798866
85
Coordinates from ORCA-job orca E -5421.402184219204
  N      -3.984590     -3.268725      2.372119
  C      -4.015303     -4.020747      1.112766
  C      -3.180011     -5.286453      1.246685
  N      -3.659846     -6.024119      2.427023
  C      -4.837114     -6.864704      2.132538
  C      -5.785363     -6.754673      3.316123
  N      -6.021434     -5.340434      3.574832
  Mo     -4.329019     -4.308664      4.045493
  N      -2.541193     -4.939082      4.782171
  C      -1.743076     -5.817272      3.919388
  C      -2.612022     -6.772909      3.131357
  H      -1.034987     -6.427592      4.503736
  H      -1.118578     -5.224912      3.220827
  H      -3.112321     -7.464514      3.823628
  H      -2.000097     -7.372605      2.428729
  H      -6.715025     -7.302226      3.095761
  H      -5.345993     -7.256713      4.198361
  H      -5.338021     -6.462816      1.241620
  H      -4.528642     -7.904858      1.916228
  H      -3.631513     -3.432882      0.265569
  H      -5.057025     -4.294035      0.858787
  H      -2.131625     -5.002884      1.412986
  H      -3.229220     -5.914642      0.337061
  C      -1.306887      0.205114      0.690192
  C      -1.284381     -0.576710      1.780886
  C      -0.490956     -0.196386      3.001713
  C      -2.014799     -1.897970      1.836349
  C      -3.532017     -1.862401      2.237664
  C      -4.369690     -1.114055      1.184593
  C      -3.699671     -1.111270      3.556646
  C      -7.375035     -6.892910      6.468943
  C      -7.840847     -5.741257      5.961918
  C      -7.927536     -4.506660      6.815440
  C      -8.324093     -5.672147      4.534023
  C      -7.431165     -4.914871      3.491194
  C      -7.998598     -5.240606      2.088032
  C      -7.558551     -3.395919      3.650527
  C      -2.970197     -6.138546      8.947463
  C      -2.737968     -6.356832      7.643657
  C      -3.657832     -7.212474      6.819927
  C      -1.530008     -5.769186      6.959322
  C      -1.775679     -4.546523      6.004587
  C      -0.393802     -3.990991      5.589430
  C      -2.458550     -3.455190      6.823673
  H      -0.779334      1.160999      0.664116
  H      -1.847303     -0.087838     -0.212276
  H      -1.113641     -0.203540      3.908996
  H      -0.032806      0.796262      2.897621
  H       0.311991     -0.932545      3.175569
  H      -1.524512     -2.556221      2.571553
  H      -1.937440     -2.394078      0.856895
  H      -4.066133     -0.060058      1.138503
  H      -5.432336     -1.158513      1.464724
  H      -4.262062     -1.533527      0.175427
  H      -4.752751     -1.119939      3.865640
  H      -3.106501     -1.564881      4.361433
  H      -3.382514     -0.067115      3.427817
  H      -7.303377     -7.798955      5.863505
  H      -7.037838     -6.961200      7.505497
  H      -8.903460     -4.008983      6.700444
  H      -7.150019     -3.784098      6.523554
  H      -7.776748     -4.748571      7.876304
  H      -8.461458     -6.703646      4.174069
  H      -9.322527     -5.201129      4.505137
  H      -7.955793     -6.313757      1.856129
  H      -7.427838     -4.695839      1.322184
  H      -9.052671     -4.930184      2.020472
  H      -8.612469     -3.104618      3.533000
  H      -7.199594     -3.044486      4.620446
  H      -6.968739     -2.888043      2.873012
  H      -3.837695     -6.571165      9.450797
  H      -2.302764     -5.518135      9.549547
  H      -4.146648     -6.611606      6.037655
  H      -3.093946     -8.005675      6.301318
  H      -4.437978     -7.678626      7.436134
  H      -0.820528     -5.423235      7.726457
  H      -1.012712     -6.565001      6.397451
  H       0.250706     -4.753983      5.132569
  H       0.131179     -3.596705      6.470992
  H      -0.525774     -3.170218      4.868766
  H      -3.461523     -3.752678      7.144881
  H      -1.849589     -3.254158      7.717394
  H      -2.541906     -2.526061      6.245238
  N      -4.953989     -3.313739      5.376267
  H      -5.195385     -2.410376      5.796154
85
Coordinates from ORCA-job orca E -5421.402186375361
  N      -3.984574     -3.267837      2.372585
  C      -4.015599     -4.019795      1.113128
  C      -3.180322     -5.285525      1.246750
  N      -3.660296     -6.023307      2.426968
  C      -4.837487     -6.863883      2.132284
  C      -5.785579     -6.754133      3.316053
  N      -6.021795     -5.339970      3.574788
  Mo     -4.329712     -4.307958      4.045604
  N      -2.542332     -4.938739      4.782504
  C      -1.743858     -5.816712      3.919748
  C      -2.612581     -6.772250      3.131302
  H      -1.035855     -6.427034      4.504186
  H      -1.119248     -5.224052      3.221564
  H      -3.112958     -7.463851      3.823529
  H      -2.000637     -7.371938      2.428718
  H      -6.715099     -7.301993      3.095867
  H      -5.345894     -7.256086      4.198171
  H      -5.338656     -6.461691      1.241651
  H      -4.529007     -7.903942      1.915572
  H      -3.632152     -3.431900      0.265793
  H      -5.057437     -4.292949      0.859593
  H      -2.131884     -5.002177      1.413111
  H      -3.229580     -5.913497      0.336986
  C      -1.303343      0.200915      0.686802
  C      -1.282409     -0.578019      1.779541
  C      -0.489998     -0.195001      3.000139
  C      -2.014071     -1.898587      1.837381
  C      -3.531250     -1.861724      2.238064
  C      -4.368137     -1.113167      1.184441
  C      -3.699176     -1.110273      3.556853
  C      -7.373851     -6.894960      6.467763
  C      -7.840372     -5.743177      5.961709
  C      -7.927237     -4.509236      6.816208
  C      -8.324320     -5.673174      4.534150
  C      -7.431640     -4.914770      3.491752
  C      -7.999195     -5.239754      2.088434
  C      -7.559806     -3.396020      3.652217
  C      -2.969314     -6.140452      8.947737
  C      -2.737449     -6.357540      7.643665
  C      -3.656841     -7.213580      6.819804
  C      -1.530192     -5.768380      6.959398
  C      -1.776889     -4.545775      6.004903
  C      -0.395518     -3.989182      5.589573
  C      -2.460433     -3.455134      6.824390
  H      -0.774563      1.156062      0.658492
  H      -1.843702     -0.093716     -0.215154
  H      -1.115824     -0.189784      3.905319
  H      -0.023632      0.793158      2.890015
  H       0.306232     -0.936259      3.182642
  H      -1.524292     -2.555912      2.573748
  H      -1.936818     -2.396364      0.858797
  H      -4.065468     -0.058861      1.139712
  H      -5.431121     -1.158857      1.463048
  H      -4.258540     -1.531612      0.175068
  H      -4.752407     -1.118737      3.865369
  H      -3.106405     -1.563898      4.361938
  H      -3.381787     -0.066222      3.428046
  H      -7.302051     -7.800590      5.861729
  H      -7.036205     -6.963812      7.504127
  H      -8.902998     -4.011241      6.701195
  H      -7.149571     -3.786449      6.525243
  H      -7.777031     -4.751924      7.876964
  H      -8.461622     -6.704278      4.173123
  H      -9.322669     -5.202001      4.506009
  H      -7.955629     -6.312650      1.855464
  H      -7.429353     -4.693770      1.322769
  H      -9.053566     -4.930146      2.021665
  H      -8.613942     -3.105321      3.535276
  H      -7.200690     -3.045129      4.622255
  H      -6.970529     -2.887250      2.874870
  H      -3.836135     -6.574342      9.451137
  H      -2.302182     -5.519893      9.550005
  H      -4.146190     -6.612809      6.037815
  H      -3.092484     -8.006308      6.300987
  H      -4.436578     -7.680386      7.436025
  H      -0.821137     -5.421834      7.726657
  H      -1.011898     -6.563604      6.397584
  H       0.249170     -4.751492      5.131830
  H       0.129620     -3.595240      6.471181
  H      -0.528283     -3.167948      4.869576
  H      -3.462899     -3.753547      7.146330
  H      -1.851065     -3.253641      7.717746
  H      -2.544963     -2.525974      6.246213
  N      -4.955330     -3.312810      5.376016
  H      -5.198175     -2.408517      5.793153
85
Coordinates from ORCA-job orca E -5421.402188528549
  N      -3.985091     -3.266648      2.373418
  C      -4.016663     -4.018568      1.113839
  C      -3.181065     -5.284128      1.246858
  N      -3.660837     -6.022297      2.426947
  C      -4.837801     -6.863111      2.132070
  C      -5.785753     -6.753551      3.315983
  N      -6.022187     -5.339444      3.574632
  Mo     -4.330488     -4.307136      4.045932
  N      -2.543335     -4.937881      4.782609
  C      -1.744447     -5.815436      3.919675
  C      -2.612978     -6.771143      3.131119
  H      -1.036228     -6.425589      4.503993
  H      -1.120095     -5.222268      3.221732
  H      -3.113217     -7.462554      3.823645
  H      -2.001155     -7.370964      2.428575
  H      -6.715121     -7.301825      3.096252
  H      -5.345634     -7.255232      4.198031
  H      -5.339131     -6.460869      1.241554
  H      -4.529119     -7.903075      1.915286
  H      -3.634114     -3.430460      0.266261
  H      -5.058633     -4.291955      0.861232
  H      -2.132626     -5.000717      1.413112
  H      -3.230314     -5.911801      0.336893
  C      -1.298388      0.195058      0.682519
  C      -1.279892     -0.580183      1.777862
  C      -0.488943     -0.193906      2.998331
  C      -2.013393     -1.899712      1.838510
  C      -3.530431     -1.860908      2.238832
  C      -4.366372     -1.111712      1.184788
  C      -3.698156     -1.109083      3.557472
  C      -7.372785     -6.898628      6.465562
  C      -7.839759     -5.746257      5.961263
  C      -7.926159     -4.513421      6.817422
  C      -8.324755     -5.674427      4.534189
  C      -7.432215     -4.914804      3.492285
  C      -7.999739     -5.238938      2.088754
  C      -7.561294     -3.396340      3.654297
  C      -2.968606     -6.141520      8.947924
  C      -2.737261     -6.357556      7.643582
  C      -3.656592     -7.213528      6.819593
  C      -1.530586     -5.767244      6.959311
  C      -1.778059     -4.544594      6.005169
  C      -0.397105     -3.986978      5.589911
  C      -2.462419     -3.454747      6.825008
  H      -0.767970      1.149210      0.651485
  H      -1.838484     -0.101691     -0.218904
  H      -1.118675     -0.173282      3.900655
  H      -0.012282      0.788485      2.880944
  H       0.298781     -0.941386      3.191682
  H      -1.524246     -2.556283      2.575967
  H      -1.936705     -2.399250      0.860810
  H      -4.064216     -0.057190      1.141631
  H      -5.429695     -1.158347      1.461896
  H      -4.254933     -1.528884      0.175098
  H      -4.751501     -1.116999      3.865665
  H      -3.105847     -1.562906      4.362791
  H      -3.380200     -0.065245      3.428608
  H      -7.301510     -7.803584      5.858470
  H      -7.034463     -6.968737      7.501614
  H      -8.901905     -4.015142      6.703542
  H      -7.148646     -3.790242      6.526988
  H      -7.775505     -4.757456      7.877787
  H      -8.462951     -6.704864      4.171724
  H      -9.322608     -5.202187      4.507331
  H      -7.954688     -6.311512      1.854586
  H      -7.431083     -4.691272      1.323405
  H      -9.054597     -4.930799      2.022762
  H      -8.615533     -3.106179      3.536993
  H      -7.203111     -3.046431      4.625039
  H      -6.971805     -2.886295      2.877936
  H      -3.834897     -6.576312      9.451467
  H      -2.301522     -5.521013      9.550298
  H      -4.146118     -6.612687      6.037783
  H      -3.092197     -8.006152      6.300667
  H      -4.436248     -7.680469      7.435809
  H      -0.821748     -5.420445      7.726652
  H      -1.011682     -6.561930      6.397289
  H       0.247818     -4.748547      5.131285
  H       0.128056     -3.593492      6.471706
  H      -0.530575     -3.165184      4.870687
  H      -3.464594     -3.753936      7.147122
  H      -1.853028     -3.253230      7.718364
  H      -2.547589     -2.525338      6.247363
  N      -4.957083     -3.311997      5.375989
  H      -5.201978     -2.406833      5.790143
85
Coordinates from ORCA-job orca E -5421.402190682893
  N      -3.986396     -3.265213      2.374196
  C      -4.018652     -4.017172      1.114580
  C      -3.182360     -5.282337      1.246845
  N      -3.661493     -6.020996      2.426937
  C      -4.838054     -6.862412      2.132104
  C      -5.785990     -6.752816      3.316027
  N      -6.022780     -5.338709      3.574366
  Mo     -4.331491     -4.305968      4.046353
  N      -2.544281     -4.936045      4.782465
  C      -1.744885     -5.812899      3.919136
  C      -2.613105     -6.769237      3.130902
  H      -1.035987     -6.422527      4.503135
  H      -1.121351     -5.218971      3.221160
  H      -3.112870     -7.460428      3.824001
  H      -2.001340     -7.369181      2.428435
  H      -6.715237     -7.301508      3.096881
  H      -5.345511     -7.254031      4.198154
  H      -5.339425     -6.460652      1.241400
  H      -4.528914     -7.902317      1.915803
  H      -3.637529     -3.428676      0.266650
  H      -5.060716     -4.291266      0.863276
  H      -2.133972     -4.998538      1.412734
  H      -3.231621     -5.909781      0.336733
  C      -1.292099      0.187896      0.678333
  C      -1.276845     -0.583430      1.776409
  C      -0.487442     -0.194070      2.996871
  C      -2.012803     -1.901562      1.839779
  C      -3.529724     -1.860080      2.239623
  C      -4.364269     -1.109842      1.185094
  C      -3.697048     -1.107909      3.558148
  C      -7.372130     -6.903183      6.462725
  C      -7.839212     -5.749861      5.960700
  C      -7.924654     -4.518417      6.818948
  C      -8.325383     -5.675634      4.534135
  C      -7.433095     -4.914869      3.492634
  C      -8.000389     -5.238451      2.088921
  C      -7.563234     -3.396698      3.656107
  C      -2.966911     -6.142442      8.948211
  C      -2.736735     -6.357259      7.643465
  C      -3.656472     -7.212898      6.819615
  C      -1.530853     -5.765863      6.958731
  C      -1.779321     -4.542816      6.005422
  C      -0.398891     -3.983888      5.590358
  C      -2.464667     -3.454087      6.825871
  H      -0.759585      1.140788      0.644572
  H      -1.831761     -0.110908     -0.222679
  H      -1.121151     -0.157381      3.895971
  H       0.000059      0.782092      2.872256
  H       0.291162     -0.947972      3.201515
  H      -1.524716     -2.557714      2.578306
  H      -1.936876     -2.402822      0.862927
  H      -4.061850     -0.055337      1.143362
  H      -5.427936     -1.156665      1.460788
  H      -4.251359     -1.525927      0.175127
  H      -4.750482     -1.115040      3.866098
  H      -3.105219     -1.561997      4.363672
  H      -3.378350     -0.064344      3.429149
  H      -7.301809     -7.807245      5.854197
  H      -7.033077     -6.975085      7.498414
  H      -8.900483     -4.019889      6.706963
  H      -7.147398     -3.794829      6.528789
  H      -7.772835     -4.764221      7.878732
  H      -8.464998     -6.705343      4.170235
  H      -9.322599     -5.201999      4.508830
  H      -7.953066     -6.310679      1.853642
  H      -7.433140     -4.688774      1.323969
  H      -9.055930     -4.932513      2.023544
  H      -8.617394     -3.106988      3.536960
  H      -7.207459     -3.047876      4.628121
  H      -6.972470     -2.885296      2.881619
  H      -3.832502     -6.578075      9.452232
  H      -2.299520     -5.522162      9.550475
  H      -4.146761     -6.611790      6.038502
  H      -3.092327     -8.005165      6.299878
  H      -4.435605     -7.680282      7.436154
  H      -0.821748     -5.419210      7.725881
  H      -1.011874     -6.559924      6.395889
  H       0.246427     -4.744507      5.130735
  H       0.126200     -3.590947      6.472435
  H      -0.533195     -3.161411      4.872080
  H      -3.466771     -3.754075      7.147440
  H      -1.855691     -3.253104      7.719646
  H      -2.550066     -2.524134      6.249143
  N      -4.959494     -3.310999      5.375912
  H      -5.206915     -2.405319      5.787508
85
Coordinates from ORCA-job orca E -5421.402193000820
  N      -3.988269     -3.264075      2.374712
  C      -4.021329     -4.016102      1.115103
  C      -3.184064     -5.280720      1.246501
  N      -3.661963     -6.019886      2.426804
  C      -4.837984     -6.862289      2.132519
  C      -5.785908     -6.752425      3.316412
  N      -6.023242     -5.338268      3.574194
  Mo     -4.332403     -4.304944      4.046777
  N      -2.544720     -4.933710      4.781986
  C      -1.744804     -5.809466      3.917883
  C      -2.612569     -6.766934      3.130467
  H      -1.034579     -6.418160      4.501183
  H      -1.122822     -5.214476      3.219472
  H      -3.111433     -7.457973      3.824378
  H      -2.000756     -7.366889      2.428056
  H      -6.715055     -7.301565      3.098009
  H      -5.345059     -7.252965      4.198734
  H      -5.339413     -6.461642      1.241353
  H      -4.528137     -7.902176      1.917247
  H      -3.641930     -3.427142      0.266749
  H      -5.063459     -4.291194      0.865306
  H      -2.135740     -4.996278      1.411637
  H      -3.233518     -5.908047      0.336325
  C      -1.286667      0.181826      0.675918
  C      -1.274235     -0.586959      1.775741
  C      -0.485831     -0.196055      2.996363
  C      -2.012578     -1.903749      1.840589
  C      -3.529348     -1.859629      2.240264
  C      -4.362556     -1.107971      1.185632
  C      -3.695855     -1.107325      3.558832
  C      -7.372153     -6.906898      6.460600
  C      -7.838989     -5.752726      5.960292
  C      -7.923506     -4.522307      6.820081
  C      -8.325946     -5.676594      4.534042
  C      -7.433850     -4.915250      3.492714
  C      -8.000756     -5.238776      2.088882
  C      -7.564820     -3.397273      3.657007
  C      -2.964844     -6.142813      8.948332
  C      -2.736187     -6.356541      7.643146
  C      -3.657109     -7.211038      6.819473
  C      -1.530925     -5.764787      6.957635
  C      -1.780183     -4.541004      6.005519
  C      -0.400191     -3.980684      5.590976
  C      -2.466601     -3.453563      6.826708
  H      -0.752266      1.133596      0.640492
  H      -1.826039     -0.118023     -0.224931
  H      -1.122173     -0.148426      3.893142
  H       0.009308      0.775661      2.867189
  H       0.286273     -0.954483      3.208561
  H      -1.525588     -2.560219      2.579561
  H      -1.937605     -2.405843      0.864106
  H      -4.058980     -0.053763      1.144785
  H      -5.426415     -1.153969      1.460682
  H      -4.249324     -1.523407      0.175441
  H      -4.749255     -1.113679      3.866922
  H      -3.104180     -1.561742      4.364273
  H      -3.376469     -0.064003      3.429685
  H      -7.302807     -7.810292      5.850973
  H      -7.032675     -6.980270      7.496044
  H      -8.899578     -4.023860      6.709948
  H      -7.146653     -3.798338      6.529754
  H      -7.770214     -4.769416      7.879350
  H      -8.467004     -6.705790      4.169285
  H      -9.322601     -5.201713      4.509889
  H      -7.950887     -6.310710      1.852822
  H      -7.434862     -4.687220      1.324276
  H      -9.057023     -4.935280      2.023867
  H      -8.618635     -3.107693      3.534396
  H      -7.212840     -3.049291      4.630718
  H      -6.971537     -2.884937      2.885088
  H      -3.829989     -6.578641      9.452950
  H      -2.296601     -5.523248      9.550383
  H      -4.147942     -6.609169      6.039286
  H      -3.093895     -8.003166      6.298520
  H      -4.435881     -7.678532      7.436385
  H      -0.820941     -5.418915      7.724313
  H      -1.012787     -6.558414      6.393429
  H       0.245766     -4.740325      5.130649
  H       0.124539     -3.588143      6.473451
  H      -0.535188     -3.157619      4.873518
  H      -3.468916     -3.754234      7.146950
  H      -1.858555     -3.253588      7.721342
  H      -2.551715     -2.522863      6.251133
  N      -4.961705     -3.310293      5.375931
  H      -5.210574     -2.404414      5.786247
85
Coordinates from ORCA-job orca E -5421.402196034356
  N      -3.991380     -3.263026      2.374810
  C      -4.025555     -4.015236      1.115342
  C      -3.186819     -5.279034      1.245613
  N      -3.662413     -6.018662      2.426569
  C      -4.837568     -6.862836      2.133735
  C      -5.785574     -6.752240      3.317481
  N      -6.023820     -5.337955      3.574068
  Mo     -4.333668     -4.303668      4.047268
  N      -2.544893     -4.929975      4.781107
  C      -1.744222     -5.803751      3.915554
  C      -2.611100     -6.763374      3.129769
  H      -1.031420     -6.410637      4.497504
  H      -1.125199     -5.206968      3.216079
  H      -3.108204     -7.454431      3.824938
  H      -1.998980     -7.363070      2.427391
  H      -6.714583     -7.302008      3.100069
  H      -5.344352     -7.251634      4.200264
  H      -5.339155     -6.464500      1.241626
  H      -4.526529     -7.902772      1.920514
  H      -3.648581     -3.425712      0.266327
  H      -5.067742     -4.291848      0.867624
  H      -2.138541     -4.993587      1.409209
  H      -3.236901     -5.906449      0.335539
  C      -1.280959      0.175779      0.675595
  C      -1.271409     -0.591903      1.776153
  C      -0.483388     -0.201432      2.997197
  C      -2.012708     -1.907060      1.841100
  C      -3.529334     -1.859585      2.240602
  C      -4.360708     -1.105822      1.186040
  C      -3.694573     -1.107256      3.559310
  C      -7.373087     -6.909826      6.458932
  C      -7.839314     -5.754849      5.959913
  C      -7.923065     -4.525220      6.820889
  C      -8.326673     -5.677228      4.533780
  C      -7.434747     -4.915922      3.492354
  C      -8.000999     -5.240211      2.088501
  C      -7.566454     -3.398001      3.656519
  C      -2.960516     -6.143720      8.948555
  C      -2.734655     -6.355696      7.642611
  C      -3.657971     -7.207983      6.819373
  C      -1.530401     -5.763764      6.955476
  C      -1.781016     -4.538545      6.005559
  C      -0.401721     -3.975911      5.591913
  C      -2.469026     -3.453226      6.828131
  H      -0.744405      1.126312      0.639656
  H      -1.820202     -0.123816     -0.225423
  H      -1.121104     -0.148152      3.892702
  H       0.016341      0.767700      2.866283
  H       0.284819     -0.962783      3.212978
  H      -1.527340     -2.564800      2.580021
  H      -1.938951     -2.409179      0.864540
  H      -4.054537     -0.052361      1.145465
  H      -5.424663     -1.149428      1.461063
  H      -4.248367     -1.521226      0.175741
  H      -4.747848     -1.112587      3.867801
  H      -3.102909     -1.562160      4.364462
  H      -3.374292     -0.064226      3.429997
  H      -7.304653     -7.812670      5.848388
  H      -7.033510     -6.984488      7.494253
  H      -8.899676     -4.027407      6.712778
  H      -7.146970     -3.800658      6.529981
  H      -7.767803     -4.773290      7.879660
  H      -8.469170     -6.706135      4.168728
  H      -9.322878     -5.201318      4.510375
  H      -7.947692     -6.311865      1.851954
  H      -7.436804     -4.686570      1.324146
  H      -9.058218     -4.940027      2.023674
  H      -8.619498     -3.108240      3.527613
  H      -7.220779     -3.050441      4.632660
  H      -6.968550     -2.885303      2.888468
  H      -3.825010     -6.579551      9.454277
  H      -2.290523     -5.525609      9.550156
  H      -4.149840     -6.604538      6.041040
  H      -3.096600     -7.999760      6.295910
  H      -4.435968     -7.675782      7.437033
  H      -0.818489     -5.419524      7.721085
  H      -1.014275     -6.556837      6.388693
  H       0.245452     -4.734059      5.130834
  H       0.122265     -3.583674      6.474971
  H      -0.537758     -3.152175      4.875445
  H      -3.471737     -3.754994      7.146052
  H      -1.862564     -3.254930      7.724197
  H      -2.553678     -2.521344      6.254361
  N      -4.964443     -3.309536      5.375971
  H      -5.213952     -2.403928      5.786464
85
Coordinates from ORCA-job orca E -5421.402198860936
  N      -3.994090     -3.262350      2.374387
  C      -4.029005     -4.014674      1.115034
  C      -3.189215     -5.277919      1.244492
  N      -3.662672     -6.017679      2.426186
  C      -4.837111     -6.863406      2.134968
  C      -5.785086     -6.752303      3.318677
  N      -6.024320     -5.337954      3.574267
  Mo     -4.334853     -4.302560      4.047423
  N      -2.545163     -4.926779      4.780434
  C      -1.743763     -5.798629      3.913522
  C      -2.609574     -6.760201      3.128985
  H      -1.028545     -6.403812      4.494202
  H      -1.127462     -5.200150      3.213090
  H      -3.104956     -7.451761      3.824893
  H      -1.996838     -7.359180      2.426509
  H      -6.713900     -7.302656      3.101881
  H      -5.343558     -7.250777      4.201823
  H      -5.339104     -6.467108      1.242171
  H      -4.525092     -7.903373      1.923343
  H      -3.653612     -3.424862      0.265533
  H      -5.071234     -4.292244      0.868688
  H      -2.140897     -4.991766      1.406538
  H      -3.240138     -5.905550      0.334618
  C      -1.277085      0.172008      0.676883
  C      -1.269159     -0.596025      1.777184
  C      -0.480586     -0.207374      2.998456
  C      -2.012851     -1.909881      1.841427
  C      -3.529487     -1.859726      2.240449
  C      -4.359172     -1.104168      1.185914
  C      -3.693866     -1.107352      3.559225
  C      -7.373918     -6.910814      6.459005
  C      -7.839734     -5.755642      5.960051
  C      -7.923354     -4.526093      6.821157
  C      -8.327053     -5.677937      4.533837
  C      -7.435504     -4.916768      3.492210
  C      -8.001323     -5.241907      2.088400
  C      -7.567785     -3.398810      3.655766
  C      -2.956885     -6.145048      8.948406
  C      -2.733165     -6.355346      7.641832
  C      -3.658303     -7.205795      6.818751
  C      -1.529796     -5.763013      6.953482
  C      -1.781852     -4.536499      6.005605
  C      -0.403262     -3.971485      5.592814
  C      -2.471385     -3.453237      6.829584
  H      -0.738837      1.121598      0.641312
  H      -1.816578     -0.126416     -0.224382
  H      -1.118035     -0.154612      3.894171
  H       0.019666      0.761601      2.868414
  H       0.287238     -0.969395      3.213264
  H      -1.529085     -2.568851      2.580315
  H      -1.939782     -2.411747      0.864683
  H      -4.050037     -0.051606      1.144734
  H      -5.423118     -1.144689      1.461443
  H      -4.248536     -1.520377      0.175765
  H      -4.747044     -1.112009      3.867994
  H      -3.102119     -1.562501      4.364152
  H      -3.373015     -0.064501      3.429752
  H      -7.305719     -7.813590      5.848340
  H      -7.034497     -6.985693      7.494358
  H      -8.900458     -4.029036      6.713989
  H      -7.147924     -3.801064      6.529644
  H      -7.766923     -4.774188      7.879757
  H      -8.469618     -6.706956      4.169060
  H      -9.323432     -5.202336      4.510430
  H      -7.945494     -6.313365      1.851540
  H      -7.438491     -4.686774      1.324117
  H      -9.059247     -4.944185      2.023793
  H      -8.620167     -3.108916      3.521637
  H      -7.227216     -3.051156      4.633690
  H      -6.966038     -2.886202      2.890705
  H      -3.820859     -6.581044      9.454872
  H      -2.285555     -5.528188      9.549802
  H      -4.150768     -6.600959      6.041856
  H      -3.098351     -7.997241      6.293271
  H      -4.435811     -7.673901      7.436796
  H      -0.816349     -5.420099      7.718246
  H      -1.015199     -6.555475      6.384504
  H       0.245198     -4.728195      5.131165
  H       0.119940     -3.579349      6.476385
  H      -0.540338     -3.147255      4.877136
  H      -3.474305     -3.756243      7.145645
  H      -1.866194     -3.256152      7.726756
  H      -2.556110     -2.520417      6.257312
  N      -4.966412     -3.308719      5.375808
  H      -5.215366     -2.403304      5.787024
85
Coordinates from ORCA-job orca E -5421.402200907655
  N      -3.997137     -3.261181      2.373546
  C      -4.032708     -4.013631      1.114312
  C      -3.192051     -5.276456      1.242973
  N      -3.663200     -6.016127      2.425565
  C      -4.836909     -6.863444      2.136268
  C      -5.784665     -6.752134      3.320112
  N      -6.025161     -5.337817      3.574848
  Mo     -4.336622     -4.300790      4.047261
  N      -2.546303     -4.923045      4.779939
  C      -1.743868     -5.792603      3.911569
  C      -2.608149     -6.756258      3.127916
  H      -1.026051     -6.395887      4.490931
  H      -1.130470     -5.192087      3.210309
  H      -3.101516     -7.448956      3.824120
  H      -1.994337     -7.353854      2.425179
  H      -6.713153     -7.303212      3.103698
  H      -5.342782     -7.249780      4.203536
  H      -5.339696     -6.469066      1.243049
  H      -4.523965     -7.903389      1.925857
  H      -3.658590     -3.423695      0.264336
  H      -5.075016     -4.291845      0.869152
  H      -2.143595     -4.989789      1.403197
  H      -3.244152     -5.904379      0.333371
  C      -1.270825      0.166170      0.677464
  C      -1.265573     -0.601336      1.778130
  C      -0.477054     -0.213935      2.999802
  C      -2.012511     -1.913392      1.842312
  C      -3.529302     -1.859580      2.239927
  C      -4.356408     -1.101890      1.185015
  C      -3.692996     -1.106860      3.558586
  C      -7.374359     -6.912640      6.459493
  C      -7.839823     -5.757266      5.960661
  C      -7.923175     -4.527883      6.822056
  C      -8.327373     -5.679508      4.534461
  C      -7.436708     -4.917795      3.492761
  C      -8.002243     -5.243468      2.088956
  C      -7.570021     -3.399871      3.656071
  C      -2.953386     -6.147340      8.947800
  C      -2.731435     -6.355426      7.640581
  C      -3.657564     -7.204689      6.817381
  C      -1.529317     -5.761543      6.951354
  C      -1.783621     -4.533716      6.005763
  C      -0.406101     -3.965452      5.593821
  C      -2.475168     -3.453051      6.831477
  H      -0.730211      1.114410      0.641803
  H      -1.810216     -0.131430     -0.224131
  H      -1.115102     -0.159341      3.894998
  H       0.025260      0.753955      2.869660
  H       0.288991     -0.977444      3.215643
  H      -1.531222     -2.573186      2.582095
  H      -1.939716     -2.415892      0.865870
  H      -4.043188     -0.050600      1.142663
  H      -5.420386     -1.137977      1.461052
  H      -4.248029     -1.519618      0.175259
  H      -4.746153     -1.110646      3.867359
  H      -3.101367     -1.562115      4.363516
  H      -3.371393     -0.064255      3.428817
  H      -7.306353     -7.815323      5.848675
  H      -7.034901     -6.987720      7.494816
  H      -8.900691     -4.031407      6.715816
  H      -7.148354     -3.802348      6.530151
  H      -7.765815     -4.776144      7.880487
  H      -8.469159     -6.708666      4.169696
  H      -9.324357     -5.205116      4.511213
  H      -7.943639     -6.314592      1.851224
  H      -7.441243     -4.686285      1.324814
  H      -9.060981     -4.948507      2.025028
  H      -8.621800     -3.110152      3.516763
  H      -7.234701     -3.052205      4.635819
  H      -6.964463     -2.887076      2.894192
  H      -3.816555     -6.584358      9.454753
  H      -2.281316     -5.531349      9.549265
  H      -4.150782     -6.598739      6.041825
  H      -3.098310     -7.995398      6.290047
  H      -4.434440     -7.673666      7.435559
  H      -0.814806     -5.419502      7.715508
  H      -1.015366     -6.552875      6.380260
  H       0.243961     -4.720236      5.131244
  H       0.116255     -3.573444      6.477949
  H      -0.544745     -3.140580      4.879212
  H      -3.477975     -3.757972      7.146030
  H      -1.871043     -3.256760      7.729513
  H      -2.560886     -2.519359      6.260759
  N      -4.969015     -3.306980      5.375108
  H      -5.217436     -2.401323      5.786110
85
Coordinates from ORCA-job orca E -5421.402203113272
  N      -3.999521     -3.259954      2.372545
  C      -4.035556     -4.012519      1.113390
  C      -3.194515     -5.275213      1.241448
  N      -3.663816     -6.014634      2.424861
  C      -4.836979     -6.863135      2.137220
  C      -5.784335     -6.751967      3.321387
  N      -6.025970     -5.337762      3.575581
  Mo     -4.338317     -4.299024      4.046779
  N      -2.547791     -4.920078      4.779612
  C      -1.744355     -5.787611      3.910051
  C      -2.607166     -6.752893      3.126754
  H      -1.024468     -6.389364      4.488377
  H      -1.133260     -5.185305      3.208289
  H      -3.098754     -7.446960      3.822847
  H      -1.992237     -7.348908      2.423637
  H      -6.712440     -7.303772      3.105114
  H      -5.342071     -7.249052      4.204923
  H      -5.340749     -6.469940      1.244013
  H      -4.523448     -7.903009      1.927263
  H      -3.662060     -3.422663      0.263078
  H      -5.077979     -4.290851      0.868960
  H      -2.145828     -4.988449      1.400001
  H      -3.247895     -5.903392      0.332104
  C      -1.264061      0.160372      0.677427
  C      -1.261825     -0.606010      1.778872
  C      -0.474115     -0.219034      3.001168
  C      -2.011785     -1.916364      1.843312
  C      -3.528814     -1.859231      2.239243
  C      -4.353380     -1.099623      1.183846
  C      -3.692169     -1.106150      3.557761
  C      -7.374398     -6.914760      6.460242
  C      -7.839662     -5.759260      5.961478
  C      -7.922754     -4.530050      6.823158
  C      -8.327607     -5.681504      4.535390
  C      -7.437879     -4.918854      3.493755
  C      -8.003342     -5.244634      2.089914
  C      -7.572389     -3.401038      3.657259
  C      -2.950692     -6.149615      8.947169
  C      -2.730083     -6.355538      7.639383
  C      -3.656734     -7.203980      6.815914
  C      -1.529131     -5.759861      6.949653
  C      -1.785568     -4.531149      6.005794
  C      -0.409063     -3.959940      5.594483
  C      -2.478950     -3.452729      6.832937
  H      -0.721228      1.107338      0.641436
  H      -1.802943     -0.136932     -0.224571
  H      -1.113451     -0.161246      3.895261
  H       0.030993      0.747304      2.870306
  H       0.289479     -0.984281      3.219505
  H      -1.532952     -2.576569      2.584339
  H      -1.938915     -2.419834      0.867378
  H      -4.036273     -0.049559      1.140311
  H      -5.417398     -1.131430      1.460289
  H      -4.247114     -1.518874      0.174510
  H      -4.745394     -1.109135      3.866265
  H      -3.100904     -1.561554      4.362859
  H      -3.369763     -0.063803      3.427846
  H      -7.306548     -7.817417      5.849372
  H      -7.034751     -6.989905      7.495498
  H      -8.900591     -4.033981      6.717717
  H      -7.148519     -3.803990      6.530979
  H      -7.764732     -4.778477      7.881452
  H      -8.468282     -6.710740      4.170370
  H      -9.325254     -5.208479      4.512415
  H      -7.942571     -6.315411      1.851132
  H      -7.444040     -4.685552      1.325904
  H      -9.062743     -4.951865      2.026846
  H      -8.623866     -3.111784      3.514677
  H      -7.240595     -3.053466      4.638250
  H      -6.964438     -2.887781      2.897624
  H      -3.813084     -6.587850      9.454389
  H      -2.278238     -5.534247      9.548845
  H      -4.150159     -6.597206      6.041137
  H      -3.097856     -7.994261      6.287529
  H      -4.433392     -7.673456      7.433981
  H      -0.814144     -5.418145      7.713507
  H      -1.015060     -6.550070      6.377136
  H       0.242314     -4.712941      5.130829
  H       0.112689     -3.568196      6.479079
  H      -0.549209     -3.134388      4.880979
  H      -3.481368     -3.759560      7.146859
  H      -1.875330     -3.256582      7.731327
  H      -2.566179     -2.518503      6.263331
  N      -4.971318     -3.305041      5.374097
  H      -5.219662     -2.398835      5.783970
85
Coordinates from ORCA-job orca E -5421.402205462012
  N      -4.001883     -3.258370      2.371238
  C      -4.038430     -4.011159      1.112234
  C      -3.197299     -5.273904      1.239717
  N      -3.664713     -6.012864      2.424122
  C      -4.837312     -6.862557      2.138248
  C      -5.784118     -6.751716      3.322897
  N      -6.026978     -5.337679      3.576537
  Mo     -4.340334     -4.296790      4.046016
  N      -2.549834     -4.916953      4.779357
  C      -1.745203     -5.782187      3.908530
  C      -2.606335     -6.749196      3.125427
  H      -1.023150     -6.382301      4.485802
  H      -1.136542     -5.177900      3.206324
  H      -3.095885     -7.444975      3.821236
  H      -1.990113     -7.343243      2.421772
  H      -6.711731     -7.304400      3.106651
  H      -5.341429     -7.248256      4.206511
  H      -5.342367     -6.470251      1.245350
  H      -4.523290     -7.902311      1.928346
  H      -3.665311     -3.421533      0.261577
  H      -5.081020     -4.289347      0.868444
  H      -2.148236     -4.987391      1.396262
  H      -3.252400     -5.902401      0.330704
  C      -1.255332      0.153417      0.676920
  C      -1.257149     -0.611219      1.779571
  C      -0.471023     -0.224225      3.002869
  C      -2.010597     -1.919569      1.844393
  C      -3.527965     -1.858639      2.238214
  C      -4.349451     -1.097001      1.182033
  C      -3.691184     -1.105032      3.556484
  C      -7.374513     -6.917590      6.460951
  C      -7.839589     -5.761885      5.962443
  C      -7.922446     -4.533037      6.824666
  C      -8.328069     -5.683941      4.536545
  C      -7.439286     -4.920034      3.495094
  C      -8.004682     -5.245825      2.091188
  C      -7.575345     -3.402396      3.659026
  C      -2.946749     -6.153100      8.946865
  C      -2.728192     -6.355876      7.638240
  C      -3.655584     -7.203213      6.814469
  C      -1.528881     -5.757645      6.947859
  C      -1.788071     -4.528131      6.005803
  C      -0.412868     -3.953394      5.595065
  C      -2.483636     -3.452332      6.834568
  H      -0.709959      1.098913      0.640475
  H      -1.793217     -0.143881     -0.225672
  H      -1.112355     -0.162026      3.895248
  H       0.037767      0.740036      2.870944
  H       0.289334     -0.991608      3.225001
  H      -1.534638     -2.580150      2.586959
  H      -1.937547     -2.424284      0.869119
  H      -4.027929     -0.048344      1.137136
  H      -5.413550     -1.123938      1.458695
  H      -4.245372     -1.517990      0.173204
  H      -4.744588     -1.106858      3.864356
  H      -3.100791     -1.560757      4.362030
  H      -3.367519     -0.063077      3.426528
  H      -7.306880     -7.820142      5.849905
  H      -7.034584     -6.992956      7.496095
  H      -8.900701     -4.037486      6.720331
  H      -7.149077     -3.806141      6.532244
  H      -7.763593     -4.781835      7.882749
  H      -8.467539     -6.713156      4.170986
  H      -9.326336     -5.212217      4.514010
  H      -7.941694     -6.316222      1.851240
  H      -7.447231     -4.684701      1.327314
  H      -9.064771     -4.955320      2.029083
  H      -8.626722     -3.113942      3.514126
  H      -7.246254     -3.054944      4.640970
  H      -6.965778     -2.888421      2.901188
  H      -3.807939     -6.593170      9.454535
  H      -2.273759     -5.538553      9.548786
  H      -4.149186     -6.595368      6.040667
  H      -3.097237     -7.993066      6.284866
  H      -4.432002     -7.673167      7.432463
  H      -0.813577     -5.415933      7.711427
  H      -1.014182     -6.546420      6.373930
  H       0.239846     -4.704152      5.129642
  H       0.108450     -3.562320      6.480204
  H      -0.554941     -3.126760      4.883214
  H      -3.485319     -3.761630      7.148418
  H      -1.880180     -3.255938      7.733010
  H      -2.573172     -2.517647      6.266111
  N      -4.974072     -3.302532      5.372687
  H      -5.223383     -2.395664      5.780563
85
Coordinates from ORCA-job orca E -5421.402207701164
  N      -4.003489     -3.257031      2.370131
  C      -4.040483     -4.010116      1.111314
  C      -3.199458     -5.272999      1.238405
  N      -3.665536     -6.011503      2.423635
  C      -4.837691     -6.862075      2.139030
  C      -5.783968     -6.751604      3.324169
  N      -6.027733     -5.337716      3.577396
  Mo     -4.341843     -4.294924      4.045299
  N      -2.551440     -4.914673      4.779099
  C      -1.745911     -5.778144      3.907321
  C      -2.605852     -6.746451      3.124417
  H      -1.022276     -6.377057      4.483830
  H      -1.139077     -5.172415      3.204755
  H      -3.093811     -7.443479      3.820091
  H      -1.988755     -7.339038      2.420301
  H      -6.711170     -7.305032      3.107969
  H      -5.340896     -7.247734      4.207808
  H      -5.343880     -6.470123      1.246599
  H      -4.523342     -7.901685      1.928860
  H      -3.667597     -3.420725      0.260374
  H      -5.083213     -4.288151      0.868017
  H      -2.150016     -4.986936      1.393263
  H      -3.256112     -5.901765      0.329680
  C      -1.248006      0.148203      0.676546
  C      -1.253293     -0.615096      1.780126
  C      -0.468691     -0.228120      3.004422
  C      -2.009431     -1.921864      1.844946
  C      -3.527102     -1.858075      2.237239
  C      -4.346122     -1.094956      1.180299
  C      -3.690379     -1.104018      3.555276
  C      -7.374880     -6.920223      6.461324
  C      -7.839804     -5.764303      5.963145
  C      -7.922549     -4.535833      6.825901
  C      -8.328654     -5.686001      4.537410
  C      -7.440352     -4.921070      3.496217
  C      -8.005604     -5.246808      2.092206
  C      -7.577786     -3.403630      3.660682
  C      -2.942558     -6.156331      8.947158
  C      -2.726485     -6.355971      7.637630
  C      -3.655236     -7.201616      6.813670
  C      -1.528627     -5.755762      6.946467
  C      -1.790011     -4.525748      6.005688
  C      -0.415860     -3.948224      5.595386
  C      -2.487347     -3.452024      6.835682
  H      -0.700744      1.092608      0.639932
  H      -1.784860     -0.149130     -0.226652
  H      -1.111603     -0.163122      3.895453
  H       0.042643      0.734736      2.872065
  H       0.289463     -0.996930      3.229213
  H      -1.535603     -2.583013      2.588398
  H      -1.936419     -2.427224      0.870002
  H      -4.021415     -0.047310      1.134624
  H      -5.410358     -1.118453      1.456762
  H      -4.243246     -1.517002      0.171794
  H      -4.744015     -1.104651      3.862373
  H      -3.101142     -1.560246      4.361379
  H      -3.365334     -0.062480      3.425461
  H      -7.307481     -7.822647      5.850062
  H      -7.034765     -6.995892      7.496383
  H      -8.901234     -4.040842      6.722664
  H      -7.150099     -3.808081      6.533191
  H      -7.762794     -4.784992      7.883757
  H      -8.467546     -6.715076      4.171275
  H      -9.327129     -5.214724      4.515297
  H      -7.940985     -6.316929      1.851447
  H      -7.449446     -4.684196      1.328476
  H      -9.066194     -4.957961      2.030693
  H      -8.629299     -3.116029      3.515136
  H      -7.249732     -3.056342      4.643028
  H      -6.967926     -2.888847      2.903624
  H      -3.802634     -6.597853      9.455455
  H      -2.268605     -5.542938      9.549184
  H      -4.148640     -6.592454      6.040809
  H      -3.097970     -7.991484      6.282936
  H      -4.431682     -7.671444      7.431717
  H      -0.813007     -5.413993      7.709724
  H      -1.013447     -6.543458      6.371469
  H       0.237691     -4.697042      5.128012
  H       0.105363     -3.558188      6.481033
  H      -0.559510     -3.120350      4.885307
  H      -3.488326     -3.763367      7.149760
  H      -1.883850     -3.255316      7.734043
  H      -2.578876     -2.517009      6.268129
  N      -4.976274     -3.300462      5.371467
  H      -5.227345     -2.393135      5.777288
85
Coordinates from ORCA-job orca E -5421.402210769954
  N      -4.005373     -3.255123      2.368793
  C      -4.043039     -4.008762      1.110337
  C      -3.202104     -5.271759      1.236989
  N      -3.666742     -6.009667      2.423234
  C      -4.838305     -6.861311      2.139974
  C      -5.783873     -6.751398      3.325791
  N      -6.028681     -5.337700      3.578618
  Mo     -4.343623     -4.292352      4.044444
  N      -2.553341     -4.911724      4.778710
  C      -1.746810     -5.773177      3.905853
  C      -2.605554     -6.743030      3.123396
  H      -1.021405     -6.370720      4.481531
  H      -1.142102     -5.165893      3.202774
  H      -3.091685     -7.441230      3.819175
  H      -1.987661     -7.334188      2.418777
  H      -6.710618     -7.305705      3.109769
  H      -5.340293     -7.247055      4.209423
  H      -5.345934     -6.469509      1.248275
  H      -4.523486     -7.900671      1.929251
  H      -3.670757     -3.419605      0.258956
  H      -5.085913     -4.286911      0.867866
  H      -2.152188     -4.986347      1.389815
  H      -3.260673     -5.900892      0.328642
  C      -1.238281      0.141602      0.675740
  C      -1.248223     -0.619931      1.780552
  C      -0.465746     -0.232845      3.006205
  C      -2.007739     -1.924656      1.845268
  C      -3.525801     -1.857238      2.235896
  C      -4.341595     -1.092431      1.177710
  C      -3.689210     -1.102412      3.553495
  C      -7.375847     -6.924629      6.461077
  C      -7.840368     -5.768120      5.963874
  C      -7.922726     -4.540437      6.827764
  C      -8.329690     -5.688633      4.538373
  C      -7.441700     -4.922353      3.497689
  C      -8.006530     -5.247907      2.093439
  C      -7.581036     -3.405243      3.663154
  C      -2.936208     -6.160784      8.948112
  C      -2.724131     -6.355860      7.637233
  C      -3.655340     -7.198620      6.813133
  C      -1.528256     -5.753220      6.944802
  C      -1.792380     -4.522650      6.005531
  C      -0.419572     -3.941665      5.595806
  C      -2.491988     -3.451540      6.837019
  H      -0.688734      1.084677      0.638963
  H      -1.773600     -0.155949     -0.228305
  H      -1.110667     -0.164391      3.895507
  H       0.048744      0.728264      2.873369
  H       0.289706     -1.003361      3.234351
  H      -1.536398     -2.586826      2.589429
  H      -1.935145     -2.430529      0.870543
  H      -4.013560     -0.045827      1.131707
  H      -5.406170     -1.112493      1.453126
  H      -4.239094     -1.515195      0.169466
  H      -4.743225     -1.101023      3.859347
  H      -3.101981     -1.559491      4.360587
  H      -3.361911     -0.061561      3.423898
  H      -7.309038     -7.826641      5.849137
  H      -7.035512     -7.001247      7.495995
  H      -8.901998     -4.046167      6.726388
  H      -7.151529     -3.811507      6.534698
  H      -7.761421     -4.790448      7.885180
  H      -8.468675     -6.717305      4.171221
  H      -9.327992     -5.216987      4.517072
  H      -7.939709     -6.317673      1.851698
  H      -7.451805     -4.683386      1.330071
  H      -9.067758     -4.961250      2.032378
  H      -8.632861     -3.118890      3.517468
  H      -7.253720     -3.058399      4.645887
  H      -6.971461     -2.889072      2.906801
  H      -3.794695     -6.604163      9.457483
  H      -2.260532     -5.549302      9.550155
  H      -4.148674     -6.587342      6.041952
  H      -3.100015     -7.988513      6.280384
  H      -4.431641     -7.668246      7.431511
  H      -0.812123     -5.411354      7.707549
  H      -1.012593     -6.539636      6.368439
  H       0.234747     -4.687847      5.125304
  H       0.101846     -3.553604      6.482206
  H      -0.565235     -3.111737      4.888554
  H      -3.492152     -3.765398      7.151194
  H      -1.888567     -3.254658      7.735426
  H      -2.585774     -2.516003      6.270752
  N      -4.979351     -3.297595      5.369837
  H      -5.233901     -2.389736      5.772364
85
Coordinates from ORCA-job orca E -5421.402477545628
  N      -4.004600     -3.254614      2.367415
  C      -4.042397     -4.012515      1.111600
  C      -3.203918     -5.276428      1.243751
  N      -3.669859     -6.009132      2.432613
  C      -4.842724     -6.859415      2.151273
  C      -5.790394     -6.744351      3.335286
  N      -6.034613     -5.329914      3.585407
  Mo     -4.347758     -4.284337      4.046425
  N      -2.558678     -4.903857      4.784469
  C      -1.751541     -5.767711      3.914676
  C      -2.610118     -6.740560      3.136484
  H      -1.026176     -6.363035      4.492692
  H      -1.146959     -5.163012      3.209257
  H      -3.097247     -7.434658      3.835702
  H      -1.992434     -7.335751      2.435096
  H      -6.717200     -7.298547      3.119105
  H      -5.349210     -7.238601      4.220964
  H      -5.348131     -6.469094      1.257671
  H      -4.530114     -7.900223      1.943998
  H      -3.667249     -3.427349      0.258805
  H      -5.085722     -4.288953      0.869142
  H      -2.153419     -4.992259      1.394964
  H      -3.263788     -5.908874      0.337840
  C      -1.235875      0.139936      0.668584
  C      -1.244529     -0.624449      1.771647
  C      -0.452902     -0.245326      2.993860
  C      -2.007371     -1.927162      1.834824
  C      -3.524275     -1.857019      2.230230
  C      -4.343883     -1.093463      1.174004
  C      -3.683977     -1.101425      3.547980
  C      -7.438629     -7.000904      6.414220
  C      -7.852577     -5.815435      5.941108
  C      -7.867181     -4.600183      6.825929
  C      -8.345679     -5.687606      4.520588
  C      -7.446564     -4.911998      3.496654
  C      -8.001610     -5.219572      2.084448
  C      -7.586361     -3.396817      3.679449
  C      -2.910951     -6.145783      8.967725
  C      -2.715617     -6.338173      7.653833
  C      -3.660071     -7.174782      6.838820
  C      -1.525707     -5.738626      6.948620
  C      -1.796922     -4.509680      6.009034
  C      -0.426520     -3.926618      5.594048
  C      -2.496943     -3.438894      6.840596
  H      -0.683136      1.081165      0.632114
  H      -1.777272     -0.152471     -0.233524
  H      -1.091572     -0.178780      3.887722
  H       0.063569      0.714848      2.861759
  H       0.301834     -1.018981      3.213484
  H      -1.535193     -2.593658      2.574668
  H      -1.939927     -2.428654      0.857507
  H      -4.012488     -0.048102      1.122209
  H      -5.406953     -1.108674      1.455382
  H      -4.248856     -1.519884      0.166627
  H      -4.737261     -1.099239      3.856226
  H      -3.095134     -1.558262      4.354023
  H      -3.356539     -0.060781      3.417153
  H      -7.417015     -7.893599      5.785618
  H      -7.095393     -7.111794      7.445003
  H      -8.817221     -4.050164      6.733775
  H      -7.056015     -3.910955      6.544678
  H      -7.719832     -4.876981      7.878637
  H      -8.507618     -6.703102      4.127188
  H      -9.333872     -5.194712      4.516672
  H      -7.932391     -6.286127      1.829338
  H      -7.441644     -4.645179      1.332315
  H      -9.062484     -4.932593      2.019440
  H      -8.635394     -3.106956      3.521029
  H      -7.274817     -3.063324      4.671888
  H      -6.964187     -2.871599      2.939862
  H      -3.765506     -6.586213      9.486160
  H      -2.224610     -5.539854      9.563308
  H      -4.151283     -6.561239      6.068050
  H      -3.115822     -7.971691      6.305022
  H      -4.437469     -7.634485      7.463151
  H      -0.801364     -5.396910      7.703655
  H      -1.017418     -6.526785      6.368159
  H       0.228060     -4.672124      5.122745
  H       0.096702     -3.535849      6.478175
  H      -0.576269     -3.098116      4.885935
  H      -3.494080     -3.755862      7.161178
  H      -1.889564     -3.236191      7.735076
  H      -2.598070     -2.505855      6.271541
  N      -4.977614     -3.279047      5.366714
  H      -5.227186     -2.366165      5.760862
85
Coordinates from ORCA-job orca E -5421.402845483512
  N      -3.993942     -3.251804      2.365202
  C      -4.032544     -4.016861      1.113917
  C      -3.197116     -5.281247      1.255462
  N      -3.665988     -6.006042      2.447800
  C      -4.842175     -6.852405      2.168725
  C      -5.790006     -6.731666      3.352542
  N      -6.034134     -5.317076      3.602780
  Mo     -4.343433     -4.269722      4.049511
  N      -2.556374     -4.891931      4.792573
  C      -1.749740     -5.763236      3.930044
  C      -2.611043     -6.737242      3.157793
  H      -1.029258     -6.358931      4.513609
  H      -1.139763     -5.166199      3.222865
  H      -3.103361     -7.421291      3.863467
  H      -1.996532     -7.342741      2.462501
  H      -6.717600     -7.285927      3.138933
  H      -5.349294     -7.224798      4.239061
  H      -5.344574     -6.462058      1.273448
  H      -4.534134     -7.895310      1.964685
  H      -3.652871     -3.438032      0.258863
  H      -5.076544     -4.290791      0.871758
  H      -2.146298     -4.997495      1.405334
  H      -3.257185     -5.918978      0.353326
  C      -1.249629      0.150167      0.636326
  C      -1.250471     -0.611058      1.741988
  C      -0.452126     -0.226975      2.958110
  C      -2.006115     -1.917366      1.811308
  C      -3.520994     -1.851742      2.215162
  C      -4.352501     -1.102888      1.157811
  C      -3.677175     -1.087024      3.528029
  C      -7.495561     -7.118760      6.359020
  C      -7.827958     -5.895173      5.918968
  C      -7.704249     -4.697320      6.818063
  C      -8.347293     -5.698836      4.516049
  C      -7.446159     -4.902566      3.510439
  C      -7.992453     -5.185817      2.089972
  C      -7.596403     -3.392446      3.726462
  C      -2.958442     -6.130052      8.977759
  C      -2.768244     -6.311107      7.661463
  C      -3.739489     -7.103314      6.833275
  C      -1.560256     -5.739126      6.964016
  C      -1.802296     -4.504261      6.023853
  C      -0.418748     -3.942275      5.622408
  C      -2.495359     -3.424526      6.849044
  H      -0.702297      1.094343      0.595104
  H      -1.795775     -0.146178     -0.261625
  H      -1.084014     -0.165303      3.857113
  H       0.056174      0.737077      2.822274
  H       0.310194     -0.995001      3.170925
  H      -1.526196     -2.581385      2.548308
  H      -1.942982     -2.417199      0.832934
  H      -4.023892     -0.057297      1.090191
  H      -5.412958     -1.116719      1.448610
  H      -4.265796     -1.540816      0.154586
  H      -4.729281     -1.083679      3.839465
  H      -3.085064     -1.536925      4.335417
  H      -3.351844     -0.046732      3.388491
  H      -7.559798     -7.997567      5.714149
  H      -7.133917     -7.276268      7.377339
  H      -8.593798     -4.051249      6.750031
  H      -6.829788     -4.092836      6.527119
  H      -7.566203     -5.002095      7.864322
  H      -8.545581     -6.692713      4.086011
  H      -9.320729     -5.178579      4.554261
  H      -7.910953     -6.246671      1.814163
  H      -7.433868     -4.591566      1.352247
  H      -9.055663     -4.907824      2.025134
  H      -8.643788     -3.103628      3.555884
  H      -7.306136     -3.082229      4.733283
  H      -6.963601     -2.845977      3.011859
  H      -3.828150     -6.547859      9.489622
  H      -2.251831     -5.556769      9.581949
  H      -4.190444     -6.467007      6.056162
  H      -3.225129     -7.922560      6.303564
  H      -4.546303     -7.528298      7.444926
  H      -0.830531     -5.416595      7.722289
  H      -1.069971     -6.537620      6.382586
  H       0.229690     -4.698091      5.159143
  H       0.100799     -3.557828      6.511477
  H      -0.548774     -3.112510      4.911788
  H      -3.497729     -3.729710      7.164945
  H      -1.890546     -3.226668      7.746394
  H      -2.583420     -2.491815      6.277536
  N      -4.957069     -3.245680      5.363400
  H      -5.193915     -2.323840      5.744259
85
Coordinates from ORCA-job orca E -5421.403065849634
  N      -3.987655     -3.243895      2.364842
  C      -4.027661     -4.011926      1.115195
  C      -3.195729     -5.277660      1.261491
  N      -3.668965     -5.998497      2.454202
  C      -4.848938     -6.839054      2.173591
  C      -5.794281     -6.719013      3.359030
  N      -6.036408     -5.305214      3.617880
  Mo     -4.341879     -4.256756      4.050606
  N      -2.557072     -4.884417      4.796282
  C      -1.753453     -5.762492      3.937878
  C      -2.619689     -6.733663      3.167586
  H      -1.038182     -6.361459      4.524339
  H      -1.137706     -5.171629      3.230693
  H      -3.118187     -7.409637      3.876712
  H      -2.009651     -7.347585      2.475785
  H      -6.723830     -7.270234      3.145980
  H      -5.353687     -7.217010      4.242383
  H      -5.349523     -6.443918      1.279387
  H      -4.545762     -7.882834      1.966965
  H      -3.643569     -3.436556      0.259874
  H      -5.072189     -4.282352      0.871836
  H      -2.144610     -4.995505      1.412444
  H      -3.255413     -5.917333      0.360658
  C      -1.253177      0.151448      0.606102
  C      -1.247549     -0.607033      1.713716
  C      -0.440805     -0.220743      2.923528
  C      -2.002967     -1.912962      1.790750
  C      -3.514314     -1.843870      2.206585
  C      -4.353453     -1.099720      1.152195
  C      -3.657955     -1.072953      3.516827
  C      -7.550966     -7.225000      6.300290
  C      -7.823191     -5.975659      5.891650
  C      -7.610794     -4.805594      6.809047
  C      -8.354583     -5.719345      4.503010
  C      -7.449073     -4.894781      3.522822
  C      -7.979484     -5.148415      2.091326
  C      -7.609988     -3.391284      3.776577
  C      -2.980866     -6.084882      9.003884
  C      -2.800598     -6.276175      7.687615
  C      -3.787736     -7.059128      6.869497
  C      -1.584490     -5.730463      6.981993
  C      -1.805689     -4.498571      6.030513
  C      -0.412947     -3.956808      5.632714
  C      -2.487152     -3.403783      6.844591
  H      -0.706361      1.095616      0.559339
  H      -1.805133     -0.147098     -0.287567
  H      -1.065473     -0.160771      3.827685
  H       0.063853      0.744646      2.783639
  H       0.325405     -0.986680      3.129651
  H      -1.517387     -2.576351      2.524364
  H      -1.948299     -2.412834      0.811912
  H      -4.022822     -0.055288      1.074724
  H      -5.411348     -1.108841      1.452130
  H      -4.276522     -1.544079      0.150961
  H      -4.708053     -1.061655      3.834464
  H      -3.063445     -1.522999      4.322427
  H      -3.327482     -0.035148      3.370561
  H      -7.668290     -8.084637      5.637657
  H      -7.188651     -7.424339      7.311041
  H      -8.455368     -4.100063      6.764778
  H      -6.699660     -4.256822      6.512693
  H      -7.479189     -5.137817      7.848046
  H      -8.574303     -6.692557      4.037654
  H      -9.319175     -5.185611      4.572886
  H      -7.881380     -6.201582      1.791691
  H      -7.421089     -4.530047      1.373326
  H      -9.045418     -4.882055      2.022934
  H      -8.656119     -3.103236      3.597705
  H      -7.337269     -3.107225      4.796483
  H      -6.969842     -2.821942      3.086700
  H      -3.854968     -6.484841      9.522454
  H      -2.261182     -5.520692      9.601234
  H      -4.219639     -6.426263      6.079307
  H      -3.290836     -7.898378      6.354446
  H      -4.607732     -7.455632      7.482878
  H      -0.847824     -5.414589      7.736325
  H      -1.109428     -6.542262      6.406475
  H       0.229086     -4.724303      5.180198
  H       0.105747     -3.570697      6.521552
  H      -0.528798     -3.131720      4.914024
  H      -3.493681     -3.693543      7.161497
  H      -1.881427     -3.206160      7.741418
  H      -2.562470     -2.474838      6.265032
  N      -4.942991     -3.221290      5.361992
  H      -5.169920     -2.293127      5.733766
85
Coordinates from ORCA-job orca E -5421.403238999877
  N      -3.982486     -3.246884      2.365921
  C      -4.019727     -4.018669      1.117802
  C      -3.191437     -5.286102      1.270326
  N      -3.672789     -6.002761      2.462417
  C      -4.856706     -6.837140      2.178966
  C      -5.800962     -6.717223      3.364786
  N      -6.037220     -5.303023      3.630353
  Mo     -4.338787     -4.256459      4.052634
  N      -2.554908     -4.886337      4.800012
  C      -1.757113     -5.775288      3.947880
  C      -2.630489     -6.743284      3.180603
  H      -1.048110     -6.377406      4.539104
  H      -1.134690     -5.193387      3.239228
  H      -3.136022     -7.410769      3.893047
  H      -2.025415     -7.366244      2.492577
  H      -6.733190     -7.262789      3.149867
  H      -5.363054     -7.221059      4.245783
  H      -5.354848     -6.436946      1.285706
  H      -4.558181     -7.881650      1.969497
  H      -3.631640     -3.446337      0.262306
  H      -5.063671     -4.287591      0.871147
  H      -2.140362     -5.006301      1.425818
  H      -3.248461     -5.927649      0.370553
  C      -1.262614      0.158225      0.599512
  C      -1.255987     -0.596174      1.709747
  C      -0.457376     -0.199326      2.921676
  C      -2.003382     -1.906723      1.789141
  C      -3.515835     -1.845012      2.202756
  C      -4.356903     -1.109486      1.144061
  C      -3.663942     -1.069699      3.509347
  C      -7.625323     -7.246576      6.278168
  C      -7.849065     -5.985430      5.876576
  C      -7.601560     -4.827835      6.801393
  C      -8.371313     -5.705121      4.489311
  C      -7.447362     -4.883887      3.521937
  C      -7.960852     -5.127764      2.082911
  C      -7.598730     -3.380975      3.783183
  C      -2.950655     -6.086370      9.015070
  C      -2.777514     -6.278180      7.697904
  C      -3.759913     -7.075513      6.888913
  C      -1.569717     -5.724891      6.984738
  C      -1.799537     -4.496302      6.031018
  C      -0.409443     -3.952711      5.626057
  C      -2.477917     -3.400005      6.845356
  H      -0.722012      1.105865      0.551383
  H      -1.807932     -0.148181     -0.295577
  H      -1.085524     -0.143333      3.823622
  H       0.039038      0.770260      2.781449
  H       0.315237     -0.957790      3.131771
  H      -1.514661     -2.564266      2.525759
  H      -1.943333     -2.409503      0.812174
  H      -4.032359     -0.063392      1.063420
  H      -5.415371     -1.123926      1.441708
  H      -4.274771     -1.557022      0.144598
  H      -4.715037     -1.057804      3.824070
  H      -3.071442     -1.517051      4.318020
  H      -3.333663     -0.032318      3.360179
  H      -7.774892     -8.097035      5.609777
  H      -7.280043     -7.466594      7.290701
  H      -8.428144     -4.101029      6.768836
  H      -6.679862     -4.297419      6.500930
  H      -7.471769     -5.170975      7.837270
  H      -8.608925     -6.668660      4.012778
  H      -9.326237     -5.154731      4.563551
  H      -7.859003     -6.179544      1.779917
  H      -7.393493     -4.505834      1.375023
  H      -9.025896     -4.860626      2.002867
  H      -8.641630     -3.084410      3.599454
  H      -7.329356     -3.105693      4.806587
  H      -6.950824     -2.811827      3.100331
  H      -3.816938     -6.494438      9.540391
  H      -2.233203     -5.512919      9.606257
  H      -4.202613     -6.453536      6.095950
  H      -3.256403     -7.912942      6.377065
  H      -4.571962     -7.477705      7.508611
  H      -0.831762     -5.402806      7.735137
  H      -1.092293     -6.535358      6.408841
  H       0.233034     -4.720491      5.174869
  H       0.111339     -3.561213      6.511280
  H      -0.529885     -3.131272      4.903868
  H      -3.481788     -3.690017      7.170232
  H      -1.866661     -3.198998      7.737675
  H      -2.557885     -2.472732      6.263600
  N      -4.938159     -3.217048      5.362397
  H      -5.164407     -2.286751      5.729480
85
Coordinates from ORCA-job orca E -5421.403381731368
  N      -3.974436     -3.248171      2.365141
  C      -4.005026     -4.016869      1.113583
  C      -3.182724     -5.288380      1.268191
  N      -3.678997     -6.007033      2.453167
  C      -4.868726     -6.829400      2.158670
  C      -5.808857     -6.719185      3.347574
  N      -6.036104     -5.306762      3.635094
  Mo     -4.332889     -4.265279      4.045744
  N      -2.552540     -4.903602      4.793073
  C      -1.765220     -5.807259      3.946922
  C      -2.649931     -6.762697      3.175456
  H      -1.067244     -6.418689      4.541983
  H      -1.130808     -5.235845      3.240495
  H      -3.168669     -7.421768      3.886340
  H      -2.052194     -7.395125      2.489702
  H      -6.745785     -7.254389      3.128748
  H      -5.372196     -7.238223      4.219809
  H      -5.363763     -6.415382      1.270155
  H      -4.576685     -7.873200      1.936861
  H      -3.609406     -3.443185      0.262587
  H      -5.047432     -4.281785      0.857490
  H      -2.132310     -5.013266      1.435743
  H      -3.233249     -5.926394      0.365362
  C      -1.274012      0.177678      0.609240
  C      -1.258434     -0.584641      1.713537
  C      -0.454323     -0.193549      2.923978
  C      -2.001692     -1.898315      1.788193
  C      -3.513324     -1.844364      2.206999
  C      -4.358683     -1.105874      1.154005
  C      -3.658788     -1.076485      3.517572
  C      -7.646540     -7.332929      6.206230
  C      -7.844422     -6.054656      5.847230
  C      -7.579208     -4.931661      6.809684
  C      -8.375257     -5.722747      4.473939
  C      -7.445963     -4.880325      3.528543
  C      -7.949531     -5.088335      2.081029
  C      -7.591592     -3.384183      3.826507
  C      -2.959643     -5.965769      9.051039
  C      -2.803224     -6.201995      7.738998
  C      -3.813119     -6.997239      6.962767
  C      -1.585545     -5.705915      7.001151
  C      -1.785796     -4.500720      6.012579
  C      -0.383846     -4.002119      5.590546
  C      -2.433659     -3.364774      6.796707
  H      -0.735450      1.126603      0.564506
  H      -1.821360     -0.125362     -0.285770
  H      -1.076084     -0.150196      3.830837
  H       0.035497      0.780155      2.789533
  H       0.324305     -0.949436      3.121046
  H      -1.507889     -2.556934      2.520306
  H      -1.941405     -2.397137      0.809259
  H      -4.040002     -0.057636      1.079933
  H      -5.416811     -1.128174      1.452576
  H      -4.274472     -1.546692      0.151744
  H      -4.709456     -1.065298      3.834742
  H      -3.064783     -1.529787      4.322084
  H      -3.328186     -0.038750      3.373182
  H      -7.821635     -8.157561      5.511813
  H      -7.306180     -7.594408      7.210867
  H      -8.413033     -4.213016      6.831453
  H      -6.674864     -4.374970      6.501818
  H      -7.416815     -5.313738      7.827391
  H      -8.629923     -6.666639      3.967591
  H      -9.324021     -5.165927      4.575128
  H      -7.837542     -6.131414      1.753680
  H      -7.383078     -4.444196      1.392587
  H      -9.016316     -4.827201      2.001431
  H      -8.634672     -3.080771      3.654705
  H      -7.314853     -3.135640      4.854739
  H      -6.946518     -2.799823      3.153842
  H      -3.832029     -6.333966      9.595383
  H      -2.222787     -5.392929      9.618428
  H      -4.249300     -6.390391      6.154442
  H      -3.335449     -7.862841      6.473089
  H      -4.628071     -7.361695      7.601766
  H      -0.834241     -5.381437      7.737034
  H      -1.134704     -6.547420      6.448382
  H       0.240323     -4.798665      5.164144
  H       0.146771     -3.594587      6.462531
  H      -0.486058     -3.202042      4.841935
  H      -3.444342     -3.618375      7.130888
  H      -1.815846     -3.156604      7.682786
  H      -2.488947     -2.451429      6.190235
  N      -4.934551     -3.232299      5.360665
  H      -5.160135     -2.302680      5.730266
85
Coordinates from ORCA-job orca E -5421.403443722145
  N      -3.973765     -3.246258      2.359549
  C      -4.001065     -4.023412      1.113007
  C      -3.182304     -5.295864      1.278190
  N      -3.684015     -6.004490      2.466931
  C      -4.875811     -6.824335      2.175698
  C      -5.815500     -6.709215      3.364829
  N      -6.039053     -5.295963      3.651530
  Mo     -4.334564     -4.251993      4.046322
  N      -2.557261     -4.888204      4.800293
  C      -1.772288     -5.802294      3.963456
  C      -2.659513     -6.759224      3.197245
  H      -1.078730     -6.411999      4.565670
  H      -1.133599     -5.239223      3.254039
  H      -3.182289     -7.411845      3.911347
  H      -2.062174     -7.398304      2.517377
  H      -6.754284     -7.241441      3.146391
  H      -5.381017     -7.228279      4.238462
  H      -5.370338     -6.411148      1.286550
  H      -4.586494     -7.869507      1.955529
  H      -3.602267     -3.455913      0.259241
  H      -5.043084     -4.288176      0.855268
  H      -2.131362     -5.023432      1.446291
  H      -3.233235     -5.939694      0.379592
  C      -1.256600      0.159240      0.592192
  C      -1.247455     -0.594646      1.702383
  C      -0.443328     -0.198909      2.911310
  C      -1.996147     -1.904797      1.783937
  C      -3.510304     -1.844680      2.193759
  C      -4.348252     -1.113042      1.130267
  C      -3.663595     -1.067337      3.498192
  C      -7.692571     -7.398570      6.147821
  C      -7.840916     -6.103458      5.827088
  C      -7.510336     -5.018681      6.812846
  C      -8.382693     -5.715438      4.472495
  C      -7.448934     -4.863923      3.541988
  C      -7.948150     -5.051499      2.090342
  C      -7.596528     -3.372524      3.860336
  C      -2.950267     -5.970734      9.052855
  C      -2.801118     -6.190106      7.737018
  C      -3.820982     -6.964800      6.953091
  C      -1.585619     -5.689603      6.999952
  C      -1.792568     -4.481757      6.018873
  C      -0.393437     -3.971887      5.600190
  C      -2.451444     -3.354016      6.806707
  H      -0.713124      1.105102      0.541395
  H      -1.803485     -0.147790     -0.301750
  H      -1.065960     -0.145777      3.816948
  H       0.051796      0.771187      2.770355
  H       0.331126     -0.957360      3.115181
  H      -1.508407     -2.559410      2.523986
  H      -1.931759     -2.411839      0.809525
  H      -4.024652     -0.067056      1.047189
  H      -5.407700     -1.127819      1.424821
  H      -4.262357     -1.564385      0.132828
  H      -4.715759     -1.055478      3.810184
  H      -3.073013     -1.513787      4.308761
  H      -3.333828     -0.030160      3.348120
  H      -7.923944     -8.194528      5.436129
  H      -7.335272     -7.702626      7.134469
  H      -8.326009     -4.282224      6.887680
  H      -6.607060     -4.470162      6.492098
  H      -7.322668     -5.436752      7.811435
  H      -8.664021     -6.637397      3.940532
  H      -9.318173     -5.143170      4.604540
  H      -7.827868     -6.088396      1.746976
  H      -7.386206     -4.391758      1.413308
  H      -9.016880     -4.797191      2.013174
  H      -8.638573     -3.067000      3.684880
  H      -7.327660     -3.140335      4.893987
  H      -6.946355     -2.778217      3.201770
  H      -3.823032     -6.339980      9.595870
  H      -2.206915     -5.410928      9.624732
  H      -4.253837     -6.344183      6.153318
  H      -3.353548     -7.829579      6.452102
  H      -4.636148     -7.329515      7.591758
  H      -0.832335     -5.368276      7.735312
  H      -1.136147     -6.527790      6.440877
  H       0.237507     -4.762545      5.172453
  H       0.132810     -3.563003      6.474149
  H      -0.500054     -3.170568      4.853634
  H      -3.461248     -3.616911      7.137021
  H      -1.837805     -3.144984      7.695487
  H      -2.512483     -2.438251      6.204611
  N      -4.940169     -3.211761      5.354261
  H      -5.170227     -2.278131      5.710799
85
Coordinates from ORCA-job orca E -5421.403128311030
  N      -3.970797     -3.242178      2.352954
  C      -3.994446     -4.030453      1.113682
  C      -3.177620     -5.301352      1.292760
  N      -3.685802     -5.996549      2.486354
  C      -4.879031     -6.814033      2.198351
  C      -5.816973     -6.695936      3.388882
  N      -6.037396     -5.282640      3.678057
  Mo     -4.331976     -4.232794      4.049284
  N      -2.557476     -4.864729      4.810929
  C      -1.776553     -5.792989      3.986156
  C      -2.667136     -6.750443      3.226023
  H      -1.090877     -6.401869      4.598484
  H      -1.129897     -5.241781      3.274351
  H      -3.195121     -7.395380      3.943459
  H      -2.070576     -7.397417      2.553037
  H      -6.757760     -7.224797      3.170750
  H      -5.383954     -7.216148      4.262937
  H      -5.374329     -6.400457      1.309827
  H      -4.591607     -7.859983      1.977452
  H      -3.593530     -3.470552      0.255745
  H      -5.035911     -4.297140      0.854869
  H      -2.126765     -5.030034      1.462459
  H      -3.227303     -5.953201      0.400026
  C      -1.240131      0.141704      0.567844
  C      -1.237174     -0.602091      1.685069
  C      -0.435748     -0.198399      2.893083
  C      -1.989746     -1.909161      1.775765
  C      -3.507250     -1.842936      2.172677
  C      -4.335980     -1.127130      1.091225
  C      -3.670747     -1.043721      3.462661
  C      -7.745968     -7.459449      6.095037
  C      -7.849859     -6.151285      5.811567
  C      -7.473367     -5.106133      6.822211
  C      -8.389482     -5.711384      4.471141
  C      -7.449494     -4.847305      3.561185
  C      -7.937212     -5.018875      2.104108
  C      -7.614477     -3.362196      3.897260
  C      -2.929141     -6.007871      9.050732
  C      -2.796517     -6.189614      7.727408
  C      -3.838444     -6.919734      6.930013
  C      -1.582546     -5.683842      6.992744
  C      -1.792459     -4.463760      6.030604
  C      -0.393888     -3.948925      5.615913
  C      -2.450061     -3.346003      6.834230
  H      -0.693751      1.085599      0.510372
  H      -1.786164     -0.170815     -0.324701
  H      -1.060654     -0.136670      3.796629
  H       0.062340      0.769197      2.745463
  H       0.336224     -0.957132      3.105435
  H      -1.509135     -2.556309      2.527457
  H      -1.918152     -2.428393      0.808340
  H      -4.009508     -0.083353      0.993541
  H      -5.397659     -1.134916      1.378250
  H      -4.244140     -1.595391      0.102157
  H      -4.725269     -1.026955      3.766167
  H      -3.088745     -1.478347      4.285571
  H      -3.338940     -0.009122      3.299328
  H      -8.020612     -8.224582      5.364626
  H      -7.373239     -7.804636      7.062112
  H      -8.286541     -4.373761      6.956970
  H      -6.586581     -4.540788      6.494006
  H      -7.251154     -5.562472      7.795873
  H      -8.687649     -6.612708      3.913710
  H      -9.315283     -5.129661      4.625795
  H      -7.800340     -6.048963      1.746883
  H      -7.382635     -4.340211      1.440118
  H      -9.009260     -4.779069      2.025256
  H      -8.658246     -3.065472      3.715773
  H      -7.357133     -3.144046      4.936406
  H      -6.963776     -2.751940      3.254561
  H      -3.802662     -6.379014      9.591233
  H      -2.170059     -5.479626      9.631849
  H      -4.270155     -6.266240      6.156309
  H      -3.392669     -7.776681      6.396859
  H      -4.650063     -7.291291      7.569521
  H      -0.822933     -5.377508      7.728263
  H      -1.141309     -6.515846      6.417962
  H       0.238141     -4.735116      5.181072
  H       0.131841     -3.547461      6.493532
  H      -0.500870     -3.141167      4.876391
  H      -3.461608     -3.611926      7.157673
  H      -1.838034     -3.150766      7.727367
  H      -2.508946     -2.421171      6.246010
  N      -4.948785     -3.178168      5.347748
  H      -5.190063     -2.238255      5.684165
85
Coordinates from ORCA-job orca E -5421.403445137194
  N      -3.972009     -3.249295      2.356645
  C      -3.995388     -4.024811      1.109805
  C      -3.174976     -5.294685      1.277103
  N      -3.679945     -6.002714      2.464366
  C      -4.871148     -6.821332      2.168793
  C      -5.812323     -6.713366      3.357892
  N      -6.035497     -5.302438      3.656057
  Mo     -4.331261     -4.256492      4.043882
  N      -2.554957     -4.890891      4.799521
  C      -1.770120     -5.806827      3.964139
  C      -2.657511     -6.760089      3.195240
  H      -1.081215     -6.419183      4.568662
  H      -1.126402     -5.245570      3.257613
  H      -3.182258     -7.414237      3.906428
  H      -2.059423     -7.397976      2.514923
  H      -6.751428     -7.242713      3.134224
  H      -5.379772     -7.238651      4.228879
  H      -5.365575     -6.403044      1.281943
  H      -4.580648     -7.864935      1.941564
  H      -3.595414     -3.456082      0.257384
  H      -5.036604     -4.290904      0.848720
  H      -2.125349     -5.020351      1.449985
  H      -3.221376     -5.938635      0.378464
  C      -1.262137      0.170032      0.605674
  C      -1.252522     -0.589514      1.712302
  C      -0.452531     -0.197768      2.924998
  C      -1.997646     -1.901731      1.787558
  C      -3.513710     -1.846457      2.190168
  C      -4.350317     -1.120687      1.121064
  C      -3.673888     -1.063874      3.490880
  C      -7.730886     -7.373434      6.175599
  C      -7.860638     -6.081126      5.835915
  C      -7.521129     -4.986461      6.805790
  C      -8.386272     -5.707185      4.470632
  C      -7.446290     -4.866380      3.538296
  C      -7.939970     -5.066694      2.086745
  C      -7.603765     -3.373925      3.845971
  C      -2.915685     -5.994670      9.058821
  C      -2.780643     -6.203308      7.739745
  C      -3.809543     -6.972167      6.962400
  C      -1.572618     -5.696557      6.994532
  C      -1.788141     -4.486067      6.017901
  C      -0.391501     -3.971986      5.596261
  C      -2.446912     -3.362255      6.811762
  H      -0.722004      1.118181      0.560915
  H      -1.808234     -0.132726     -0.290151
  H      -1.077789     -0.152487      3.829518
  H       0.039273      0.774975      2.790659
  H       0.324101     -0.954581      3.126506
  H      -1.511780     -2.555840      2.529580
  H      -1.926365     -2.408115      0.813300
  H      -4.030564     -0.073598      1.036764
  H      -5.410928     -1.138779      1.411362
  H      -4.258849     -1.574798      0.125419
  H      -4.727145     -1.053606      3.798877
  H      -3.087114     -1.507141      4.305952
  H      -3.345380     -0.026438      3.338848
  H      -7.971841     -8.174771      5.472898
  H      -7.368672     -7.668700      7.162835
  H      -8.349003     -4.263403      6.893384
  H      -6.636465     -4.422115      6.468348
  H      -7.308570     -5.395784      7.802435
  H      -8.665054     -6.635023      3.947694
  H      -9.321116     -5.131170      4.588952
  H      -7.815243     -6.106138      1.752373
  H      -7.379866     -4.409369      1.405924
  H      -9.009498     -4.817291      2.005571
  H      -8.647643     -3.077460      3.666200
  H      -7.338685     -3.135638      4.879332
  H      -6.955661     -2.778549      3.186742
  H      -3.782350     -6.368811      9.608240
  H      -2.164888     -5.441817      9.627725
  H      -4.260000     -6.343154      6.179736
  H      -3.347427     -7.828425      6.442571
  H      -4.609408     -7.349027      7.613430
  H      -0.814447     -5.376326      7.725569
  H      -1.125615     -6.532288      6.430466
  H       0.241557     -4.761243      5.168721
  H       0.134309     -3.560582      6.469252
  H      -0.501323     -3.171805      4.848827
  H      -3.457842     -3.627280      7.137385
  H      -1.834989     -3.157697      7.702774
  H      -2.507728     -2.442961      6.214768
  N      -4.945338     -3.213839      5.352847
  H      -5.183777     -2.279059      5.703563
85
Coordinates from ORCA-job orca E -5421.403474096282
  N      -3.961692     -3.250963      2.357893
  C      -3.988812     -4.026091      1.110487
  C      -3.171744     -5.298438      1.278263
  N      -3.678828     -6.006109      2.465019
  C      -4.873497     -6.821011      2.169131
  C      -5.812933     -6.708264      3.358444
  N      -6.031336     -5.296164      3.654457
  Mo     -4.323067     -4.257929      4.044412
  N      -2.548278     -4.899227      4.798304
  C      -1.766774     -5.818582      3.963440
  C      -2.659428     -6.767945      3.195199
  H      -1.080907     -6.434616      4.567618
  H      -1.119787     -5.260755      3.257556
  H      -3.187837     -7.417103      3.908226
  H      -2.066610     -7.410935      2.515015
  H      -6.753918     -7.235930      3.139097
  H      -5.379251     -7.232632      4.229060
  H      -5.365756     -6.402715      1.281090
  H      -4.586670     -7.865861      1.944779
  H      -3.586465     -3.458886      0.258414
  H      -5.030822     -4.288403      0.849383
  H      -2.122166     -5.024730      1.452925
  H      -3.217050     -5.942670      0.379605
  C      -1.284410      0.185001      0.588011
  C      -1.260429     -0.576405      1.692949
  C      -0.455532     -0.179823      2.900772
  C      -1.995674     -1.894114      1.772863
  C      -3.507725     -1.846101      2.190415
  C      -4.357512     -1.119143      1.132436
  C      -3.656151     -1.069517      3.495804
  C      -7.705901     -7.399981      6.154195
  C      -7.850182     -6.105414      5.828963
  C      -7.532704     -5.019753      6.816142
  C      -8.377635     -5.718886      4.467771
  C      -7.440015     -4.860713      3.546103
  C      -7.934081     -5.038740      2.091688
  C      -7.589182     -3.371502      3.875958
  C      -2.972892     -5.951022      9.057775
  C      -2.814831     -6.184779      7.745468
  C      -3.829641     -6.970058      6.964786
  C      -1.591451     -5.695786      7.012308
  C      -1.783124     -4.493918      6.017983
  C      -0.377513     -4.003087      5.598876
  C      -2.431466     -3.352150      6.793620
  H      -0.752116      1.137370      0.541080
  H      -1.833474     -0.121238     -0.304806
  H      -1.075236     -0.142676      3.809529
  H       0.025788      0.798025      2.765625
  H       0.329667     -0.929604      3.094870
  H      -1.498731     -2.545878      2.508988
  H      -1.930622     -2.398103      0.796878
  H      -4.045046     -0.069512      1.051616
  H      -5.415467     -1.145459      1.431327
  H      -4.271043     -1.566709      0.133392
  H      -4.706703     -1.059826      3.813162
  H      -3.061337     -1.516060      4.303481
  H      -3.328879     -0.031648      3.344463
  H      -7.925342     -8.196557      5.439903
  H      -7.362928     -7.701894      7.146369
  H      -8.363724     -4.300641      6.898844
  H      -6.641211     -4.451298      6.495579
  H      -7.333025     -5.439339      7.812067
  H      -8.649774     -6.642607      3.933928
  H      -9.317093     -5.150756      4.591370
  H      -7.815355     -6.074104      1.743025
  H      -7.368531     -4.376041      1.420304
  H      -9.001846     -4.781581      2.012905
  H      -8.632000     -3.067959      3.704145
  H      -7.320058     -3.147726      4.912013
  H      -6.941351     -2.769173      3.222164
  H      -3.849144     -6.314546      9.599047
  H      -2.232479     -5.386524      9.628911
  H      -4.267076     -6.356110      6.163040
  H      -3.357088     -7.833738      6.467149
  H      -4.641788     -7.337093      7.606193
  H      -0.841655     -5.372535      7.750354
  H      -1.142789     -6.541687      6.464930
  H       0.247927     -4.806462      5.187149
  H       0.147682     -3.585954      6.469590
  H      -0.472379     -3.212228      4.839495
  H      -3.447199     -3.599892      7.116895
  H      -1.821766     -3.144668      7.685375
  H      -2.476598     -2.439804      6.184508
  N      -4.924557     -3.211406      5.354016
  H      -5.150676     -2.276626      5.709780
85
Coordinates from ORCA-job orca E -5421.403503835467
  N      -3.969183     -3.249149      2.357284
  C      -3.994443     -4.023276      1.109414
  C      -3.175189     -5.294471      1.275868
  N      -3.679452     -6.003487      2.463051
  C      -4.871260     -6.822369      2.167749
  C      -5.812483     -6.711723      3.356048
  N      -6.034636     -5.300035      3.650569
  Mo     -4.329966     -4.257494      4.043476
  N      -2.554491     -4.894698      4.798847
  C      -1.768868     -5.808552      3.961829
  C      -2.656477     -6.761469      3.192394
  H      -1.078994     -6.421389      4.564867
  H      -1.125885     -5.245680      3.256162
  H      -3.181044     -7.415553      3.903713
  H      -2.059532     -7.399379      2.511029
  H      -6.751661     -7.241733      3.134462
  H      -5.379254     -7.234891      4.227798
  H      -5.364805     -6.406001      1.279476
  H      -4.581195     -7.866448      1.943597
  H      -3.593070     -3.454560      0.257740
  H      -5.036019     -4.287124      0.848007
  H      -2.125688     -5.019536      1.449047
  H      -3.220959     -5.938406      0.377092
  C      -1.270572      0.174793      0.598315
  C      -1.254510     -0.585685      1.704057
  C      -0.450045     -0.193236      2.913565
  C      -1.996767     -1.899584      1.781959
  C      -3.510693     -1.845671      2.192222
  C      -4.353030     -1.116450      1.130037
  C      -3.664022     -1.068288      3.496823
  C      -7.705257     -7.382062      6.171800
  C      -7.849336     -6.090356      5.835466
  C      -7.526604     -4.996354      6.811990
  C      -8.379007     -5.716027      4.471744
  C      -7.444127     -4.866244      3.540992
  C      -7.942090     -5.056907      2.089394
  C      -7.595551     -3.374672      3.858331
  C      -2.952754     -5.969599      9.054919
  C      -2.801403     -6.194472      7.740282
  C      -3.819415     -6.975767      6.959924
  C      -1.584618     -5.695913      7.003072
  C      -1.788347     -4.489546      6.017819
  C      -0.387394     -3.987945      5.596279
  C      -2.441123     -3.356943      6.803520
  H      -0.732334      1.123880      0.552083
  H      -1.818902     -0.128789     -0.295868
  H      -1.072027     -0.149957      3.820394
  H       0.038836      0.780830      2.778181
  H       0.329037     -0.948447      3.111406
  H      -1.506456     -2.553403      2.520914
  H      -1.929608     -2.404697      0.806686
  H      -4.035093     -0.068550      1.048693
  H      -5.412199     -1.137095      1.425146
  H      -4.265430     -1.566209      0.132057
  H      -4.715796     -1.058250      3.809853
  H      -3.072614     -1.514279      4.307145
  H      -3.335835     -0.030573      3.346405
  H      -7.930048     -8.184669      5.465721
  H      -7.354653     -7.675354      7.163863
  H      -8.358554     -4.277976      6.893800
  H      -6.638380     -4.428985      6.483647
  H      -7.321019     -5.407801      7.809883
  H      -8.651016     -6.644762      3.946732
  H      -9.318378     -5.147171      4.591493
  H      -7.823064     -6.094839      1.748442
  H      -7.379722     -4.398709      1.411089
  H      -9.010507     -4.801832      2.011808
  H      -8.638690     -3.073932      3.682539
  H      -7.328551     -3.142108      4.892692
  H      -6.947194     -2.777191      3.200932
  H      -3.825122     -6.338757      9.598649
  H      -2.210670     -5.406794      9.625533
  H      -4.262507     -6.356268      6.165479
  H      -3.348525     -7.835146      6.453374
  H      -4.626740     -7.348317      7.604205
  H      -0.831960     -5.373578      7.738633
  H      -1.135245     -6.536364      6.447730
  H       0.240798     -4.784817      5.175881
  H       0.139216     -3.574199      6.467753
  H      -0.489893     -3.192173      4.843177
  H      -3.454016     -3.613325      7.128967
  H      -1.829335     -3.151041      7.694289
  H      -2.494678     -2.441099      6.200585
  N      -4.938458     -3.214557      5.352495
  H      -5.170150     -2.280464      5.706841
85
Coordinates from ORCA-job orca E -5421.403506975586
  N      -3.968622     -3.248787      2.357032
  C      -3.993926     -4.023288      1.109420
  C      -3.174738     -5.294447      1.276355
  N      -3.679346     -6.002933      2.463713
  C      -4.871305     -6.821446      2.168259
  C      -5.812321     -6.710883      3.356727
  N      -6.034084     -5.299157      3.651577
  Mo     -4.329063     -4.256874      4.043586
  N      -2.553790     -4.894268      4.798868
  C      -1.768601     -5.809318      3.962652
  C      -2.656755     -6.761596      3.193031
  H      -1.079827     -6.422671      4.566453
  H      -1.124534     -5.247436      3.257203
  H      -3.181723     -7.415497      3.904202
  H      -2.060209     -7.399753      2.511575
  H      -6.751663     -7.240502      3.134869
  H      -5.379250     -7.234498      4.228338
  H      -5.364874     -6.404629      1.280203
  H      -4.581408     -7.865506      1.943705
  H      -3.592395     -3.454853      0.257604
  H      -5.035523     -4.287084      0.847901
  H      -2.125301     -5.019415      1.449783
  H      -3.220265     -5.938797      0.377892
  C      -1.269389      0.173881      0.596762
  C      -1.253627     -0.585970      1.702943
  C      -0.449698     -0.192757      2.912581
  C      -1.996018     -1.899725      1.781569
  C      -3.510038     -1.845431      2.191344
  C      -4.352011     -1.116933      1.128402
  C      -3.663604     -1.067209      3.495439
  C      -7.704203     -7.378438      6.174930
  C      -7.850336     -6.087051      5.838236
  C      -7.531618     -4.992386      6.815389
  C      -8.378664     -5.714427      4.473509
  C      -7.443932     -4.865326      3.542171
  C      -7.942075     -5.058186      2.090968
  C      -7.597194     -3.373534      3.857352
  C      -2.954482     -5.974762      9.051358
  C      -2.799781     -6.198848      7.736983
  C      -3.814054     -6.982731      6.954425
  C      -1.583179     -5.696238      7.002271
  C      -1.788458     -4.489124      6.018345
  C      -0.388215     -3.983919      5.598622
  C      -2.444571     -3.358852      6.804698
  H      -0.731159      1.122966      0.550181
  H      -1.817613     -0.130073     -0.297362
  H      -1.072134     -0.149128      3.819111
  H       0.039152      0.781286      2.776934
  H       0.329357     -0.947791      3.111164
  H      -1.505998     -2.553027      2.521207
  H      -1.928531     -2.405663      0.806760
  H      -4.034389     -0.068965      1.046755
  H      -5.411338     -1.137825      1.422947
  H      -4.263681     -1.567156      0.130693
  H      -4.715434     -1.056781      3.808192
  H      -3.072392     -1.512685      4.306157
  H      -3.335194     -0.029621      3.344413
  H      -7.926665     -8.181565      5.468587
  H      -7.352870     -7.670799      7.166996
  H      -8.367051     -4.278135      6.898562
  H      -6.646399     -4.420513      6.487636
  H      -7.323625     -5.403892      7.812701
  H      -8.649313     -6.644107      3.949487
  H      -9.318577     -5.146220      4.591695
  H      -7.822806     -6.096605      1.751561
  H      -7.380004     -4.400804      1.411664
  H      -9.010586     -4.803508      2.013181
  H      -8.640914     -3.074572      3.681383
  H      -7.330351     -3.139178      4.891211
  H      -6.949939     -2.776111      3.198926
  H      -3.826856     -6.346634      9.593228
  H      -2.215192     -5.409999      9.623650
  H      -4.258515     -6.363607      6.160462
  H      -3.339573     -7.839717      6.447197
  H      -4.620663     -7.358860      7.597509
  H      -0.832469     -5.372852      7.739387
  H      -1.130819     -6.534830      6.446534
  H       0.242268     -4.778941      5.178274
  H       0.136523     -3.569686      6.471002
  H      -0.491691     -3.187697      4.846100
  H      -3.457154     -3.618072      7.129060
  H      -1.833985     -3.152401      7.696144
  H      -2.499827     -2.442449      6.202714
  N      -4.936780     -3.214217      5.352901
  H      -5.168843     -2.280076      5.707206
85
Coordinates from ORCA-job orca E -5421.403511451384
  N      -3.967370     -3.249113      2.356176
  C      -3.991940     -4.024033      1.108773
  C      -3.173372     -5.295434      1.277065
  N      -3.679600     -6.003205      2.464194
  C      -4.871938     -6.820846      2.167618
  C      -5.813545     -6.709960      3.355551
  N      -6.034521     -5.298083      3.650670
  Mo     -4.329108     -4.256747      4.042817
  N      -2.554779     -4.895039      4.799400
  C      -1.769738     -5.811457      3.964478
  C      -2.658296     -6.762938      3.194294
  H      -1.082443     -6.425382      4.569390
  H      -1.124093     -5.250722      3.259579
  H      -3.184500     -7.416116      3.905206
  H      -2.062122     -7.401853      2.513251
  H      -6.753082     -7.238908      3.132974
  H      -5.381294     -7.234181      4.227209
  H      -5.364553     -6.403449      1.279307
  H      -4.582550     -7.865047      1.943061
  H      -3.589165     -3.456143      0.257181
  H      -5.033407     -4.287316      0.846200
  H      -2.124144     -5.020367      1.451770
  H      -3.217812     -5.940338      0.378958
  C      -1.269496      0.174929      0.596199
  C      -1.253712     -0.584664      1.702549
  C      -0.450971     -0.190436      2.912661
  C      -1.995104     -1.898987      1.781245
  C      -3.509325     -1.845538      2.190272
  C      -4.351422     -1.117758      1.126981
  C      -3.663715     -1.067512      3.494380
  C      -7.702405     -7.380825      6.173459
  C      -7.845937     -6.088704      5.838412
  C      -7.520834     -4.995972      6.815716
  C      -8.377676     -5.713460      4.475752
  C      -7.444433     -4.863972      3.543499
  C      -7.944814     -5.055496      2.092843
  C      -7.597110     -3.372480      3.860213
  C      -2.964008     -5.970263      9.049067
  C      -2.803727     -6.198079      7.736008
  C      -3.813089     -6.986933      6.952036
  C      -1.585609     -5.694937      7.004170
  C      -1.789563     -4.488854      6.018655
  C      -0.388805     -3.985197      5.598906
  C      -2.445339     -3.357197      6.803297
  H      -0.732074      1.124482      0.549786
  H      -1.816984     -0.129594     -0.298182
  H      -1.074144     -0.147511      3.818744
  H       0.036839      0.784171      2.777336
  H       0.328795     -0.944571      3.111803
  H      -1.504989     -2.551609      2.521406
  H      -1.926651     -2.405212      0.806670
  H      -4.034776     -0.069479      1.045459
  H      -5.410870     -1.139661      1.421013
  H      -4.262157     -1.567936      0.129339
  H      -4.715669     -1.057400      3.806706
  H      -3.072411     -1.512654      4.305210
  H      -3.335631     -0.029785      3.343423
  H      -7.929539     -8.182698      5.467177
  H      -7.348450     -7.674913      7.164081
  H      -8.354949     -4.280813      6.904121
  H      -6.636054     -4.425033      6.485124
  H      -7.308861     -5.409510      7.811361
  H      -8.650536     -6.642196      3.951204
  H      -9.316712     -5.144528      4.597313
  H      -7.826426     -6.093694      1.752480
  H      -7.383343     -4.397853      1.413292
  H      -9.013318     -4.800277      2.016702
  H      -8.641095     -3.073447      3.685738
  H      -7.329270     -3.138985      4.894019
  H      -6.950760     -2.774434      3.201496
  H      -3.837561     -6.342499      9.588782
  H      -2.228245     -5.401993      9.622428
  H      -4.257000     -6.370773      6.155412
  H      -3.334340     -7.843380      6.447933
  H      -4.620600     -7.364135      7.593333
  H      -0.837117     -5.370045      7.742880
  H      -1.131023     -6.533597      6.450399
  H       0.241383     -4.781448      5.180461
  H       0.135650     -3.569698      6.470858
  H      -0.491250     -3.190259      4.844863
  H      -3.457907     -3.615689      7.128257
  H      -1.834528     -3.149538      7.694310
  H      -2.500343     -2.441670      6.199963
  N      -4.935966     -3.213831      5.351574
  H      -5.167352     -2.279410      5.705638
85
Coordinates from ORCA-job orca E -5421.403516308431
  N      -3.965419     -3.248650      2.354680
  C      -3.988665     -4.024344      1.107720
  C      -3.170848     -5.295942      1.278421
  N      -3.679535     -6.002422      2.465402
  C      -4.872383     -6.818934      2.167068
  C      -5.815013     -6.707971      3.354090
  N      -6.034677     -5.295936      3.650045
  Mo     -4.328920     -4.255486      4.041717
  N      -2.556374     -4.895297      4.800865
  C      -1.771094     -5.813376      3.967919
  C      -2.659918     -6.763717      3.196479
  H      -1.086009     -6.427994      4.574653
  H      -1.123102     -5.253966      3.264130
  H      -3.187675     -7.416403      3.906662
  H      -2.064066     -7.403173      2.515724
  H      -6.754864     -7.235619      3.129797
  H      -5.384429     -7.233646      4.225675
  H      -5.363730     -6.400514      1.278529
  H      -4.583651     -7.863245      1.942246
  H      -3.583849     -3.457337      0.256466
  H      -5.029860     -4.286931      0.843328
  H      -2.122065     -5.020437      1.455195
  H      -3.213306     -5.942054      0.381096
  C      -1.269265      0.175021      0.592344
  C      -1.252654     -0.583415      1.699446
  C      -0.448958     -0.187965      2.908571
  C      -1.993418     -1.898014      1.779898
  C      -3.507794     -1.844936      2.188286
  C      -4.349956     -1.118255      1.124449
  C      -3.663378     -1.067250      3.492539
  C      -7.697371     -7.385260      6.173127
  C      -7.840197     -6.092317      5.840814
  C      -7.512093     -5.002269      6.820203
  C      -8.375551     -5.713982      4.480352
  C      -7.444835     -4.861870      3.548083
  C      -7.948472     -5.048632      2.097842
  C      -7.596454     -3.371392      3.870041
  C      -2.989219     -5.960590      9.040338
  C      -2.812321     -6.198111      7.731149
  C      -3.806705     -7.001319      6.942408
  C      -1.590227     -5.691722      7.008201
  C      -1.791367     -4.487490      6.019838
  C      -0.389570     -3.987238      5.600058
  C      -2.446119     -3.353392      6.801909
  H      -0.731955      1.124576      0.544684
  H      -1.817195     -0.130419     -0.301456
  H      -1.071531     -0.144686      3.815023
  H       0.038360      0.786744      2.772241
  H       0.331222     -0.941685      3.107644
  H      -1.503175     -2.549429      2.521016
  H      -1.924330     -2.405422      0.805982
  H      -4.034429     -0.069649      1.042708
  H      -5.409542     -1.141249      1.417871
  H      -4.259559     -1.568748      0.127046
  H      -4.715376     -1.058227      3.804678
  H      -3.070977     -1.511161      4.303186
  H      -3.336639     -0.029093      3.341408
  H      -7.927008     -8.185611      5.466040
  H      -7.341392     -7.681169      7.162478
  H      -8.348200     -4.290448      6.916853
  H      -6.630471     -4.427584      6.487478
  H      -7.293163     -5.419415      7.812907
  H      -8.649090     -6.641789      3.954527
  H      -9.314623     -5.145910      4.605713
  H      -7.830918     -6.085708      1.753821
  H      -7.388137     -4.388907      1.419325
  H      -9.017037     -4.792913      2.024680
  H      -8.640527     -3.071721      3.697232
  H      -7.328555     -3.141365      4.904656
  H      -6.950604     -2.771076      3.212857
  H      -3.866027     -6.334877      9.573315
  H      -2.264397     -5.381850      9.617148
  H      -4.248164     -6.393954      6.137618
  H      -3.315163     -7.856288      6.448251
  H      -4.617343     -7.381679      7.577840
  H      -0.848421     -5.362856      7.751884
  H      -1.128495     -6.529514      6.459126
  H       0.239325     -4.785837      5.184045
  H       0.134995     -3.570617      6.471410
  H      -0.489829     -3.193898      4.844052
  H      -3.458259     -3.610677      7.128863
  H      -1.834153     -3.143580      7.691676
  H      -2.501068     -2.439397      6.196373
  N      -4.934269     -3.212981      5.349086
  H      -5.165208     -2.278263      5.702267
85
Coordinates from ORCA-job orca E -5421.403517351353
  N      -3.964912     -3.249152      2.354256
  C      -3.987833     -4.024812      1.107266
  C      -3.170256     -5.296513      1.278105
  N      -3.679513     -6.003002      2.464847
  C      -4.872802     -6.818727      2.166205
  C      -5.815407     -6.708180      3.353311
  N      -6.034387     -5.296326      3.650668
  Mo     -4.328159     -4.256087      4.041342
  N      -2.555594     -4.896273      4.800169
  C      -1.771064     -5.815379      3.967655
  C      -2.660482     -6.764985      3.196020
  H      -1.086760     -6.430540      4.574733
  H      -1.122342     -5.256744      3.263906
  H      -3.188702     -7.417503      3.905996
  H      -2.064873     -7.404710      2.515293
  H      -6.755587     -7.234981      3.128398
  H      -5.385274     -7.235006      4.224422
  H      -5.364051     -6.399504      1.277995
  H      -4.584614     -7.863036      1.940633
  H      -3.582857     -3.457795      0.256097
  H      -5.028979     -4.287339      0.842620
  H      -2.121472     -5.021300      1.455259
  H      -3.212605     -5.942464      0.380642
  C      -1.269037      0.176234      0.594141
  C      -1.253255     -0.582400      1.701139
  C      -0.451372     -0.186630      2.911326
  C      -1.993377     -1.897408      1.780532
  C      -3.508017     -1.845218      2.187875
  C      -4.349917     -1.119087      1.123426
  C      -3.664710     -1.067280      3.491840
  C      -7.699708     -7.387991      6.171889
  C      -7.839899     -6.094456      5.840803
  C      -7.508738     -5.006014      6.820891
  C      -8.375559     -5.713779      4.481006
  C      -7.444492     -4.861589      3.549156
  C      -7.948144     -5.047345      2.098849
  C      -7.595650     -3.371208      3.872020
  C      -2.992502     -5.953908      9.039681
  C      -2.814036     -6.194983      7.731360
  C      -3.808062     -6.999325      6.943367
  C      -1.590802     -5.691150      7.008515
  C      -1.790143     -4.487980      6.018586
  C      -0.387630     -3.989938      5.598492
  C      -2.443513     -3.352048      6.799185
  H      -0.732320      1.126163      0.547288
  H      -1.815722     -0.129409     -0.300347
  H      -1.075087     -0.143891      3.817034
  H       0.035497      0.788406      2.775730
  H       0.329047     -0.939895      3.111233
  H      -1.503343     -2.548780      2.521834
  H      -1.923296     -2.404492      0.806518
  H      -4.034671     -0.070410      1.041496
  H      -5.409638     -1.142309      1.416342
  H      -4.258914     -1.569874      0.126208
  H      -4.716873     -1.058783      3.803415
  H      -3.072504     -1.510736      4.302888
  H      -3.338473     -0.028955      3.340726
  H      -7.931824     -8.187189      5.464321
  H      -7.343573     -7.685616      7.160670
  H      -8.343320     -4.292547      6.918888
  H      -6.626479     -4.432587      6.487916
  H      -7.289818     -5.424487      7.813025
  H      -8.650714     -6.640529      3.954167
  H      -9.313868     -5.144724      4.607678
  H      -7.830163     -6.084127      1.754060
  H      -7.388145     -4.386844      1.420821
  H      -9.016827     -4.792017      2.025968
  H      -8.639538     -3.070968      3.699164
  H      -7.327858     -3.142044      4.906811
  H      -6.949411     -2.770701      3.215411
  H      -3.870470     -6.325894      9.572362
  H      -2.267919     -5.374400      9.616009
  H      -4.248008     -6.393644      6.136457
  H      -3.316507     -7.856100      6.452325
  H      -4.619808     -7.377448      7.578731
  H      -0.849078     -5.362060      7.752178
  H      -1.129580     -6.530167      6.460837
  H       0.240275     -4.789628      5.183096
  H       0.137449     -3.573325      6.469536
  H      -0.486818     -3.197061      4.841867
  H      -3.455794     -3.607940      7.126842
  H      -1.831050     -3.141535      7.688451
  H      -2.497711     -2.438851      6.192375
  N      -4.932947     -3.213779      5.348913
  H      -5.163810     -2.279070      5.702200
85
Coordinates from ORCA-job orca E -5421.403518450818
  N      -3.963630     -3.249735      2.353467
  C      -3.985241     -4.025529      1.106533
  C      -3.168183     -5.297355      1.278274
  N      -3.679058     -6.003730      2.464369
  C      -4.873106     -6.817950      2.164781
  C      -5.815966     -6.707996      3.351744
  N      -6.033663     -5.296454      3.651356
  Mo     -4.326592     -4.256676      4.040767
  N      -2.553980     -4.897320      4.799340
  C      -1.770956     -5.819116      3.968457
  C      -2.661569     -6.767103      3.196207
  H      -1.089010     -6.435591      4.576912
  H      -1.119938     -5.262638      3.265100
  H      -3.191153     -7.419064      3.905657
  H      -2.066353     -7.407647      2.515877
  H      -6.756703     -7.233279      3.125612
  H      -5.386805     -7.236764      4.222169
  H      -5.363885     -6.397320      1.276976
  H      -4.585874     -7.862286      1.938063
  H      -3.579429     -3.458638      0.255691
  H      -5.026145     -4.287990      0.840777
  H      -2.119517     -5.022605      1.456753
  H      -3.209737     -5.943102      0.380593
  C      -1.270629      0.178850      0.594986
  C      -1.254727     -0.580064      1.701817
  C      -0.454126     -0.183743      2.912626
  C      -1.993497     -1.895860      1.780403
  C      -3.508401     -1.845361      2.186833
  C      -4.350356     -1.120479      1.121494
  C      -3.666810     -1.066746      3.490193
  C      -7.699790     -7.391750      6.170239
  C      -7.838462     -6.097529      5.841277
  C      -7.504570     -5.010968      6.822385
  C      -8.374672     -5.713975      4.482418
  C      -7.443752     -4.860619      3.551516
  C      -7.948195     -5.043526      2.101213
  C      -7.594160     -3.370728      3.877393
  C      -3.002575     -5.943624      9.036925
  C      -2.818804     -6.191531      7.730626
  C      -3.809526     -7.000243      6.943012
  C      -1.593003     -5.690941      7.009741
  C      -1.788436     -4.488987      6.017517
  C      -0.384297     -3.994982      5.597986
  C      -2.439223     -3.349832      6.795659
  H      -0.735008      1.129425      0.548715
  H      -1.816394     -0.127227     -0.299910
  H      -1.078351     -0.142051      3.818028
  H       0.031697      0.791893      2.777587
  H       0.327067     -0.936179      3.112672
  H      -1.503145     -2.546863      2.521821
  H      -1.922331     -2.402690      0.806319
  H      -4.035964     -0.071576      1.039186
  H      -5.410238     -1.144446      1.413776
  H      -4.258352     -1.571720      0.124576
  H      -4.719222     -1.059215      3.800994
  H      -3.074837     -1.509289      4.301929
  H      -3.341594     -0.028134      3.338887
  H      -7.933740     -8.189512      5.461632
  H      -7.343156     -7.691546      7.158183
  H      -8.337875     -4.296205      6.922191
  H      -6.622236     -4.438068      6.488918
  H      -7.285095     -5.430984      7.813725
  H      -8.651195     -6.639381      3.953930
  H      -9.312407     -5.144349      4.610916
  H      -7.829842     -6.079535      1.754254
  H      -7.389047     -4.381247      1.424230
  H      -9.017087     -4.788682      2.029572
  H      -8.637971     -3.069597      3.705745
  H      -7.325526     -3.143952      4.912478
  H      -6.948017     -2.769152      3.221698
  H      -3.882886     -6.312621      9.567822
  H      -2.280234     -5.361344      9.613265
  H      -4.246642     -6.398971      6.131298
  H      -3.315625     -7.859725      6.459044
  H      -4.623519     -7.375381      7.577296
  H      -0.852504     -5.361518      7.754484
  H      -1.131494     -6.531453      6.464532
  H       0.241927     -4.796447      5.183536
  H       0.141255     -3.579066      6.469068
  H      -0.480987     -3.202398      4.840726
  H      -3.451883     -3.603116      7.124169
  H      -1.826071     -3.138516      7.684267
  H      -2.491597     -2.437829      6.186856
  N      -4.930626     -3.214704      5.348607
  H      -5.161442     -2.280216      5.702600
