85
Coordinates from ORCA-job orca E -5421.123474215473
  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 -5421.165365289384
  N      -3.923305     -3.427495      2.630994
  C      -3.924239     -4.025342      1.300198
  C      -3.144341     -5.326977      1.316510
  N      -3.602818     -6.126695      2.457271
  C      -4.833562     -6.878334      2.148723
  C      -5.698697     -6.946237      3.414808
  N      -5.911950     -5.610808      3.940476
  Mo     -4.013422     -4.770608      4.109330
  N      -2.060393     -5.194875      4.474751
  C      -1.479823     -6.264843      3.676300
  C      -2.555165     -7.039977      2.926171
  H      -0.937292     -6.997924      4.296896
  H      -0.738868     -5.864164      2.957871
  H      -3.021348     -7.757004      3.612062
  H      -2.114956     -7.606764      2.088779
  H      -6.631431     -7.478496      3.175194
  H      -5.182757     -7.571821      4.163003
  H      -5.389582     -6.337427      1.378941
  H      -4.598643     -7.883664      1.765299
  H      -3.464189     -3.378309      0.543115
  H      -4.961525     -4.212154      0.968458
  H      -2.089579     -5.080022      1.477636
  H      -3.243713     -5.883338      0.371275
  C      -1.745939      0.436893      1.188915
  C      -1.596493     -0.399968      2.218136
  C      -0.813498     -0.003253      3.440167
  C      -2.138793     -1.805719      2.195126
  C      -3.661045     -1.976100      2.542658
  C      -4.559006     -1.303214      1.482992
  C      -3.936153     -1.237779      3.853172
  C      -7.359871     -5.759396      6.860961
  C      -8.294568     -5.310607      6.019406
  C      -9.375966     -4.365574      6.462921
  C      -8.330946     -5.743348      4.578937
  C      -7.242704     -5.071542      3.657858
  C      -7.699796     -5.304213      2.193558
  C      -7.276227     -3.547336      3.851582
  C      -3.231693     -5.406282      8.423279
  C      -2.808853     -5.968325      7.286982
  C      -3.733689     -6.745520      6.403457
  C      -1.394316     -5.845314      6.805309
  C      -1.213710     -4.835503      5.611184
  C       0.290925     -4.813515      5.254339
  C      -1.549811     -3.424498      6.111006
  H      -1.349361      1.447454      1.211371
  H      -2.267641      0.150297      0.281337
  H      -1.382099     -0.192251      4.355562
  H      -0.537686      1.053969      3.406541
  H       0.107249     -0.597164      3.496378
  H      -1.598955     -2.428683      2.919479
  H      -1.972733     -2.229083      1.196977
  H      -4.465454     -0.218798      1.562641
  H      -5.604071     -1.575827      1.658251
  H      -4.296066     -1.589468      0.461626
  H      -5.001539     -1.282470      4.090308
  H      -3.363663     -1.685896      4.660989
  H      -3.655783     -0.186832      3.744995
  H      -6.619781     -6.481214      6.534375
  H      -7.319895     -5.448229      7.900713
  H     -10.338859     -4.891335      6.474400
  H      -9.474206     -3.522751      5.771120
  H      -9.183017     -3.983001      7.468708
  H      -8.185413     -6.829553      4.519631
  H      -9.313791     -5.511914      4.155610
  H      -7.758071     -6.363790      1.929267
  H      -7.012265     -4.802827      1.506141
  H      -8.693408     -4.872647      2.049883
  H      -8.169998     -3.126754      3.380747
  H      -7.284250     -3.269423      4.905269
  H      -6.386915     -3.129065      3.381260
  H      -4.252633     -5.522521      8.775885
  H      -2.565393     -4.836601      9.062837
  H      -3.931000     -6.149517      5.476498
  H      -3.271355     -7.687811      6.088783
  H      -4.677902     -6.964727      6.905932
  H      -0.744403     -5.515057      7.622089
  H      -1.041507     -6.831224      6.471794
  H       0.700480     -5.812898      5.085186
  H       0.847471     -4.356753      6.076088
  H       0.452870     -4.213792      4.353194
  H      -2.623965     -3.320863      6.257767
  H      -1.036866     -3.222138      7.054525
  H      -1.221595     -2.690612      5.370517
  N      -4.733358     -3.401858      5.425032
  H      -5.106131     -2.715094      6.085647
85
Coordinates from ORCA-job orca E -5421.201050617281
  N      -3.929025     -3.422454      2.622057
  C      -3.930114     -4.030689      1.283203
  C      -3.148976     -5.329387      1.299567
  N      -3.609360     -6.135229      2.448556
  C      -4.848060     -6.894823      2.139209
  C      -5.699718     -6.959165      3.406471
  N      -5.904003     -5.609854      3.934600
  Mo     -4.022355     -4.758639      4.106938
  N      -2.072949     -5.194340      4.467619
  C      -1.483854     -6.272822      3.670211
  C      -2.553200     -7.054639      2.924832
  H      -0.940565     -7.000165      4.296120
  H      -0.741088     -5.870516      2.955028
  H      -3.021076     -7.771542      3.613242
  H      -2.114487     -7.624345      2.088455
  H      -6.635828     -7.488877      3.176104
  H      -5.182698     -7.585269      4.155309
  H      -5.404882     -6.353359      1.366674
  H      -4.612492     -7.900806      1.755425
  H      -3.469525     -3.384986      0.525597
  H      -4.969007     -4.215618      0.951697
  H      -2.091591     -5.082451      1.459554
  H      -3.248025     -5.890011      0.356443
  C      -1.721316      0.448968      1.181829
  C      -1.579689     -0.391554      2.218431
  C      -0.797617     -0.001540      3.446142
  C      -2.133469     -1.796785      2.192938
  C      -3.660744     -1.956339      2.536584
  C      -4.561076     -1.284259      1.477108
  C      -3.936244     -1.215082      3.847172
  C      -7.357862     -5.778613      6.871947
  C      -8.295700     -5.325750      6.026857
  C      -9.385277     -4.388806      6.474537
  C      -8.326248     -5.748012      4.577311
  C      -7.248407     -5.065444      3.653706
  C      -7.701717     -5.297217      2.187996
  C      -7.291824     -3.540250      3.855681
  C      -3.234387     -5.393271      8.450914
  C      -2.812565     -5.959895      7.311256
  C      -3.743443     -6.745396      6.438180
  C      -1.398880     -5.833740      6.816006
  C      -1.219545     -4.826813      5.618364
  C       0.281236     -4.810532      5.248181
  C      -1.549383     -3.411786      6.119097
  H      -1.315320      1.461423      1.206211
  H      -2.244464      0.161467      0.268209
  H      -1.371459     -0.187273      4.365068
  H      -0.511284      1.056966      3.416312
  H       0.121904     -0.605154      3.508816
  H      -1.596253     -2.424018      2.920608
  H      -1.964877     -2.223499      1.193203
  H      -4.464489     -0.196591      1.557509
  H      -5.610627     -1.555250      1.655831
  H      -4.302548     -1.569382      0.450077
  H      -5.006812     -1.254181      4.085973
  H      -3.367156     -1.654783      4.669433
  H      -3.651309     -0.162406      3.732403
  H      -6.608958     -6.496849      6.541175
  H      -7.323820     -5.472509      7.918985
  H     -10.351343     -4.918473      6.477485
  H      -9.487500     -3.536206      5.787499
  H      -9.199321     -4.011324      7.487861
  H      -8.176346     -6.836563      4.510799
  H      -9.312323     -5.518748      4.151822
  H      -7.755754     -6.359394      1.915594
  H      -7.016642     -4.787825      1.496652
  H      -8.700943     -4.868930      2.049375
  H      -8.194820     -3.126576      3.388349
  H      -7.297650     -3.267740      4.915431
  H      -6.409283     -3.098232      3.385493
  H      -4.259348     -5.512393      8.807278
  H      -2.562544     -4.815625      9.087352
  H      -3.942474     -6.155293      5.504751
  H      -3.284050     -7.691197      6.116631
  H      -4.690575     -6.961416      6.941513
  H      -0.741261     -5.497226      7.627803
  H      -1.045395     -6.824465      6.484134
  H       0.689072     -5.815001      5.077607
  H       0.844711     -4.351890      6.068834
  H       0.441558     -4.210443      4.341463
  H      -2.625258     -3.294891      6.276777
  H      -1.027011     -3.212775      7.062487
  H      -1.220945     -2.673942      5.374694
  N      -4.654836     -3.482219      5.359954
  H      -5.021913     -2.799190      6.030753
85
Coordinates from ORCA-job orca E -5421.223775230329
  N      -3.938933     -3.416946      2.615706
  C      -3.937717     -4.032199      1.273690
  C      -3.153193     -5.328985      1.289368
  N      -3.615093     -6.140428      2.439849
  C      -4.854795     -6.906105      2.127980
  C      -5.697723     -6.967446      3.396403
  N      -5.895086     -5.609887      3.926264
  Mo     -4.037076     -4.742774      4.106534
  N      -2.091665     -5.187898      4.465861
  C      -1.494071     -6.270326      3.670611
  C      -2.554946     -7.059771      2.924081
  H      -0.950234     -6.990855      4.303342
  H      -0.749103     -5.864066      2.961039
  H      -3.026053     -7.776532      3.611406
  H      -2.114445     -7.630465      2.089497
  H      -6.637445     -7.493637      3.174603
  H      -5.181855     -7.592321      4.147171
  H      -5.409506     -6.364667      1.352909
  H      -4.615879     -7.911443      1.743731
  H      -3.476195     -3.383891      0.518472
  H      -4.976587     -4.214586      0.941450
  H      -2.095285     -5.082430      1.451354
  H      -3.249406     -5.891784      0.347199
  C      -1.709865      0.443619      1.176311
  C      -1.573710     -0.394732      2.217238
  C      -0.791553     -0.007368      3.445486
  C      -2.137151     -1.797897      2.192944
  C      -3.664975     -1.945174      2.535182
  C      -4.562043     -1.277008      1.472715
  C      -3.941046     -1.200384      3.843225
  C      -7.352293     -5.806132      6.866922
  C      -8.288450     -5.339879      6.025845
  C      -9.376162     -4.405275      6.483025
  C      -8.317999     -5.746225      4.569480
  C      -7.245515     -5.056141      3.649952
  C      -7.695093     -5.279529      2.183946
  C      -7.285870     -3.533862      3.869042
  C      -3.235375     -5.381578      8.475400
  C      -2.817776     -5.950675      7.334183
  C      -3.753964     -6.743655      6.474506
  C      -1.408267     -5.820710      6.823648
  C      -1.232654     -4.815732      5.626047
  C       0.262821     -4.804236      5.240916
  C      -1.553629     -3.400237      6.128795
  H      -1.296907      1.454635      1.199677
  H      -2.233984      0.153492      0.262472
  H      -1.366918     -0.187361      4.366481
  H      -0.496745      1.049959      3.415796
  H       0.124691     -0.617907      3.513923
  H      -1.602426     -2.427030      2.922155
  H      -1.968871     -2.228922      1.194019
  H      -4.462083     -0.188139      1.549582
  H      -5.613738     -1.544066      1.651975
  H      -4.304692     -1.564798      0.444890
  H      -5.013367     -1.232312      4.083210
  H      -3.375756     -1.629346      4.676286
  H      -3.651868     -0.148904      3.720686
  H      -6.604677     -6.522863      6.527306
  H      -7.318014     -5.510798      7.918577
  H     -10.346691     -4.929623      6.477193
  H      -9.476324     -3.542334      5.806280
  H      -9.192528     -4.039378      7.502260
  H      -8.172127     -6.835308      4.491483
  H      -9.304650     -5.511696      4.144966
  H      -7.750168     -6.340284      1.901967
  H      -7.011139     -4.765375      1.493080
  H      -8.695673     -4.849879      2.050232
  H      -8.192380     -3.116910      3.409983
  H      -7.286759     -3.273785      4.934109
  H      -6.408209     -3.075336      3.401251
  H      -4.260307     -5.503954      8.835414
  H      -2.560029     -4.798056      9.105267
  H      -3.956144     -6.160659      5.537260
  H      -3.297513     -7.690455      6.147364
  H      -4.701155     -6.956907      6.979389
  H      -0.742812     -5.479732      7.628462
  H      -1.055317     -6.813255      6.492682
  H       0.667397     -5.810498      5.066993
  H       0.834793     -4.346561      6.057823
  H       0.419077     -4.203741      4.332335
  H      -2.626287     -3.271811      6.300110
  H      -1.020655     -3.207031      7.068701
  H      -1.227780     -2.659703      5.383568
  N      -4.588834     -3.563400      5.292376
  H      -4.956269     -2.889830      5.970445
85
Coordinates from ORCA-job orca E -5421.232616741335
  N      -3.944062     -3.412551      2.592045
  C      -3.929912     -4.042599      1.254337
  C      -3.145426     -5.340126      1.279308
  N      -3.621275     -6.151664      2.425719
  C      -4.859635     -6.917591      2.103789
  C      -5.703346     -6.965552      3.368383
  N      -5.890402     -5.600085      3.891062
  Mo     -4.060303     -4.713879      4.098629
  N      -2.122758     -5.178395      4.467117
  C      -1.518073     -6.267634      3.682779
  C      -2.566898     -7.066937      2.932388
  H      -0.977284     -6.976813      4.330302
  H      -0.767114     -5.861601      2.980458
  H      -3.049559     -7.778128      3.617907
  H      -2.118907     -7.644044      2.106087
  H      -6.650838     -7.481720      3.157427
  H      -5.195744     -7.588128      4.126351
  H      -5.404480     -6.378107      1.320091
  H      -4.614215     -7.923889      1.725274
  H      -3.461678     -3.394005      0.503669
  H      -4.966034     -4.221745      0.913880
  H      -2.087158     -5.100267      1.450267
  H      -3.234523     -5.906320      0.338199
  C      -1.676936      0.429463      1.177039
  C      -1.557414     -0.408837      2.218729
  C      -0.783884     -0.029862      3.453845
  C      -2.134657     -1.807273      2.187804
  C      -3.664230     -1.940461      2.520954
  C      -4.551486     -1.276457      1.449322
  C      -3.952961     -1.203534      3.829849
  C      -7.334012     -5.900167      6.840057
  C      -8.266165     -5.392521      6.020404
  C      -9.340802     -4.462229      6.513901
  C      -8.305660     -5.750092      4.550950
  C      -7.245717     -5.032320      3.642251
  C      -7.698414     -5.223530      2.175593
  C      -7.276226     -3.519929      3.912831
  C      -3.228995     -5.341451      8.507671
  C      -2.828475     -5.921602      7.366292
  C      -3.780098     -6.726649      6.535470
  C      -1.427448     -5.791170      6.829037
  C      -1.260239     -4.792171      5.629011
  C       0.227974     -4.789814      5.220349
  C      -1.566965     -3.371853      6.121616
  H      -1.254231      1.436472      1.205710
  H      -2.193864      0.140784      0.258626
  H      -1.368740     -0.202904      4.370803
  H      -0.475037      1.023853      3.428850
  H       0.123851     -0.652238      3.535113
  H      -1.607448     -2.441465      2.918484
  H      -1.961376     -2.240265      1.190624
  H      -4.448836     -0.186963      1.521891
  H      -5.605743     -1.538011      1.623032
  H      -4.288748     -1.566497      0.423523
  H      -5.026906     -1.236640      4.066016
  H      -3.389709     -1.620544      4.671885
  H      -3.667418     -0.151146      3.707599
  H      -6.597632     -6.613770      6.471137
  H      -7.289992     -5.639477      7.900824
  H     -10.320116     -4.970143      6.487853
  H      -9.431803     -3.572348      5.870891
  H      -9.153762     -4.136405      7.546377
  H      -8.170748     -6.837022      4.433785
  H      -9.295854     -5.500128      4.142059
  H      -7.754111     -6.277275      1.868306
  H      -7.021747     -4.691573      1.490797
  H      -8.701776     -4.793847      2.058787
  H      -8.195433     -3.089275      3.493472
  H      -7.248219     -3.296010      4.986965
  H      -6.415620     -3.035530      3.437089
  H      -4.251026     -5.457864      8.878397
  H      -2.543577     -4.751002      9.120372
  H      -3.985931     -6.160400      5.589072
  H      -3.333917     -7.679590      6.210232
  H      -4.726942     -6.923259      7.047008
  H      -0.749636     -5.444351      7.621619
  H      -1.075061     -6.785471      6.501964
  H       0.627125     -5.798123      5.046704
  H       0.814413     -4.330635      6.026881
  H       0.375560     -4.193123      4.307675
  H      -2.632247     -3.230653      6.321634
  H      -1.012426     -3.175195      7.048529
  H      -1.253006     -2.636285      5.365930
  N      -4.553126     -3.575319      5.261839
  H      -4.923448     -2.908244      5.944560
85
Coordinates from ORCA-job orca E -5421.242054655600
  N      -3.946980     -3.412329      2.569565
  C      -3.921183     -4.055173      1.238413
  C      -3.137078     -5.353448      1.271474
  N      -3.627099     -6.166193      2.410239
  C      -4.864040     -6.927618      2.077173
  C      -5.711223     -6.963481      3.337116
  N      -5.884525     -5.593077      3.851035
  Mo     -4.081820     -4.689634      4.089919
  N      -2.154273     -5.178323      4.468760
  C      -1.545054     -6.272667      3.695037
  C      -2.583019     -7.077733      2.939400
  H      -1.009165     -6.972365      4.356365
  H      -0.787551     -5.868309      2.999633
  H      -3.079228     -7.782411      3.622036
  H      -2.126584     -7.661675      2.122234
  H      -6.668305     -7.464935      3.135067
  H      -5.214228     -7.586482      4.101342
  H      -5.398423     -6.387761      1.286267
  H      -4.613771     -7.934398      1.702968
  H      -3.447648     -3.405200      0.492306
  H      -4.954570     -4.232418      0.890265
  H      -2.078628     -5.121515      1.450787
  H      -3.220272     -5.919889      0.329658
  C      -1.656204      0.418702      1.179955
  C      -1.549693     -0.419112      2.221406
  C      -0.788442     -0.044358      3.464001
  C      -2.133212     -1.815186      2.183382
  C      -3.663110     -1.941179      2.508126
  C      -4.541590     -1.281738      1.427763
  C      -3.965117     -1.212756      3.816863
  C      -7.315750     -5.997495      6.803003
  C      -8.238937     -5.438172      6.009645
  C      -9.286805     -4.499448      6.540992
  C      -8.294441     -5.748874      4.530560
  C      -7.241223     -5.010851      3.633111
  C      -7.693152     -5.171546      2.165796
  C      -7.256058     -3.510878      3.951616
  C      -3.220237     -5.302844      8.536316
  C      -2.836486     -5.896842      7.397098
  C      -3.801764     -6.716936      6.598919
  C      -1.445283     -5.765419      6.833397
  C      -1.289878     -4.774618      5.629362
  C       0.193293     -4.774217      5.201782
  C      -1.588426     -3.350629      6.108333
  H      -1.229807      1.423500      1.214297
  H      -2.163667      0.129643      0.257087
  H      -1.383432     -0.212688      4.375196
  H      -0.470804      1.006589      3.443592
  H       0.112634     -0.674175      3.559134
  H      -1.610817     -2.452231      2.914863
  H      -1.953532     -2.248404      1.187993
  H      -4.437741     -0.191775      1.495323
  H      -5.597469     -1.538760      1.596410
  H      -4.272863     -1.574254      0.404809
  H      -5.039259     -1.251501      4.050234
  H      -3.400175     -1.616090      4.664550
  H      -3.687818     -0.158298      3.694240
  H      -6.603544     -6.717161      6.402020
  H      -7.252131     -5.771277      7.870553
  H     -10.280286     -4.977332      6.497770
  H      -9.357233     -3.584012      5.932594
  H      -9.090510     -4.216541      7.584105
  H      -8.179802     -6.832737      4.375700
  H      -9.286486     -5.477550      4.139057
  H      -7.751191     -6.218679      1.838408
  H      -7.018426     -4.626913      1.489466
  H      -8.697090     -4.739592      2.059446
  H      -8.187142     -3.066472      3.575410
  H      -7.195072     -3.322119      5.031211
  H      -6.413270     -3.005639      3.464600
  H      -4.239042     -5.413348      8.917580
  H      -2.526915     -4.702617      9.129527
  H      -4.014268     -6.170717      5.643811
  H      -3.364557     -7.676649      6.281025
  H      -4.745761     -6.895089      7.120019
  H      -0.757021     -5.410442      7.613693
  H      -1.090053     -6.760296      6.512340
  H       0.593256     -5.781831      5.031038
  H       0.789586     -4.309914      5.998372
  H       0.330973     -4.181282      4.285692
  H      -2.646006     -3.202336      6.338249
  H      -1.012189     -3.145911      7.020138
  H      -1.290924     -2.621306      5.340710
  N      -4.535225     -3.547878      5.276796
  H      -4.904440     -2.886597      5.965816
85
Coordinates from ORCA-job orca E -5421.239959911570
  N      -3.938126     -3.353582      2.572960
  C      -3.906405     -4.002244      1.211306
  C      -3.130569     -5.320322      1.245275
  N      -3.634660     -6.149890      2.392895
  C      -4.889259     -6.915164      2.046090
  C      -5.754259     -6.966694      3.312118
  N      -5.924329     -5.576351      3.854688
  Mo     -4.098410     -4.643902      4.122813
  N      -2.152297     -5.178695      4.506701
  C      -1.539791     -6.290037      3.709584
  C      -2.585197     -7.082241      2.925811
  H      -1.016246     -7.003693      4.366103
  H      -0.772973     -5.884248      3.025083
  H      -3.090372     -7.789128      3.599415
  H      -2.127813     -7.661792      2.106008
  H      -6.712324     -7.463084      3.102906
  H      -5.259338     -7.601312      4.068290
  H      -5.416444     -6.365083      1.257699
  H      -4.641630     -7.919607      1.664383
  H      -3.422296     -3.353406      0.470931
  H      -4.938904     -4.169424      0.855325
  H      -2.071708     -5.097060      1.432132
  H      -3.213328     -5.880131      0.299425
  C      -1.610908      0.436848      1.093999
  C      -1.512627     -0.375597      2.156651
  C      -0.750912      0.024622      3.390751
  C      -2.106621     -1.767514      2.152458
  C      -3.638306     -1.873219      2.477153
  C      -4.510227     -1.232890      1.379541
  C      -3.935370     -1.105784      3.765942
  C      -7.286409     -5.999123      6.779627
  C      -8.252394     -5.478411      6.007415
  C      -9.319903     -4.573236      6.556939
  C      -8.327523     -5.806809      4.532197
  C      -7.309110     -5.029819      3.629334
  C      -7.751217     -5.199153      2.159676
  C      -7.389532     -3.530088      3.947869
  C      -3.192959     -5.350890      8.619650
  C      -2.818948     -5.937796      7.473342
  C      -3.797782     -6.752430      6.688895
  C      -1.432316     -5.810337      6.885315
  C      -1.266283     -4.806732      5.683367
  C       0.214954     -4.828911      5.247376
  C      -1.531832     -3.383518      6.188016
  H      -1.177300      1.438591      1.103652
  H      -2.118772      0.128742      0.178129
  H      -1.348886     -0.116002      4.304097
  H      -0.425424      1.071945      3.344260
  H       0.144801     -0.609201      3.503320
  H      -1.590691     -2.389961      2.900400
  H      -1.928648     -2.226477      1.168658
  H      -4.397387     -0.142790      1.419632
  H      -5.567999     -1.476568      1.553352
  H      -4.242882     -1.553323      0.365027
  H      -5.009343     -1.128214      3.998980
  H      -3.375138     -1.490804      4.624269
  H      -3.648251     -0.057848      3.614494
  H      -6.561594     -6.695322      6.360615
  H      -7.194015     -5.764248      7.843968
  H     -10.295589     -5.087165      6.542259
  H      -9.438353     -3.666706      5.943571
  H      -9.108222     -4.274486      7.592179
  H      -8.173724     -6.886101      4.381743
  H      -9.334287     -5.577614      4.152038
  H      -7.770129     -6.245962      1.828168
  H      -7.094468     -4.627555      1.488874
  H      -8.769515     -4.803439      2.051329
  H      -8.338550     -3.127690      3.569643
  H      -7.339314     -3.339754      5.026922
  H      -6.570434     -2.987257      3.462745
  H      -4.211420     -5.467008      9.005422
  H      -2.497501     -4.752731      9.211527
  H      -4.018592     -6.201415      5.735899
  H      -3.365520     -7.711946      6.364552
  H      -4.734640     -6.930728      7.222472
  H      -0.729964     -5.467224      7.658069
  H      -1.095125     -6.808079      6.555100
  H       0.594437     -5.841197      5.060372
  H       0.824542     -4.387597      6.046454
  H       0.358499     -4.226029      4.339211
  H      -2.583202     -3.215909      6.429055
  H      -0.944457     -3.206778      7.098356
  H      -1.224337     -2.648466      5.430597
  N      -4.547641     -3.507479      5.316569
  H      -4.914764     -2.846442      6.011923
85
Coordinates from ORCA-job orca E -5421.246223017671
  N      -3.942545     -3.360586      2.553737
  C      -3.901560     -4.020258      1.205680
  C      -3.121025     -5.332223      1.249492
  N      -3.638585     -6.161566      2.384101
  C      -4.888237     -6.920209      2.027927
  C      -5.750807     -6.960776      3.289904
  N      -5.914037     -5.570111      3.815405
  Mo     -4.116269     -4.632396      4.106407
  N      -2.184818     -5.177749      4.504042
  C      -1.568435     -6.291194      3.724225
  C      -2.603797     -7.088342      2.941626
  H      -1.049173     -6.993768      4.395271
  H      -0.797187     -5.888834      3.043666
  H      -3.122998     -7.785134      3.615268
  H      -2.139143     -7.678235      2.133213
  H      -6.714949     -7.448545      3.090480
  H      -5.260828     -7.590028      4.053286
  H      -5.407989     -6.370397      1.233950
  H      -4.636035     -7.925436      1.651285
  H      -3.415856     -3.370360      0.467511
  H      -4.931533     -4.190354      0.845137
  H      -2.063599     -5.112103      1.447559
  H      -3.194106     -5.892358      0.302894
  C      -1.584216      0.411988      1.095836
  C      -1.497410     -0.403759      2.155672
  C      -0.739893     -0.014216      3.394953
  C      -2.103903     -1.790727      2.143647
  C      -3.634100     -1.884211      2.471399
  C      -4.503108     -1.240066      1.374749
  C      -3.929610     -1.127826      3.764965
  C      -7.262030     -6.122463      6.741617
  C      -8.212086     -5.532478      6.001941
  C      -9.241275     -4.613122      6.597848
  C      -8.310549     -5.801245      4.516227
  C      -7.295352     -5.006171      3.627040
  C      -7.742259     -5.135568      2.157321
  C      -7.346531     -3.519795      3.995991
  C      -3.220346     -5.313287      8.619424
  C      -2.846396     -5.906156      7.476626
  C      -3.824640     -6.736167      6.706740
  C      -1.463577     -5.767626      6.881717
  C      -1.309301     -4.773217      5.676437
  C       0.170489     -4.778459      5.234644
  C      -1.597632     -3.348718      6.157550
  H      -1.142140      1.410015      1.111644
  H      -2.088644      0.108594      0.176486
  H      -1.345088     -0.148423      4.304853
  H      -0.399878      1.028780      3.353351
  H       0.146041     -0.660558      3.515606
  H      -1.590152     -2.421461      2.886370
  H      -1.929747     -2.247025      1.158111
  H      -4.381202     -0.150393      1.411781
  H      -5.562752     -1.473110      1.552393
  H      -4.240924     -1.562805      0.359745
  H      -5.001454     -1.159107      4.007371
  H      -3.356583     -1.502357      4.619976
  H      -3.654368     -0.076492      3.612818
  H      -6.569843     -6.827850      6.284994
  H      -7.148148     -5.934202      7.813292
  H     -10.237677     -5.084862      6.561855
  H      -9.326334     -3.674373      6.028731
  H      -9.016840     -4.371398      7.645332
  H      -8.185983     -6.876600      4.320016
  H      -9.318590     -5.540511      4.158975
  H      -7.771117     -6.173894      1.800845
  H      -7.084848     -4.552409      1.496783
  H      -8.758889     -4.730615      2.063520
  H      -8.309398     -3.099675      3.675989
  H      -7.244836     -3.365290      5.077378
  H      -6.549219     -2.961890      3.490292
  H      -4.239291     -5.430176      9.003929
  H      -2.526975     -4.705243      9.203820
  H      -4.047506     -6.201906      5.747595
  H      -3.391939     -7.698566      6.390363
  H      -4.762713     -6.905294      7.239854
  H      -0.762944     -5.409642      7.649904
  H      -1.111677     -6.763374      6.560992
  H       0.565649     -5.785873      5.055848
  H       0.776757     -4.322075      6.028330
  H       0.303680     -4.179293      4.322509
  H      -2.646284     -3.195571      6.420640
  H      -0.997194     -3.145407      7.053962
  H      -1.318615     -2.618935      5.384180
  N      -4.537837     -3.491906      5.323129
  H      -4.903964     -2.836695      6.023389
85
Coordinates from ORCA-job orca E -5421.252594454997
  N      -3.949886     -3.389905      2.536427
  C      -3.902441     -4.055719      1.211578
  C      -3.114471     -5.353106      1.258287
  N      -3.633496     -6.182027      2.373237
  C      -4.870896     -6.930544      2.014051
  C      -5.730206     -6.961377      3.266687
  N      -5.882065     -5.582329      3.775637
  Mo     -4.129972     -4.638242      4.082070
  N      -2.222690     -5.192960      4.495024
  C      -1.600030     -6.292568      3.730936
  C      -2.616011     -7.093949      2.948317
  H      -1.082752     -6.984609      4.414094
  H      -0.825438     -5.886151      3.057499
  H      -3.145981     -7.785352      3.618994
  H      -2.136893     -7.688952      2.151970
  H      -6.702483     -7.432919      3.071003
  H      -5.249471     -7.588623      4.036550
  H      -5.385420     -6.380932      1.216253
  H      -4.616060     -7.936232      1.640944
  H      -3.421671     -3.401383      0.474270
  H      -4.930616     -4.235415      0.851846
  H      -2.058717     -5.130982      1.461148
  H      -3.181183     -5.908823      0.308214
  C      -1.616948      0.418692      1.138129
  C      -1.532925     -0.403996      2.193533
  C      -0.801811     -0.013103      3.447840
  C      -2.119155     -1.800114      2.161072
  C      -3.649792     -1.915522      2.471366
  C      -4.515513     -1.273357      1.371506
  C      -3.968830     -1.178093      3.765732
  C      -7.275200     -6.159153      6.733761
  C      -8.185031     -5.506352      5.999198
  C      -9.160553     -4.535281      6.601826
  C      -8.290646     -5.755707      4.511033
  C      -7.252950     -4.994058      3.617729
  C      -7.699334     -5.118936      2.150510
  C      -7.253243     -3.513539      3.991653
  C      -3.208083     -5.287255      8.610006
  C      -2.846427     -5.896442      7.471100
  C      -3.825566     -6.747122      6.726265
  C      -1.475812     -5.755744      6.861540
  C      -1.345895     -4.769465      5.657568
  C       0.128210     -4.765490      5.197181
  C      -1.632071     -3.347545      6.134393
  H      -1.190727      1.423826      1.168445
  H      -2.103360      0.112849      0.209190
  H      -1.420292     -0.160444      4.347373
  H      -0.472855      1.034150      3.419700
  H       0.089108     -0.650715      3.581643
  H      -1.602856     -2.430658      2.903013
  H      -1.926716     -2.244307      1.173523
  H      -4.403195     -0.182075      1.412081
  H      -5.574898     -1.515088      1.541238
  H      -4.242546     -1.589618      0.357010
  H      -5.041323     -1.230718      4.000951
  H      -3.392844     -1.542499      4.622682
  H      -3.713578     -0.119273      3.621511
  H      -6.629075     -6.903658      6.269956
  H      -7.146080     -5.983631      7.806078
  H     -10.183982     -4.944573      6.551494
  H      -9.186579     -3.583845      6.047699
  H      -8.930266     -4.323023      7.654691
  H      -8.215679     -6.833599      4.306031
  H      -9.288885     -5.451861      4.157099
  H      -7.752630     -6.160236      1.803866
  H      -7.024423     -4.557956      1.487804
  H      -8.706460     -4.690043      2.050142
  H      -8.217308     -3.070353      3.704869
  H      -7.111927     -3.368990      5.069205
  H      -6.461751     -2.969956      3.460011
  H      -4.221364     -5.405792      9.006059
  H      -2.511607     -4.663187      9.174624
  H      -4.061766     -6.236977      5.763420
  H      -3.391918     -7.715080      6.425855
  H      -4.757278     -6.905780      7.272075
  H      -0.769060     -5.389361      7.621422
  H      -1.116106     -6.749840      6.543888
  H       0.529691     -5.770345      5.016514
  H       0.742143     -4.303225      5.982296
  H       0.245664     -4.165548      4.283066
  H      -2.670692     -3.198844      6.436246
  H      -1.003145     -3.137080      7.010620
  H      -1.381282     -2.618291      5.350663
  N      -4.515056     -3.501027      5.321501
  H      -4.877371     -2.854762      6.027826
85
Coordinates from ORCA-job orca E -5421.255466848413
  N      -3.946727     -3.388314      2.522884
  C      -3.897193     -4.060529      1.211818
  C      -3.108270     -5.353555      1.267523
  N      -3.634504     -6.179858      2.372519
  C      -4.866749     -6.921240      2.010834
  C      -5.727195     -6.941466      3.257834
  N      -5.869910     -5.564495      3.748141
  Mo     -4.138281     -4.619845      4.066790
  N      -2.250496     -5.190414      4.500802
  C      -1.622750     -6.281709      3.743566
  C      -2.630915     -7.085888      2.963276
  H      -1.104904     -6.969418      4.430548
  H      -0.847564     -5.873663      3.071715
  H      -3.169016     -7.769134      3.635822
  H      -2.143685     -7.690512      2.178083
  H      -6.704801     -7.403236      3.063797
  H      -5.253923     -7.566013      4.034755
  H      -5.377709     -6.374946      1.208787
  H      -4.612931     -7.929531      1.643830
  H      -3.417062     -3.409172      0.471239
  H      -4.924364     -4.245268      0.851735
  H      -2.053732     -5.131854      1.476073
  H      -3.168385     -5.906679      0.314858
  C      -1.579775      0.398429      1.123768
  C      -1.508820     -0.423124      2.181857
  C      -0.779598     -0.037101      3.438756
  C      -2.108048     -1.813998      2.149208
  C      -3.638484     -1.918343      2.460448
  C      -4.498670     -1.268457      1.360042
  C      -3.955929     -1.182990      3.756212
  C      -7.302378     -6.258408      6.728009
  C      -8.183709     -5.561292      5.996583
  C      -9.149890     -4.592285      6.615111
  C      -8.279359     -5.764081      4.500790
  C      -7.245972     -4.977315      3.625192
  C      -7.700301     -5.078142      2.158548
  C      -7.250342     -3.503606      4.023271
  C      -3.182160     -5.258962      8.616847
  C      -2.847357     -5.877952      7.472892
  C      -3.843118     -6.731702      6.743372
  C      -1.483210     -5.742498      6.848638
  C      -1.370831     -4.749629      5.651886
  C       0.102539     -4.727736      5.182152
  C      -1.665949     -3.331432      6.133682
  H      -1.143970      1.399358      1.153596
  H      -2.064246      0.094735      0.193419
  H      -1.405266     -0.171316      4.335859
  H      -0.434919      1.005273      3.407556
  H       0.100858     -0.687769      3.580805
  H      -1.595903     -2.449851      2.889555
  H      -1.920084     -2.258982      1.160831
  H      -4.372395     -0.178415      1.394686
  H      -5.560457     -1.495466      1.534086
  H      -4.232087     -1.592689      0.346213
  H      -5.025756     -1.243913      3.999006
  H      -3.370074     -1.541476      4.608637
  H      -3.710709     -0.121984      3.609503
  H      -6.661223     -7.002316      6.258195
  H      -7.197791     -6.122370      7.806290
  H     -10.182290     -4.981481      6.528511
  H      -9.145829     -3.616881      6.096783
  H      -8.934553     -4.424508      7.681082
  H      -8.207923     -6.837088      4.262482
  H      -9.277223     -5.450470      4.153864
  H      -7.753319     -6.113973      1.796965
  H      -7.028120     -4.506310      1.503470
  H      -8.708957     -4.649879      2.067413
  H      -8.236247     -3.069504      3.784436
  H      -7.065659     -3.375939      5.097247
  H      -6.487669     -2.939968      3.464494
  H      -4.184469     -5.371814      9.038089
  H      -2.469228     -4.635444      9.163004
  H      -4.084977     -6.237652      5.774897
  H      -3.421979     -7.710399      6.458656
  H      -4.774459     -6.870781      7.300238
  H      -0.767341     -5.382219      7.603822
  H      -1.126075     -6.734849      6.522599
  H       0.515620     -5.726717      4.994092
  H       0.716171     -4.263632      5.966657
  H       0.207649     -4.120016      4.271353
  H      -2.698215     -3.200640      6.479082
  H      -1.004437     -3.108427      6.987616
  H      -1.457562     -2.599240      5.337600
  N      -4.524527     -3.495604      5.317767
  H      -4.888631     -2.854134      6.026407
85
Coordinates from ORCA-job orca E -5421.257504221733
  N      -3.932493     -3.391757      2.513741
  C      -3.883938     -4.066912      1.212709
  C      -3.097144     -5.359640      1.274175
  N      -3.630766     -6.185487      2.370323
  C      -4.861542     -6.917671      2.008633
  C      -5.727218     -6.927100      3.250263
  N      -5.853493     -5.550178      3.722586
  Mo     -4.133549     -4.612025      4.048767
  N      -2.271945     -5.208468      4.510289
  C      -1.637440     -6.287222      3.753223
  C      -2.641874     -7.089860      2.972599
  H      -1.117978     -6.976459      4.437408
  H      -0.862007     -5.876143      3.082834
  H      -3.187166     -7.765538      3.647096
  H      -2.147253     -7.704714      2.199425
  H      -6.709821     -7.374590      3.049523
  H      -5.267572     -7.554537      4.033526
  H      -5.370684     -6.373877      1.203851
  H      -4.614800     -7.929661      1.645949
  H      -3.406304     -3.420215      0.465765
  H      -4.910970     -4.258036      0.853485
  H      -2.043173     -5.138771      1.486540
  H      -3.151889     -5.905707      0.316232
  C      -1.589420      0.409194      1.126198
  C      -1.512995     -0.414618      2.180187
  C      -0.787482     -0.027712      3.439176
  C      -2.103239     -1.806955      2.141455
  C      -3.630876     -1.923233      2.453115
  C      -4.494724     -1.271961      1.355098
  C      -3.953657     -1.193754      3.751095
  C      -7.308438     -6.249155      6.729446
  C      -8.172947     -5.550254      5.991400
  C      -9.136980     -4.577468      6.600156
  C      -8.261726     -5.753149      4.502953
  C      -7.235241     -4.968940      3.627091
  C      -7.699181     -5.071770      2.162135
  C      -7.244869     -3.497392      4.012833
  C      -3.134877     -5.275534      8.630141
  C      -2.834387     -5.896929      7.478066
  C      -3.845498     -6.748899      6.763614
  C      -1.479339     -5.761185      6.836376
  C      -1.388589     -4.754981      5.649095
  C       0.084142     -4.700042      5.175054
  C      -1.707146     -3.347334      6.143426
  H      -1.160967      1.411475      1.160173
  H      -2.072638      0.106048      0.195330
  H      -1.413467     -0.163889      4.332721
  H      -0.445823      1.013488      3.409895
  H       0.092594     -0.674702      3.582009
  H      -1.585327     -2.442785      2.876839
  H      -1.916700     -2.244618      1.150215
  H      -4.364343     -0.183535      1.385643
  H      -5.555665     -1.495316      1.534542
  H      -4.234532     -1.600724      0.341695
  H      -5.019616     -1.276026      3.999850
  H      -3.354416     -1.545198      4.597141
  H      -3.729841     -0.128908      3.605318
  H      -6.658465     -6.991837      6.274812
  H      -7.231414     -6.116875      7.804557
  H     -10.167188     -4.957824      6.511153
  H      -9.124457     -3.612053      6.084831
  H      -8.929219     -4.409800      7.658818
  H      -8.187235     -6.820956      4.266908
  H      -9.259691     -5.444168      4.156622
  H      -7.755004     -6.106612      1.805176
  H      -7.026220     -4.504701      1.507334
  H      -8.706205     -4.643374      2.069076
  H      -8.238716     -3.085647      3.798865
  H      -7.031039     -3.356480      5.073169
  H      -6.508650     -2.933586      3.429800
  H      -4.120755     -5.383713      9.085460
  H      -2.402369     -4.658562      9.155298
  H      -4.097825     -6.271052      5.792447
  H      -3.434999     -7.737287      6.500190
  H      -4.770652     -6.871961      7.336141
  H      -0.754362     -5.411960      7.587069
  H      -1.124940     -6.749096      6.496153
  H       0.516376     -5.687777      4.974954
  H       0.689626     -4.234770      5.963170
  H       0.174762     -4.078760      4.271729
  H      -2.727738     -3.250146      6.521794
  H      -1.027363     -3.111954      6.974492
  H      -1.543779     -2.607619      5.345622
  N      -4.526689     -3.508370      5.316958
  H      -4.893264     -2.873846      6.030339
85
Coordinates from ORCA-job orca E -5421.258464910522
  N      -3.906387     -3.379892      2.495031
  C      -3.845681     -4.064488      1.202134
  C      -3.068606     -5.362055      1.285782
  N      -3.627755     -6.177076      2.375905
  C      -4.862082     -6.892652      1.999591
  C      -5.748572     -6.887943      3.226810
  N      -5.855614     -5.510285      3.694084
  Mo     -4.131836     -4.586494      4.028120
  N      -2.300473     -5.212814      4.536244
  C      -1.659388     -6.293102      3.791672
  C      -2.662393     -7.088668      3.001140
  H      -1.151851     -6.987336      4.482012
  H      -0.871309     -5.892506      3.128012
  H      -3.225347     -7.750467      3.676507
  H      -2.158398     -7.720296      2.246846
  H      -6.733161     -7.320158      3.007419
  H      -5.310373     -7.525006      4.015372
  H      -5.357733     -6.347210      1.186604
  H      -4.627961     -7.910129      1.643058
  H      -3.357152     -3.430781      0.449832
  H      -4.869293     -4.259771      0.831239
  H      -2.015840     -5.145370      1.512142
  H      -3.110470     -5.906897      0.325696
  C      -1.541201      0.390096      1.046150
  C      -1.481317     -0.409322      2.124089
  C      -0.772650      0.008341      3.384410
  C      -2.071911     -1.802525      2.112499
  C      -3.603237     -1.913904      2.413188
  C      -4.454808     -1.275524      1.294557
  C      -3.940891     -1.160305      3.697637
  C      -7.273673     -6.444508      6.689780
  C      -8.135513     -5.664275      6.005359
  C      -9.075259     -4.712483      6.711592
  C      -8.254585     -5.758482      4.492436
  C      -7.242497     -4.929755      3.638980
  C      -7.722214     -4.962944      2.165687
  C      -7.262041     -3.465841      4.086142
  C      -3.166308     -5.249569      8.636586
  C      -2.879039     -5.883068      7.489886
  C      -3.890926     -6.732913      6.774797
  C      -1.520291     -5.761095      6.858201
  C      -1.421229     -4.753821      5.670530
  C       0.055347     -4.691494      5.210462
  C      -1.747135     -3.347844      6.165284
  H      -1.111716      1.393314      1.058997
  H      -2.011561      0.065630      0.114660
  H      -1.414925     -0.097498      4.273369
  H      -0.424293      1.047520      3.327712
  H       0.102438     -0.642699      3.556928
  H      -1.561318     -2.424225      2.866235
  H      -1.878012     -2.260837      1.129639
  H      -4.316597     -0.187013      1.303566
  H      -5.518247     -1.488680      1.471240
  H      -4.189344     -1.629409      0.289496
  H      -5.007286     -1.247967      3.939884
  H      -3.345519     -1.501092      4.552799
  H      -3.724572     -0.095568      3.537267
  H      -6.631044     -7.172456      6.174074
  H      -7.195405     -6.396331      7.786316
  H     -10.110857     -5.068652      6.594120
  H      -9.050017     -3.692918      6.277244
  H      -8.852869     -4.641771      7.794220
  H      -8.186277     -6.818265      4.181143
  H      -9.256841     -5.416488      4.183920
  H      -7.778181     -5.984063      1.758994
  H      -7.052351     -4.362607      1.531754
  H      -8.729428     -4.530897      2.099530
  H      -8.264637     -3.055558      3.916645
  H      -7.021636     -3.361605      5.151198
  H      -6.551601     -2.876412      3.496251
  H      -4.145392     -5.340861      9.105792
  H      -2.423347     -4.639629      9.151324
  H      -4.134775     -6.273668      5.795198
  H      -3.486715     -7.731589      6.548465
  H      -4.818765     -6.838439      7.347111
  H      -0.798254     -5.421701      7.613711
  H      -1.172340     -6.750558      6.519078
  H       0.491961     -5.676403      5.011629
  H       0.649791     -4.226588      6.005001
  H       0.151696     -4.067894      4.310530
  H      -2.758415     -3.268293      6.556619
  H      -1.061363     -3.103261      6.981005
  H      -1.603440     -2.610604      5.366408
  N      -4.551046     -3.484986      5.288435
  H      -4.925149     -2.848458      5.994349
85
Coordinates from ORCA-job orca E -5421.260407455475
  N      -3.899034     -3.376601      2.495449
  C      -3.838697     -4.065707      1.200857
  C      -3.058922     -5.364853      1.287123
  N      -3.620100     -6.181790      2.377703
  C      -4.854999     -6.897612      1.999918
  C      -5.745688     -6.893190      3.225914
  N      -5.848066     -5.512183      3.695904
  Mo     -4.118927     -4.584677      4.023363
  N      -2.298668     -5.223646      4.544961
  C      -1.650877     -6.294833      3.789043
  C      -2.655808     -7.094866      3.003330
  H      -1.130690     -6.989032      4.469077
  H      -0.872371     -5.885468      3.121114
  H      -3.216511     -7.752525      3.683197
  H      -2.153438     -7.731229      2.252918
  H      -6.728239     -7.320618      2.993809
  H      -5.316458     -7.536945      4.013382
  H      -5.351479     -6.352413      1.187470
  H      -4.622719     -7.915376      1.642262
  H      -3.354399     -3.436148      0.442944
  H      -4.861936     -4.267224      0.832667
  H      -2.007564     -5.145534      1.516002
  H      -3.095802     -5.907663      0.326007
  C      -1.550947      0.410556      1.046211
  C      -1.495309     -0.388694      2.123587
  C      -0.797109      0.032332      3.388215
  C      -2.078145     -1.784721      2.107836
  C      -3.608607     -1.909023      2.410318
  C      -4.468819     -1.276971      1.296377
  C      -3.949210     -1.163155      3.697903
  C      -7.354362     -6.389437      6.725362
  C      -8.180676     -5.628059      5.995927
  C      -9.126230     -4.653388      6.640927
  C      -8.256483     -5.762273      4.492640
  C      -7.238172     -4.939018      3.645313
  C      -7.709526     -4.974913      2.168350
  C      -7.267806     -3.473521      4.089695
  C      -3.104545     -5.296851      8.662234
  C      -2.836175     -5.915325      7.504315
  C      -3.855275     -6.763258      6.801100
  C      -1.485234     -5.780862      6.850956
  C      -1.407861     -4.763121      5.668044
  C       0.060573     -4.693305      5.180833
  C      -1.734535     -3.364002      6.185510
  H      -1.125355      1.415762      1.061841
  H      -2.012405      0.085051      0.111542
  H      -1.449597     -0.067842      4.271159
  H      -0.445683      1.071412      3.328918
  H       0.076196     -0.620255      3.571351
  H      -1.562679     -2.404876      2.858511
  H      -1.883322     -2.238472      1.124096
  H      -4.328663     -0.189017      1.299407
  H      -5.531435     -1.490076      1.482753
  H      -4.212105     -1.637035      0.291527
  H      -5.013257     -1.269141      3.944731
  H      -3.346085     -1.500794      4.547205
  H      -3.748104     -0.096280      3.540843
  H      -6.703761     -7.129735      6.260831
  H      -7.312584     -6.304430      7.813786
  H     -10.167060     -4.992726      6.488829
  H      -9.058465     -3.646266      6.192774
  H      -8.944020     -4.569121      7.725449
  H      -8.173585     -6.822901      4.212994
  H      -9.252212     -5.440258      4.155513
  H      -7.764322     -5.995973      1.762179
  H      -7.032623     -4.376996      1.540015
  H      -8.715178     -4.541743      2.094574
  H      -8.286876     -3.078528      3.948303
  H      -7.001701     -3.365011      5.152328
  H      -6.581275     -2.871233      3.475424
  H      -4.074735     -5.392494      9.152136
  H      -2.352582     -4.691219      9.168248
  H      -4.118049     -6.312222      5.822749
  H      -3.449633     -7.763161      6.581719
  H      -4.770546     -6.871547      7.389378
  H      -0.749822     -5.449299      7.598251
  H      -1.142082     -6.766156      6.495514
  H       0.494005     -5.676232      4.960748
  H       0.669549     -4.237252      5.971944
  H       0.139408     -4.059709      4.285291
  H      -2.730334     -3.308183      6.637709
  H      -1.003658     -3.107199      6.966273
  H      -1.649122     -2.622855      5.378396
  N      -4.545258     -3.496058      5.294920
  H      -4.921843     -2.864904      6.005130
85
Coordinates from ORCA-job orca E -5421.261847208067
  N      -3.877969     -3.378285      2.478370
  C      -3.816503     -4.079955      1.184265
  C      -3.045056     -5.386999      1.282226
  N      -3.620693     -6.199591      2.373601
  C      -4.859880     -6.907651      1.990599
  C      -5.758166     -6.893322      3.212585
  N      -5.846738     -5.505742      3.682814
  Mo     -4.109443     -4.581819      4.006104
  N      -2.310652     -5.253376      4.556978
  C      -1.659159     -6.321793      3.792021
  C      -2.667232     -7.120988      3.008539
  H      -1.132602     -7.016360      4.465478
  H      -0.887114     -5.907484      3.121780
  H      -3.236727     -7.766522      3.692416
  H      -2.169876     -7.768564      2.265224
  H      -6.743494     -7.305275      2.962734
  H      -5.349622     -7.546458      4.002841
  H      -5.348444     -6.359554      1.175047
  H      -4.633384     -7.927124      1.634931
  H      -3.328042     -3.460077      0.421975
  H      -4.839698     -4.278950      0.816759
  H      -1.994849     -5.173408      1.520196
  H      -3.075547     -5.932172      0.323058
  C      -1.593087      0.464041      1.076752
  C      -1.525340     -0.348019      2.138108
  C      -0.845816      0.069379      3.413343
  C      -2.080147     -1.752419      2.096803
  C      -3.608032     -1.906592      2.392201
  C      -4.477022     -1.286837      1.281392
  C      -3.963249     -1.175471      3.682309
  C      -7.314136     -6.335300      6.714137
  C      -8.142679     -5.569207      5.993445
  C      -9.054677     -4.562373      6.637994
  C      -8.249983     -5.731008      4.500412
  C      -7.235013     -4.936389      3.631946
  C      -7.703541     -5.013452      2.162824
  C      -7.259347     -3.468021      4.028328
  C      -3.076041     -5.355007      8.699141
  C      -2.822096     -5.956069      7.528885
  C      -3.848665     -6.802278      6.836961
  C      -1.478378     -5.809283      6.855886
  C      -1.419657     -4.783546      5.678349
  C       0.042382     -4.685085      5.183287
  C      -1.775998     -3.397540      6.211555
  H      -1.189547      1.476065      1.112281
  H      -2.044004      0.144364      0.136294
  H      -1.502014     -0.054626      4.284949
  H      -0.514288      1.112716      3.372299
  H       0.036394     -0.564075      3.597110
  H      -1.554525     -2.372227      2.839323
  H      -1.876015     -2.187297      1.109275
  H      -4.339991     -0.199361      1.278658
  H      -5.537764     -1.503957      1.474453
  H      -4.225247     -1.651150      0.278235
  H      -5.024258     -1.310975      3.929663
  H      -3.351674     -1.502473      4.529180
  H      -3.788269     -0.104066      3.530137
  H      -6.687330     -7.096165      6.249499
  H      -7.242110     -6.226426      7.796734
  H     -10.108359     -4.869269      6.508284
  H      -8.969785     -3.569633      6.179278
  H      -8.851464     -4.468786      7.709869
  H      -8.183008     -6.793972      4.243362
  H      -9.249421     -5.404372      4.172214
  H      -7.769014     -6.040592      1.791199
  H      -7.017472     -4.447492      1.524089
  H      -8.704186     -4.572819      2.071240
  H      -8.280965     -3.093034      3.888902
  H      -6.981606     -3.322333      5.073693
  H      -6.587662     -2.878425      3.395047
  H      -4.040468     -5.456064      9.203533
  H      -2.316568     -4.753559      9.201736
  H      -4.122904     -6.363400      5.857141
  H      -3.445005     -7.807206      6.627320
  H      -4.756906     -6.906989      7.437666
  H      -0.731459     -5.481597      7.595193
  H      -1.138463     -6.791623      6.487142
  H       0.488775     -5.659033      4.948296
  H       0.649253     -4.230010      5.976946
  H       0.106921     -4.039837      4.294091
  H      -2.752214     -3.382860      6.712177
  H      -1.017444     -3.113494      6.959179
  H      -1.757412     -2.651874      5.401337
  N      -4.519100     -3.492830      5.283808
  H      -4.888710     -2.859417      5.995928
85
Coordinates from ORCA-job orca E -5421.263139007457
  N      -3.855058     -3.357775      2.466076
  C      -3.788633     -4.069814      1.172246
  C      -3.026333     -5.383054      1.282933
  N      -3.618697     -6.191519      2.372920
  C      -4.859875     -6.891288      1.976245
  C      -5.768895     -6.875494      3.190866
  N      -5.849129     -5.486619      3.674580
  Mo     -4.101672     -4.559890      3.993327
  N      -2.328115     -5.265833      4.583273
  C      -1.668937     -6.326886      3.805902
  C      -2.676858     -7.122302      3.015776
  H      -1.137174     -7.024128      4.471648
  H      -0.901088     -5.902111      3.137781
  H      -3.257377     -7.758623      3.698993
  H      -2.181873     -7.776683      2.277640
  H      -6.753446     -7.274929      2.920032
  H      -5.378705     -7.540237      3.979647
  H      -5.337937     -6.337024      1.158742
  H      -4.636454     -7.910548      1.618607
  H      -3.290101     -3.457818      0.409705
  H      -4.810906     -4.263269      0.800732
  H      -1.978750     -5.173329      1.533883
  H      -3.047423     -5.930566      0.325428
  C      -1.560311      0.458211      0.982963
  C      -1.507720     -0.324917      2.070731
  C      -0.845809      0.131372      3.342928
  C      -2.059769     -1.734771      2.061900
  C      -3.589057     -1.885425      2.362104
  C      -4.455793     -1.283512      1.242238
  C      -3.946823     -1.138603      3.644506
  C      -7.308108     -6.349206      6.708315
  C      -8.150593     -5.599990      5.998014
  C      -9.087273     -4.626697      6.656662
  C      -8.245898     -5.750270      4.502182
  C      -7.239668     -4.920332      3.647245
  C      -7.712306     -4.950584      2.174741
  C      -7.267356     -3.457948      4.088429
  C      -3.056591     -5.431808      8.751224
  C      -2.815324     -6.004812      7.564439
  C      -3.844306     -6.849423      6.878038
  C      -1.480867     -5.837829      6.875665
  C      -1.439930     -4.796364      5.709890
  C       0.016642     -4.668811      5.214494
  C      -1.825612     -3.427101      6.266342
  H      -1.157251      1.474040      0.992978
  H      -1.997319      0.110590      0.044416
  H      -1.519980      0.044358      4.210047
  H      -0.503836      1.173190      3.269011
  H       0.028861     -0.505145      3.562483
  H      -1.533724     -2.338027      2.819115
  H      -1.853984     -2.193404      1.082520
  H      -4.302798     -0.196885      1.211672
  H      -5.518652     -1.482472      1.448099
  H      -4.214753     -1.678075      0.246593
  H      -5.006800     -1.280648      3.896286
  H      -3.336159     -1.453633      4.496669
  H      -3.778225     -0.066529      3.478500
  H      -6.663695     -7.087630      6.236443
  H      -7.239235     -6.244885      7.790719
  H     -10.128987     -4.949700      6.521005
  H      -9.016880     -3.628673      6.215915
  H      -8.896340     -4.546820      7.727691
  H      -8.153384     -6.810451      4.237821
  H      -9.250662     -5.442911      4.173806
  H      -7.782360     -5.967888      1.768533
  H      -7.023542     -4.365046      1.551029
  H      -8.712825     -4.501233      2.102249
  H      -8.294674     -3.085141      3.984506
  H      -6.969254     -3.336924      5.134676
  H      -6.618164     -2.841820      3.455010
  H      -4.012929     -5.546656      9.268894
  H      -2.292401     -4.836873      9.255428
  H      -4.130702     -6.420199      5.900186
  H      -3.437428     -7.855592      6.674746
  H      -4.744199     -6.958906      7.490437
  H      -0.726129     -5.516800      7.609614
  H      -1.142154     -6.813962      6.488893
  H       0.473589     -5.632435      4.958369
  H       0.619851     -4.222870      6.015318
  H       0.071362     -4.006353      4.337329
  H      -2.780391     -3.452691      6.795512
  H      -1.056341     -3.123404      6.988535
  H      -1.860541     -2.674825      5.466872
  N      -4.509968     -3.472814      5.270935
  H      -4.877789     -2.837410      5.982465
85
Coordinates from ORCA-job orca E -5421.264231027142
  N      -3.827522     -3.349845      2.446847
  C      -3.753026     -4.076590      1.158412
  C      -3.002126     -5.393120      1.288682
  N      -3.613134     -6.190670      2.378800
  C      -4.855860     -6.881813      1.970432
  C      -5.775282     -6.859242      3.175887
  N      -5.848128     -5.470384      3.666601
  Mo     -4.094996     -4.541083      3.982531
  N      -2.346581     -5.279589      4.613365
  C      -1.680967     -6.337141      3.832887
  C      -2.684587     -7.128182      3.034703
  H      -1.149120     -7.033858      4.499831
  H      -0.912257     -5.904363      3.170136
  H      -3.279276     -7.754390      3.715639
  H      -2.189940     -7.789322      2.302336
  H      -6.760804     -7.245581      2.889688
  H      -5.403544     -7.530712      3.967602
  H      -5.320772     -6.323202      1.148126
  H      -4.634171     -7.902270      1.615469
  H      -3.240319     -3.473487      0.397811
  H      -4.774187     -4.262198      0.780617
  H      -1.956940     -5.187338      1.552558
  H      -3.014605     -5.949870      0.336496
  C      -1.594637      0.484772      0.929532
  C      -1.528757     -0.285588      2.024037
  C      -0.882094      0.198013      3.294114
  C      -2.054354     -1.705012      2.025493
  C      -3.581791     -1.874650      2.322620
  C      -4.452290     -1.304305      1.189120
  C      -3.957574     -1.114631      3.592448
  C      -7.314286     -6.425006      6.683543
  C      -8.134069     -5.619433      5.993307
  C      -9.027797     -4.626877      6.684213
  C      -8.246091     -5.730700      4.488812
  C      -7.234051     -4.895024      3.646788
  C      -7.709127     -4.889555      2.173402
  C      -7.247827     -3.441007      4.117432
  C      -3.047063     -5.499445      8.804570
  C      -2.816392     -6.050905      7.604325
  C      -3.849083     -6.898216      6.923930
  C      -1.491648     -5.869863      6.902671
  C      -1.459496     -4.815834      5.747409
  C      -0.006115     -4.686867      5.245802
  C      -1.843462     -3.451134      6.320373
  H      -1.214160      1.508379      0.931987
  H      -2.023102      0.118465     -0.006490
  H      -1.556224      0.107095      4.157224
  H      -0.561734      1.243726      3.212444
  H       0.002004     -0.415246      3.525252
  H      -1.519718     -2.292739      2.789526
  H      -1.839387     -2.168875      1.050697
  H      -4.302985     -0.218503      1.132895
  H      -5.513376     -1.501569      1.399604
  H      -4.210728     -1.721282      0.203180
  H      -5.015113     -1.274206      3.842653
  H      -3.345261     -1.405522      4.455160
  H      -3.809334     -0.040970      3.411216
  H      -6.706472     -7.182024      6.189155
  H      -7.229801     -6.349660      7.771236
  H     -10.087811     -4.891819      6.515185
  H      -8.898787     -3.604225      6.291511
  H      -8.843914     -4.609796      7.768663
  H      -8.171792     -6.789499      4.199169
  H      -9.248334     -5.400712      4.172256
  H      -7.801077     -5.897953      1.747214
  H      -7.009314     -4.306292      1.558801
  H      -8.699941     -4.418205      2.111564
  H      -8.269678     -3.060976      4.029874
  H      -6.940991     -3.337998      5.162535
  H      -6.604613     -2.814971      3.494536
  H      -3.997502     -5.626920      9.328933
  H      -2.280180     -4.908424      9.311434
  H      -4.142362     -6.478112      5.947023
  H      -3.441183     -7.904941      6.722806
  H      -4.745256     -7.009755      7.542421
  H      -0.730264     -5.554395      7.631759
  H      -1.156315     -6.841852      6.502558
  H       0.443784     -5.649151      4.970444
  H       0.606326     -4.256259      6.049343
  H       0.047039     -4.012412      4.377921
  H      -2.785164     -3.484447      6.867611
  H      -1.063687     -3.144162      7.025549
  H      -1.899075     -2.694829      5.532296
  N      -4.500031     -3.444238      5.249363
  H      -4.865038     -2.801324      5.955452
85
Coordinates from ORCA-job orca E -5421.265103997075
  N      -3.811016     -3.330518      2.409478
  C      -3.725723     -4.068675      1.127648
  C      -2.990178     -5.387661      1.280665
  N      -3.617971     -6.169832      2.372424
  C      -4.859592     -6.855894      1.954742
  C      -5.786676     -6.832109      3.152364
  N      -5.861009     -5.447743      3.649379
  Mo     -4.107980     -4.505050      3.958473
  N      -2.384813     -5.268547      4.634910
  C      -1.707073     -6.318027      3.853072
  C      -2.698786     -7.108223      3.041838
  H      -1.175089     -7.011497      4.523639
  H      -0.937292     -5.871680      3.199662
  H      -3.305681     -7.730036      3.716137
  H      -2.198677     -7.770031      2.313168
  H      -6.773400     -7.210005      2.857175
  H      -5.426458     -7.506081      3.947230
  H      -5.313747     -6.293450      1.129297
  H      -4.635458     -7.876457      1.601581
  H      -3.190449     -3.474219      0.375362
  H      -4.744624     -4.239257      0.736847
  H      -1.947094     -5.185938      1.556569
  H      -2.995295     -5.958063      0.336222
  C      -1.532060      0.479256      0.874083
  C      -1.492888     -0.282441      1.977817
  C      -0.866471      0.207184      3.254551
  C      -2.028178     -1.699064      1.982057
  C      -3.560195     -1.856306      2.273955
  C      -4.424912     -1.285275      1.138482
  C      -3.933993     -1.093733      3.539888
  C      -7.224905     -6.469720      6.656446
  C      -8.078027     -5.657283      6.011802
  C      -8.960065     -4.688364      6.755627
  C      -8.235364     -5.742377      4.505876
  C      -7.251958     -4.883338      3.647811
  C      -7.757138     -4.879236      2.188009
  C      -7.287969     -3.436831      4.130577
  C      -3.059209     -5.561576      8.850020
  C      -2.835673     -6.090043      7.636808
  C      -3.867729     -6.947117      6.961932
  C      -1.524976     -5.883931      6.922272
  C      -1.508669     -4.811041      5.784428
  C      -0.056144     -4.655428      5.290233
  C      -1.910151     -3.460780      6.376714
  H      -1.145734      1.500631      0.873912
  H      -1.943265      0.106638     -0.065996
  H      -1.562542      0.138310      4.105029
  H      -0.528519      1.248420      3.165187
  H       0.006003     -0.417321      3.515631
  H      -1.500776     -2.288119      2.750182
  H      -1.809861     -2.167279      1.011165
  H      -4.257840     -0.204392      1.069714
  H      -5.488814     -1.460113      1.353777
  H      -4.192870     -1.715671      0.157851
  H      -4.992642     -1.246409      3.789647
  H      -3.328270     -1.385651      4.402674
  H      -3.779173     -0.023538      3.359074
  H      -6.628544     -7.213003      6.120063
  H      -7.102889     -6.420984      7.744524
  H     -10.019669     -4.949376      6.606163
  H      -8.844870     -3.653821      6.391145
  H      -8.753039     -4.702839      7.836604
  H      -8.154536     -6.795996      4.196602
  H      -9.251310     -5.418368      4.223366
  H      -7.852938     -5.887919      1.764607
  H      -7.072615     -4.293250      1.557511
  H      -8.752270     -4.410844      2.148284
  H      -8.330149     -3.078494      4.086977
  H      -6.945638     -3.339882      5.167447
  H      -6.679229     -2.781178      3.486527
  H      -4.002244     -5.714183      9.378147
  H      -2.296709     -4.966735      9.360034
  H      -4.168042     -6.532374      5.986844
  H      -3.455041     -7.950374      6.755917
  H      -4.761351     -7.065746      7.584168
  H      -0.760359     -5.569277      7.647264
  H      -1.184772     -6.846927      6.505866
  H       0.404950     -5.606418      4.997683
  H       0.551358     -4.234175      6.101210
  H      -0.007547     -3.964221      4.435477
  H      -2.849805     -3.509541      6.924715
  H      -1.132994     -3.154079      7.082697
  H      -1.976523     -2.690722      5.604321
  N      -4.511047     -3.387616      5.203320
  H      -4.873823     -2.732843      5.898761
85
Coordinates from ORCA-job orca E -5421.266112307847
  N      -3.796224     -3.318124      2.391551
  C      -3.713007     -4.060200      1.114007
  C      -2.990971     -5.381096      1.278829
  N      -3.623351     -6.147894      2.376473
  C      -4.866701     -6.829254      1.960733
  C      -5.792507     -6.806522      3.157474
  N      -5.864920     -5.427547      3.660934
  Mo     -4.115239     -4.475178      3.954605
  N      -2.412091     -5.259752      4.658571
  C      -1.724472     -6.295050      3.868076
  C      -2.706252     -7.085369      3.048177
  H      -1.187410     -6.986688      4.534772
  H      -0.959879     -5.831190      3.221516
  H      -3.315826     -7.711226      3.715368
  H      -2.201754     -7.740877      2.317067
  H      -6.783001     -7.176404      2.862309
  H      -5.436302     -7.484135      3.951494
  H      -5.318563     -6.261568      1.138117
  H      -4.644089     -7.849404      1.605213
  H      -3.163752     -3.471186      0.367514
  H      -4.731882     -4.215181      0.717697
  H      -1.946968     -5.184020      1.554404
  H      -2.999595     -5.963740      0.341712
  C      -1.505944      0.460045      0.791292
  C      -1.471299     -0.280414      1.911501
  C      -0.842611      0.232333      3.177627
  C      -2.011241     -1.696395      1.941329
  C      -3.543002     -1.845108      2.244390
  C      -4.410142     -1.280822      1.107634
  C      -3.905826     -1.071246      3.505652
  C      -7.241774     -6.521419      6.639283
  C      -8.086524     -5.688380      6.009223
  C      -8.962624     -4.732993      6.773261
  C      -8.242140     -5.737917      4.499046
  C      -7.254082     -4.862865      3.657368
  C      -7.753001     -4.846399      2.195026
  C      -7.294863     -3.423834      4.160047
  C      -3.016700     -5.651222      8.899195
  C      -2.810028     -6.155124      7.671579
  C      -3.842946     -7.024460      7.008099
  C      -1.522305     -5.910117      6.931325
  C      -1.544880     -4.809705      5.820175
  C      -0.097216     -4.593343      5.330120
  C      -1.987284     -3.491366      6.445542
  H      -1.115292      1.480560      0.770191
  H      -1.916740      0.068305     -0.141286
  H      -1.541229      0.190424      4.030314
  H      -0.494046      1.269658      3.065013
  H       0.023519     -0.395784      3.455338
  H      -1.481424     -2.276356      2.714614
  H      -1.798072     -2.178864      0.975462
  H      -4.226466     -0.203199      1.016633
  H      -5.474866     -1.432888      1.336631
  H      -4.194186     -1.732739      0.131974
  H      -4.962369     -1.219776      3.765702
  H      -3.293423     -1.353743      4.367547
  H      -3.751505     -0.002367      3.314056
  H      -6.653266     -7.257616      6.086501
  H      -7.123892     -6.505447      7.728192
  H     -10.023819     -4.975734      6.603268
  H      -8.828012     -3.687582      6.444011
  H      -8.769649     -4.785402      7.856961
  H      -8.165051     -6.786279      4.165634
  H      -9.255796     -5.405946      4.223041
  H      -7.853448     -5.852629      1.763261
  H      -7.063830     -4.259494      1.569070
  H      -8.744064     -4.372747      2.155808
  H      -8.328051     -3.063363      4.107173
  H      -6.966353     -3.341355      5.198259
  H      -6.676843     -2.760433      3.540898
  H      -3.944932     -5.839154      9.440670
  H      -2.258841     -5.045977      9.403785
  H      -4.160884     -6.608094      6.039837
  H      -3.422266     -8.020311      6.786331
  H      -4.727922     -7.157255      7.640029
  H      -0.749689     -5.593432      7.647121
  H      -1.170850     -6.856755      6.489000
  H       0.395358     -5.519287      5.013558
  H       0.498449     -4.175149      6.149371
  H      -0.071716     -3.877864      4.493740
  H      -2.930371     -3.576560      6.985247
  H      -1.221513     -3.187926      7.166045
  H      -2.069487     -2.695856      5.696285
  N      -4.508268     -3.340239      5.185492
  H      -4.864408     -2.675105      5.875252
85
Coordinates from ORCA-job orca E -5421.267252695786
  N      -3.766880     -3.321197      2.353788
  C      -3.676169     -4.064796      1.081189
  C      -2.970710     -5.387612      1.266695
  N      -3.617416     -6.129756      2.369457
  C      -4.863322     -6.804615      1.952290
  C      -5.791691     -6.784054      3.146066
  N      -5.864845     -5.410862      3.655284
  Mo     -4.125966     -4.450159      3.935195
  N      -2.451847     -5.253887      4.683985
  C      -1.744617     -6.272290      3.892321
  C      -2.707140     -7.064669      3.053075
  H      -1.208913     -6.963362      4.559691
  H      -0.977610     -5.790928      3.261609
  H      -3.322617     -7.699555      3.706646
  H      -2.186701     -7.711616      2.325008
  H      -6.783269     -7.150846      2.853619
  H      -5.435036     -7.464917      3.938121
  H      -5.312124     -6.230795      1.131884
  H      -4.644060     -7.824760      1.593915
  H      -3.108614     -3.483459      0.342584
  H      -4.690688     -4.206249      0.669168
  H      -1.925676     -5.197063      1.545701
  H      -2.979020     -5.986482      0.339147
  C      -1.519437      0.463684      0.741106
  C      -1.472696     -0.261792      1.868715
  C      -0.853513      0.275617      3.129792
  C      -1.991455     -1.682256      1.910252
  C      -3.523544     -1.847619      2.195151
  C      -4.380113     -1.305450      1.035531
  C      -3.909330     -1.055280      3.438682
  C      -7.200919     -6.504927      6.637563
  C      -8.052255     -5.670200      6.025799
  C      -8.908335     -4.710776      6.803172
  C      -8.233314     -5.710419      4.523431
  C      -7.252762     -4.840812      3.667772
  C      -7.775890     -4.818190      2.213006
  C      -7.279536     -3.407848      4.183215
  C      -2.991760     -5.780106      8.939269
  C      -2.796844     -6.257689      7.699751
  C      -3.816873     -7.146073      7.042052
  C      -1.535962     -5.956899      6.938444
  C      -1.602712     -4.820326      5.864793
  C      -0.161276     -4.536689      5.381067
  C      -2.088951     -3.545783      6.538332
  H      -1.144706      1.487675      0.709375
  H      -1.925294      0.053698     -0.186427
  H      -1.545558      0.229018      3.982332
  H      -0.526642      1.314712      3.009031
  H       0.021817     -0.329284      3.413322
  H      -1.462000     -2.246082      2.696159
  H      -1.759566     -2.169084      0.951250
  H      -4.197504     -0.228897      0.922745
  H      -5.446008     -1.450611      1.254684
  H      -4.152872     -1.777488      0.071024
  H      -4.965678     -1.210856      3.690060
  H      -3.294260     -1.311275      4.314559
  H      -3.770846      0.014452      3.228287
  H      -6.623182     -7.239205      6.073622
  H      -7.068188     -6.498502      7.719318
  H      -9.974279     -4.935773      6.646410
  H      -8.766121     -3.671519      6.481120
  H      -8.705012     -4.770666      7.877722
  H      -8.171949     -6.753971      4.182742
  H      -9.248401     -5.367345      4.268924
  H      -7.892152     -5.823309      1.783223
  H      -7.094666     -4.238286      1.573169
  H      -8.761880     -4.335905      2.189439
  H      -8.311974     -3.038628      4.151341
  H      -6.925009     -3.340114      5.218444
  H      -6.666504     -2.748279      3.560531
  H      -3.902402     -6.014688      9.491991
  H      -2.248277     -5.155502      9.438749
  H      -4.152572     -6.722321      6.083723
  H      -3.379035     -8.129233      6.801088
  H      -4.694114     -7.302203      7.679380
  H      -0.760087     -5.636832      7.649036
  H      -1.162850     -6.878395      6.463580
  H       0.363577     -5.432974      5.030580
  H       0.423784     -4.127412      6.212753
  H      -0.164887     -3.790863      4.571176
  H      -3.046920     -3.673122      7.051900
  H      -1.344352     -3.264738      7.294487
  H      -2.170019     -2.712813      5.825469
  N      -4.527298     -3.290091      5.141414
  H      -4.880407     -2.611645      5.820293
85
Coordinates from ORCA-job orca E -5421.268298405731
  N      -3.750827     -3.315166      2.327540
  C      -3.662512     -4.058421      1.055002
  C      -2.971863     -5.387668      1.254628
  N      -3.622431     -6.103784      2.370500
  C      -4.873037     -6.777410      1.965100
  C      -5.794657     -6.755873      3.165356
  N      -5.871461     -5.381103      3.670345
  Mo     -4.136885     -4.417098      3.925686
  N      -2.484863     -5.232080      4.704330
  C      -1.761253     -6.237036      3.909574
  C      -2.712721     -7.035727      3.060787
  H      -1.221505     -6.928835      4.571870
  H      -0.996548     -5.744288      3.286057
  H      -3.324792     -7.680124      3.707742
  H      -2.180185     -7.676578      2.336480
  H      -6.784576     -7.131485      2.882800
  H      -5.426658     -7.433001      3.955394
  H      -5.329026     -6.203368      1.148849
  H      -4.660902     -7.799075      1.606382
  H      -3.085166     -3.488275      0.316056
  H      -4.674380     -4.191650      0.633922
  H      -1.923408     -5.204906      1.525867
  H      -2.988665     -6.000402      0.336449
  C      -1.486148      0.448532      0.687315
  C      -1.436877     -0.269446      1.817567
  C      -0.801323      0.271677      3.067583
  C      -1.967218     -1.685090      1.871764
  C      -3.498900     -1.842988      2.165370
  C      -4.359290     -1.289178      1.015691
  C      -3.865960     -1.046489      3.410230
  C      -7.200228     -6.523603      6.632857
  C      -8.056418     -5.690321      6.031838
  C      -8.920653     -4.750548      6.823575
  C      -8.238431     -5.709209      4.532484
  C      -7.265246     -4.824553      3.682030
  C      -7.783977     -4.811413      2.225621
  C      -7.321073     -3.391863      4.197314
  C      -2.962361     -5.868356      8.966085
  C      -2.771917     -6.325100      7.719895
  C      -3.767495     -7.237386      7.062961
  C      -1.534315     -5.965297      6.943396
  C      -1.648785     -4.805835      5.893283
  C      -0.219754     -4.461639      5.406180
  C      -2.177167     -3.569926      6.603504
  H      -1.101009      1.468450      0.645392
  H      -1.902746      0.036030     -0.232696
  H      -1.485638      0.237483      3.926016
  H      -0.465838      1.307076      2.935610
  H       0.070710     -0.338511      3.346118
  H      -1.438237     -2.247238      2.657389
  H      -1.742672     -2.176716      0.914394
  H      -4.168491     -0.215670      0.906911
  H      -5.425444     -1.426002      1.241673
  H      -4.143667     -1.757541      0.049052
  H      -4.922686     -1.190048      3.670067
  H      -3.245043     -1.309256      4.275176
  H      -3.716805      0.020303      3.199198
  H      -6.611363     -7.241215      6.061867
  H      -7.072070     -6.533031      7.713572
  H      -9.985784     -4.973798      6.650395
  H      -8.774077     -3.701931      6.528683
  H      -8.728328     -4.837175      7.899851
  H      -8.173104     -6.746170      4.177954
  H      -9.254392     -5.366639      4.287416
  H      -7.882848     -5.819149      1.797202
  H      -7.109615     -4.221774      1.586289
  H      -8.777487     -4.344982      2.198938
  H      -8.358614     -3.039996      4.156430
  H      -6.978923     -3.325532      5.233870
  H      -6.708747     -2.720538      3.581017
  H      -3.855167     -6.144320      9.530066
  H      -2.236551     -5.220993      9.459706
  H      -4.122413     -6.806392      6.114905
  H      -3.302616     -8.204046      6.808983
  H      -4.635038     -7.424802      7.704572
  H      -0.758708     -5.633615      7.649208
  H      -1.134488     -6.862880      6.446755
  H       0.332357     -5.332317      5.031397
  H       0.358179     -4.048918      6.243093
  H      -0.259252     -3.700310      4.612739
  H      -3.149947     -3.737685      7.078798
  H      -1.463764     -3.310644      7.397559
  H      -2.248584     -2.709834      5.923344
  N      -4.541742     -3.231570      5.109628
  H      -4.884187     -2.538830      5.779566
85
Coordinates from ORCA-job orca E -5421.269051794268
  N      -3.742655     -3.311256      2.305894
  C      -3.655922     -4.050978      1.031032
  C      -2.974086     -5.386295      1.237785
  N      -3.628177     -6.082657      2.363842
  C      -4.881584     -6.757239      1.964594
  C      -5.798490     -6.739080      3.169965
  N      -5.881628     -5.361260      3.674704
  Mo     -4.155102     -4.392084      3.914109
  N      -2.525217     -5.214322      4.723053
  C      -1.780803     -6.202177      3.922113
  C      -2.718076     -7.010318      3.062005
  H      -1.233227     -6.894169      4.576516
  H      -1.020888     -5.695102      3.304837
  H      -3.325169     -7.666735      3.700682
  H      -2.170198     -7.642832      2.342404
  H      -6.784906     -7.125836      2.892250
  H      -5.419338     -7.413963      3.956464
  H      -5.343664     -6.181960      1.152217
  H      -4.674468     -7.778756      1.602296
  H      -3.075025     -3.486657      0.290527
  H      -4.665300     -4.182178      0.603412
  H      -1.923142     -5.210488      1.502714
  H      -2.998273     -6.007715      0.325945
  C      -1.416417      0.406588      0.628093
  C      -1.402330     -0.284797      1.780377
  C      -0.789945      0.280171      3.033127
  C      -1.946611     -1.695497      1.859488
  C      -3.482247     -1.840239      2.141766
  C      -4.333157     -1.284431      0.985836
  C      -3.846509     -1.031052      3.380458
  C      -7.162085     -6.533964      6.626365
  C      -8.027069     -5.689820      6.047903
  C      -8.868429     -4.745787      6.862508
  C      -8.241779     -5.695413      4.555200
  C      -7.279575     -4.814968      3.694256
  C      -7.803221     -4.810942      2.241270
  C      -7.340591     -3.380657      4.201180
  C      -2.951677     -5.973337      8.983234
  C      -2.753935     -6.397746      7.728227
  C      -3.710262     -7.336990      7.057873
  C      -1.538258     -5.966270      6.948480
  C      -1.707321     -4.788444      5.922023
  C      -0.297265     -4.372502      5.440628
  C      -2.287014     -3.596611      6.667631
  H      -1.018406      1.421662      0.568318
  H      -1.813248     -0.023934     -0.293814
  H      -1.499714      0.281754      3.878187
  H      -0.433632      1.308326      2.876733
  H       0.069172     -0.340875      3.351535
  H      -1.431760     -2.245499      2.663957
  H      -1.712244     -2.208527      0.914313
  H      -4.136578     -0.211634      0.875861
  H      -5.401648     -1.416733      1.207995
  H      -4.115923     -1.756826      0.021005
  H      -4.907443     -1.156113      3.634314
  H      -3.233358     -1.298281      4.247692
  H      -3.680276      0.031378      3.163164
  H      -6.585619     -7.252526      6.042581
  H      -7.010884     -6.548013      7.705304
  H      -9.940646     -4.952753      6.703116
  H      -8.715040     -3.696615      6.576247
  H      -8.656973     -4.845303      7.933278
  H      -8.194480     -6.728909      4.191320
  H      -9.259068     -5.338273      4.333129
  H      -7.894780     -5.819554      1.818782
  H      -7.135523     -4.220283      1.599203
  H      -8.800681     -4.352893      2.214980
  H      -8.383307     -3.038674      4.162187
  H      -6.993670     -3.309545      5.236131
  H      -6.734386     -2.710138      3.576869
  H      -3.826141     -6.297504      9.551805
  H      -2.249991     -5.303900      9.480792
  H      -4.084289     -6.895793      6.122252
  H      -3.206536     -8.279199      6.787097
  H      -4.567928     -7.570335      7.697130
  H      -0.770470     -5.617820      7.654655
  H      -1.101443     -6.835501      6.433311
  H       0.290445     -5.212542      5.050548
  H       0.261794     -3.947036      6.284340
  H      -0.376277     -3.602174      4.659447
  H      -3.272752     -3.809887      7.094761
  H      -1.612830     -3.360706      7.502091
  H      -2.349635     -2.710279      6.023415
  N      -4.572771     -3.193140      5.078866
  H      -4.906730     -2.490755      5.743175
85
Coordinates from ORCA-job orca E -5421.269648020827
  N      -3.725401     -3.303511      2.289388
  C      -3.646805     -4.044664      1.014478
  C      -2.974415     -5.386718      1.228295
  N      -3.632767     -6.062235      2.365174
  C      -4.888363     -6.737539      1.969675
  C      -5.803776     -6.714763      3.176221
  N      -5.894196     -5.330205      3.672523
  Mo     -4.171393     -4.361600      3.906348
  N      -2.567156     -5.195532      4.751774
  C      -1.802575     -6.168732      3.947774
  C      -2.725455     -6.985498      3.076970
  H      -1.248572     -6.860016      4.597855
  H      -1.045988     -5.650110      3.335367
  H      -3.331716     -7.649204      3.708904
  H      -2.162304     -7.613889      2.365773
  H      -6.786878     -7.113919      2.901388
  H      -5.417303     -7.382004      3.965428
  H      -5.351894     -6.163962      1.156164
  H      -4.686091     -7.760417      1.608943
  H      -3.065510     -3.488489      0.268206
  H      -4.656409     -4.174978      0.586873
  H      -1.920692     -5.219409      1.487011
  H      -3.008656     -6.016685      0.323269
  C      -1.408601      0.394048      0.578448
  C      -1.362729     -0.299803      1.721808
  C      -0.696978      0.254911      2.949678
  C      -1.922425     -1.704097      1.814079
  C      -3.455202     -1.833512      2.118243
  C      -4.316684     -1.275792      0.972383
  C      -3.791888     -1.010097      3.356273
  C      -7.100066     -6.544514      6.601181
  C      -7.996959     -5.713455      6.053817
  C      -8.844261     -4.803013      6.903681
  C      -8.241105     -5.698487      4.563895
  C      -7.298195     -4.799005      3.701457
  C      -7.823296     -4.790766      2.249047
  C      -7.374502     -3.363753      4.215937
  C      -2.966517     -6.062092      9.003310
  C      -2.753032     -6.451641      7.739495
  C      -3.664415     -7.415405      7.044706
  C      -1.554116     -5.955970      6.968937
  C      -1.769086     -4.767617      5.961999
  C      -0.377469     -4.291250      5.492830
  C      -2.395490     -3.616109      6.737269
  H      -0.999221      1.403924      0.509837
  H      -1.846206     -0.026720     -0.327018
  H      -1.370323      0.253700      3.817712
  H      -0.340139      1.280536      2.788321
  H       0.166103     -0.368850      3.225871
  H      -1.401517     -2.254708      2.612086
  H      -1.708588     -2.223244      0.869269
  H      -4.114669     -0.203064      0.858938
  H      -5.383345     -1.405782      1.210700
  H      -4.116168     -1.751493      0.004383
  H      -4.852196     -1.116091      3.622629
  H      -3.172945     -1.280216      4.218290
  H      -3.609900      0.047672      3.125973
  H      -6.515563     -7.240602      5.997399
  H      -6.925379     -6.565400      7.679241
  H      -9.912225     -5.029511      6.760049
  H      -8.717382     -3.745132      6.633173
  H      -8.611337     -4.917176      7.969308
  H      -8.195757     -6.727480      4.181363
  H      -9.263787     -5.341203      4.365420
  H      -7.894998     -5.797536      1.816008
  H      -7.166172     -4.179790      1.613532
  H      -8.830721     -4.351455      2.228588
  H      -8.424119     -3.036245      4.179927
  H      -7.028008     -3.293135      5.252788
  H      -6.779015     -2.682125      3.589168
  H      -3.825621     -6.429585      9.569396
  H      -2.289950     -5.374899      9.512678
  H      -4.052097     -6.963278      6.120276
  H      -3.119479     -8.329886      6.757291
  H      -4.514066     -7.699028      7.675988
  H      -0.799241     -5.591285      7.680557
  H      -1.081706     -6.799683      6.442196
  H       0.241402     -5.105797      5.097052
  H       0.159030     -3.850909      6.343396
  H      -0.486548     -3.519423      4.717326
  H      -3.394629     -3.865990      7.109224
  H      -1.763876     -3.408678      7.611297
  H      -2.441792     -2.705493      6.129656
  N      -4.599015     -3.145222      5.046358
  H      -4.918210     -2.430331      5.703438
85
Coordinates from ORCA-job orca E -5421.270177461034
  N      -3.703226     -3.299579      2.282086
  C      -3.637162     -4.042958      1.009436
  C      -2.972873     -5.389355      1.223821
  N      -3.635376     -6.051899      2.365755
  C      -4.891332     -6.726789      1.971308
  C      -5.808483     -6.694977      3.175008
  N      -5.904265     -5.304343      3.657394
  Mo     -4.185187     -4.340272      3.900563
  N      -2.607579     -5.192819      4.779016
  C      -1.824884     -6.147697      3.971224
  C      -2.732686     -6.969958      3.090632
  H      -1.263888     -6.836762      4.618308
  H      -1.072859     -5.614557      3.364125
  H      -3.341803     -7.638328      3.715148
  H      -2.155747     -7.594762      2.387305
  H      -6.789987     -7.101149      2.901098
  H      -5.421326     -7.352132      3.972148
  H      -5.351725     -6.155952      1.153685
  H      -4.691596     -7.751402      1.614428
  H      -3.059715     -3.491752      0.256654
  H      -4.649867     -4.172283      0.588598
  H      -1.916601     -5.230877      1.478682
  H      -3.017830     -6.022823      0.322013
  C      -1.383340      0.357593      0.509978
  C      -1.342284     -0.302247      1.676973
  C      -0.687106      0.290242      2.895991
  C      -1.896313     -1.705738      1.807235
  C      -3.429350     -1.829408      2.106104
  C      -4.289776     -1.276094      0.955867
  C      -3.765227     -0.997060      3.338457
  C      -7.013852     -6.517529      6.581984
  C      -7.942535     -5.702675      6.065427
  C      -8.777861     -4.808178      6.943436
  C      -8.232546     -5.687068      4.582904
  C      -7.313390     -4.784884      3.701157
  C      -7.853270     -4.787605      2.255469
  C      -7.394877     -3.346249      4.206749
  C      -2.984081     -6.166363      9.011770
  C      -2.755768     -6.514135      7.737267
  C      -3.629367     -7.490933      7.010959
  C      -1.571074     -5.962968      6.982096
  C      -1.825818     -4.764693      5.998832
  C      -0.451004     -4.236881      5.537705
  C      -2.493195     -3.653250      6.801952
  H      -0.978195      1.366556      0.414279
  H      -1.813950     -0.090867     -0.389075
  H      -1.366690      0.313715      3.761096
  H      -0.332420      1.310916      2.705904
  H       0.176514     -0.325238      3.197107
  H      -1.378145     -2.231276      2.625968
  H      -1.673860     -2.252398      0.878543
  H      -4.097060     -0.202098      0.845853
  H      -5.354703     -1.417223      1.189658
  H      -4.082649     -1.747535     -0.011939
  H      -4.828426     -1.085829      3.596331
  H      -3.155149     -1.269733      4.208312
  H      -3.568216      0.055918      3.100931
  H      -6.436508     -7.205524      5.962650
  H      -6.803198     -6.528975      7.653818
  H      -9.846321     -5.045066      6.825448
  H      -8.669359     -3.746401      6.675585
  H      -8.514672     -4.926569      8.002335
  H      -8.200436     -6.714645      4.194547
  H      -9.260574     -5.328349      4.413662
  H      -7.910795     -5.795633      1.823810
  H      -7.212005     -4.165241      1.615133
  H      -8.869360     -4.366165      2.243578
  H      -8.447080     -3.030887      4.172787
  H      -7.044672     -3.261990      5.240221
  H      -6.811643     -2.664982      3.571195
  H      -3.830197     -6.572880      9.569896
  H      -2.328651     -5.470929      9.539118
  H      -4.028181     -7.023718      6.099635
  H      -3.049525     -8.375988      6.698994
  H      -4.470657     -7.825170      7.630933
  H      -0.829565     -5.587758      7.702144
  H      -1.068709     -6.782045      6.443312
  H       0.192747     -5.029221      5.134014
  H       0.069644     -3.786490      6.393520
  H      -0.585302     -3.463206      4.767562
  H      -3.503868     -3.930222      7.121231
  H      -1.900218     -3.480235      7.709573
  H      -2.522893     -2.717849      6.233430
  N      -4.611924     -3.108542      5.024906
  H      -4.911803     -2.382793      5.678606
85
Coordinates from ORCA-job orca E -5421.270751577284
  N      -3.703444     -3.288008      2.290641
  C      -3.648689     -4.029944      1.018139
  C      -2.975670     -5.372567      1.222796
  N      -3.632332     -6.042025      2.364570
  C      -4.879850     -6.731193      1.967455
  C      -5.805986     -6.697810      3.162999
  N      -5.919007     -5.302885      3.628679
  Mo     -4.209548     -4.328242      3.900304
  N      -2.646562     -5.184060      4.805538
  C      -1.837764     -6.109909      3.990249
  C      -2.721699     -6.944663      3.097826
  H      -1.261485     -6.790105      4.633157
  H      -1.097526     -5.552052      3.388962
  H      -3.327229     -7.623875      3.713216
  H      -2.126230     -7.557475      2.399071
  H      -6.781133     -7.115436      2.884724
  H      -5.419986     -7.339868      3.972501
  H      -5.338416     -6.170141      1.142370
  H      -4.668249     -7.755846      1.616716
  H      -3.082704     -3.473366      0.260062
  H      -4.665779     -4.165981      0.609374
  H      -1.919183     -5.211042      1.475266
  H      -3.024844     -6.002417      0.318430
  C      -1.375933      0.321088      0.457855
  C      -1.313777     -0.325278      1.630755
  C      -0.615670      0.271062      2.823085
  C      -1.883379     -1.720547      1.792039
  C      -3.412949     -1.818764      2.117129
  C      -4.286645     -1.249254      0.986048
  C      -3.713154     -0.988836      3.358406
  C      -6.928849     -6.467884      6.582273
  C      -7.883106     -5.669647      6.082852
  C      -8.692116     -4.761158      6.967342
  C      -8.225424     -5.686469      4.610714
  C      -7.334918     -4.799804      3.688050
  C      -7.902442     -4.835484      2.254699
  C      -7.415556     -3.352113      4.163257
  C      -3.021824     -6.277068      9.003926
  C      -2.761321     -6.569695      7.721683
  C      -3.584582     -7.555016      6.947699
  C      -1.589994     -5.951811      7.000740
  C      -1.885924     -4.749050      6.037576
  C      -0.531898     -4.157808      5.595067
  C      -2.609485     -3.684966      6.856443
  H      -0.959033      1.323743      0.339730
  H      -1.837498     -0.130615     -0.423310
  H      -1.271503      0.316818      3.705940
  H      -0.248514      1.284131      2.611177
  H       0.244689     -0.355915      3.107509
  H      -1.357409     -2.239792      2.609183
  H      -1.683480     -2.285129      0.869771
  H      -4.093771     -0.174733      0.887554
  H      -5.348258     -1.394547      1.233457
  H      -4.093942     -1.707700      0.009573
  H      -4.776213     -1.048656      3.626505
  H      -3.105057     -1.282706      4.220795
  H      -3.487356      0.058077      3.122780
  H      -6.375720     -7.172816      5.961203
  H      -6.676719     -6.449348      7.645018
  H      -9.765131     -5.002560      6.887687
  H      -8.596378     -3.704676      6.673647
  H      -8.391198     -4.857420      8.018429
  H      -8.209370     -6.719798      4.239173
  H      -9.258796     -5.331284      4.467220
  H      -7.949252     -5.849686      1.839229
  H      -7.284094     -4.211773      1.595335
  H      -8.926123     -4.433138      2.253600
  H      -8.471919     -3.047490      4.139393
  H      -7.047921     -3.235999      5.188364
  H      -6.852351     -2.681832      3.501476
  H      -3.858252     -6.730490      9.538438
  H      -2.398894     -5.575965      9.562981
  H      -3.996680     -7.069388      6.052149
  H      -2.960747     -8.396529      6.603648
  H      -4.411971     -7.956320      7.545554
  H      -0.877152     -5.559568      7.739256
  H      -1.044719     -6.740117      6.457418
  H       0.146197     -4.920702      5.190262
  H      -0.037630     -3.694792      6.458626
  H      -0.689743     -3.383444      4.828858
  H      -3.624632     -3.996063      7.122304
  H      -2.057613     -3.537232      7.792413
  H      -2.636528     -2.727244      6.323171
  N      -4.651181     -3.095687      5.015404
  H      -4.942582     -2.366312      5.669756
85
Coordinates from ORCA-job orca E -5421.271345373718
  N      -3.702791     -3.275637      2.293210
  C      -3.669357     -4.024316      1.024504
  C      -2.988340     -5.361558      1.223435
  N      -3.634624     -6.035499      2.368201
  C      -4.873817     -6.740880      1.976798
  C      -5.808051     -6.693465      3.164588
  N      -5.935083     -5.291890      3.599897
  Mo     -4.232772     -4.310074      3.896149
  N      -2.683007     -5.169999      4.827008
  C      -1.850960     -6.067895      4.005199
  C      -2.713407     -6.918446      3.109106
  H      -1.256670     -6.735218      4.644950
  H      -1.127073     -5.487132      3.405978
  H      -3.314291     -7.603645      3.721515
  H      -2.103645     -7.523073      2.415621
  H      -6.779755     -7.121113      2.888081
  H      -5.424577     -7.313700      3.991763
  H      -5.331512     -6.197478      1.140018
  H      -4.650344     -7.768750      1.643218
  H      -3.120427     -3.467345      0.254487
  H      -4.694355     -4.166351      0.638097
  H      -1.930997     -5.195874      1.469564
  H      -3.044407     -5.990702      0.319058
  C      -1.341568      0.287455      0.431864
  C      -1.278013     -0.351230      1.609484
  C      -0.566358      0.243179      2.794226
  C      -1.862417     -1.737294      1.785759
  C      -3.393183     -1.810521      2.112916
  C      -4.266496     -1.235178      0.981909
  C      -3.677179     -0.978889      3.357028
  C      -6.840212     -6.382673      6.602073
  C      -7.826142     -5.620292      6.109676
  C      -8.629762     -4.709267      6.991819
  C      -8.208796     -5.685730      4.647280
  C      -7.356690     -4.809298      3.677037
  C      -7.958264     -4.894666      2.259781
  C      -7.448426     -3.349610      4.109843
  C      -3.031581     -6.404485      8.977987
  C      -2.747245     -6.632166      7.687242
  C      -3.532615     -7.611487      6.862367
  C      -1.594472     -5.944940      7.001496
  C      -1.939983     -4.732398      6.070229
  C      -0.613094     -4.069808      5.644882
  C      -2.717315     -3.728132      6.915113
  H      -0.915760      1.283844      0.303819
  H      -1.813842     -0.163338     -0.442728
  H      -1.218081      0.305795      3.679574
  H      -0.187178      1.248642      2.572122
  H       0.289206     -0.393229      3.082147
  H      -1.340800     -2.253715      2.607688
  H      -1.668566     -2.313772      0.871515
  H      -4.074401     -0.159062      0.883280
  H      -5.327487     -1.381271      1.230667
  H      -4.073290     -1.693848      0.003385
  H      -4.742160     -1.011124      3.620591
  H      -3.080725     -1.292677      4.223722
  H      -3.424088      0.062944      3.125276
  H      -6.297350     -7.097557      5.985416
  H      -6.558620     -6.330863      7.656483
  H      -9.697245     -4.979808      6.953688
  H      -8.569958     -3.660886      6.664535
  H      -8.295057     -4.767228      8.034519
  H      -8.186930     -6.727879      4.301753
  H      -9.251150     -5.354506      4.523028
  H      -7.989916     -5.918314      1.867256
  H      -7.372362     -4.270727      1.571842
  H      -8.990734     -4.518799      2.273992
  H      -8.507995     -3.059998      4.093237
  H      -7.068222     -3.191159      5.123233
  H      -6.906704     -2.690511      3.419856
  H      -3.855748     -6.907271      9.486476
  H      -2.437753     -5.706203      9.572244
  H      -3.960934     -7.103263      5.986487
  H      -2.873667     -8.408486      6.479006
  H      -4.342338     -8.077039      7.438164
  H      -0.909696     -5.541105      7.760590
  H      -1.009022     -6.694173      6.445222
  H       0.098107     -4.793432      5.224265
  H      -0.138877     -3.605791      6.519203
  H      -0.802124     -3.285810      4.894677
  H      -3.732253     -4.080624      7.141126
  H      -2.190616     -3.604908      7.871662
  H      -2.760412     -2.747063      6.422295
  N      -4.681924     -3.068488      4.998769
  H      -4.959959     -2.331941      5.650821
85
Coordinates from ORCA-job orca E -5421.271453641621
  N      -3.708097     -3.268969      2.293477
  C      -3.682357     -4.017496      1.024115
  C      -2.993608     -5.351581      1.218990
  N      -3.634126     -6.030903      2.364080
  C      -4.867526     -6.748049      1.974170
  C      -5.808092     -6.695984      3.157681
  N      -5.945208     -5.290444      3.579226
  Mo     -4.252355     -4.302425      3.890370
  N      -2.710120     -5.158747      4.835476
  C      -1.857902     -6.037355      4.011369
  C      -2.703508     -6.900961      3.109453
  H      -1.250662     -6.695725      4.648000
  H      -1.144418     -5.439337      3.415271
  H      -3.298519     -7.595341      3.717700
  H      -2.081009     -7.496771      2.418912
  H      -6.777302     -7.130742      2.882340
  H      -5.423110     -7.307480      3.991847
  H      -5.326002     -6.215236      1.130224
  H      -4.635433     -7.777581      1.650240
  H      -3.142965     -3.457376      0.249232
  H      -4.710036     -4.164748      0.646759
  H      -1.936332     -5.181632      1.462898
  H      -3.049230     -5.979103      0.313120
  C      -1.320436      0.259223      0.414387
  C      -1.248075     -0.378612      1.591623
  C      -0.510475      0.206638      2.765855
  C      -1.849853     -1.756335      1.777188
  C      -3.378658     -1.807339      2.118558
  C      -4.254902     -1.211868      1.002179
  C      -3.636554     -0.979581      3.370682
  C      -6.789292     -6.340832      6.619972
  C      -7.792400     -5.599758      6.130060
  C      -8.589128     -4.681084      7.008501
  C      -8.197827     -5.693226      4.675396
  C      -7.371299     -4.819355      3.675141
  C      -7.999482     -4.929668      2.267933
  C      -7.470552     -3.352406      4.090109
  C      -3.061251     -6.472262      8.955824
  C      -2.746255     -6.667647      7.667287
  C      -3.487070     -7.662192      6.811729
  C      -1.605664     -5.919025      7.009430
  C      -1.984635     -4.709375      6.085718
  C      -0.674958     -4.002235      5.673340
  C      -2.801082     -3.735625      6.928553
  H      -0.881615      1.249453      0.278253
  H      -1.811337     -0.186896     -0.453525
  H      -1.146534      0.275416      3.660779
  H      -0.124671      1.207346      2.540095
  H       0.343401     -0.437599      3.039518
  H      -1.327992     -2.277294      2.595338
  H      -1.671636     -2.339345      0.863244
  H      -4.060878     -0.136903      0.918333
  H      -5.314668     -1.357412      1.253563
  H      -4.067322     -1.655441      0.018166
  H      -4.701631     -0.991129      3.640829
  H      -3.040726     -1.313366      4.229430
  H      -3.362554      0.059556      3.146348
  H      -6.250929     -7.058989      6.005651
  H      -6.487968     -6.267179      7.667589
  H      -9.655178     -4.966714      6.997938
  H      -8.547562     -3.638010      6.656924
  H      -8.233128     -4.714390      8.046251
  H      -8.170411     -6.740315      4.345439
  H      -9.246310     -5.375946      4.564949
  H      -8.020961     -5.958912      1.885700
  H      -7.438487     -4.300221      1.560002
  H      -9.040201     -4.571308      2.298616
  H      -8.532748     -3.069387      4.083890
  H      -7.078856     -3.176507      5.097536
  H      -6.943692     -2.696682      3.383327
  H      -3.877795     -7.018975      9.443115
  H      -2.500527     -5.759764      9.571473
  H      -3.930576     -7.142373      5.948203
  H      -2.790453     -8.424833      6.406723
  H      -4.284210     -8.179126      7.371995
  H      -0.950974     -5.488981      7.783205
  H      -0.975784     -6.641663      6.458121
  H       0.061105     -4.702700      5.252164
  H      -0.218798     -3.528215      6.552744
  H      -0.883780     -3.219323      4.927275
  H      -3.818571     -4.108556      7.113499
  H      -2.303641     -3.618564      7.904308
  H      -2.841167     -2.749465      6.453854
  N      -4.711455     -3.060988      4.989627
  H      -4.977719     -2.323863      5.646453
85
Coordinates from ORCA-job orca E -5421.270053870758
  N      -3.721727     -3.266093      2.316069
  C      -3.699298     -4.016640      1.044942
  C      -2.992425     -5.344041      1.232370
  N      -3.624793     -6.049119      2.369525
  C      -4.850041     -6.780746      1.979010
  C      -5.803542     -6.715913      3.154407
  N      -5.945280     -5.304480      3.552910
  Mo     -4.257834     -4.319307      3.895242
  N      -2.700596     -5.166458      4.829273
  C      -1.841736     -6.035715      4.007377
  C      -2.680787     -6.908826      3.110276
  H      -1.223682     -6.683127      4.642698
  H      -1.139422     -5.430528      3.408789
  H      -3.268617     -7.607033      3.722716
  H      -2.056341     -7.499691      2.419016
  H      -6.771991     -7.151355      2.878781
  H      -5.423527     -7.320010      3.998042
  H      -5.306886     -6.266318      1.121188
  H      -4.605519     -7.814579      1.676095
  H      -3.174713     -3.448373      0.263894
  H      -4.730720     -4.174396      0.681435
  H      -1.937022     -5.161932      1.479204
  H      -3.035599     -5.960444      0.317853
  C      -1.368893      0.270483      0.438425
  C      -1.257187     -0.386935      1.602722
  C      -0.476093      0.176386      2.767839
  C      -1.862801     -1.764152      1.780771
  C      -3.381821     -1.808283      2.153187
  C      -4.275349     -1.189452      1.065642
  C      -3.609124     -1.000285      3.423818
  C      -6.774952     -6.264918      6.653761
  C      -7.780350     -5.552372      6.138205
  C      -8.583304     -4.609292      6.984904
  C      -8.176164     -5.698821      4.689047
  C      -7.368806     -4.838339      3.659097
  C      -8.021934     -4.990007      2.262691
  C      -7.474751     -3.359786      4.040488
  C      -3.103527     -6.457087      8.895376
  C      -2.756401     -6.657336      7.628556
  C      -3.472340     -7.640713      6.746911
  C      -1.614497     -5.904251      7.016365
  C      -1.981824     -4.711689      6.080485
  C      -0.682613     -4.024648      5.680191
  C      -2.787660     -3.735842      6.891983
  H      -0.927673      1.261355      0.304703
  H      -1.892511     -0.161129     -0.424563
  H      -1.076753      0.231185      3.685914
  H      -0.100150      1.181283      2.550124
  H       0.386831     -0.471334      3.001890
  H      -1.324659     -2.300635      2.578939
  H      -1.714777     -2.339079      0.853959
  H      -4.087822     -0.115255      1.003218
  H      -5.329669     -1.341594      1.326365
  H      -4.098710     -1.607240      0.072177
  H      -4.669452     -1.012477      3.709826
  H      -3.000682     -1.358787      4.262882
  H      -3.331919      0.043452      3.222613
  H      -6.229885     -6.991385      6.056240
  H      -6.475758     -6.157728      7.694675
  H      -9.640447     -4.919577      7.000312
  H      -8.566498     -3.579735      6.588245
  H      -8.219753     -4.592070      8.020840
  H      -8.121684     -6.757546      4.395089
  H      -9.228818     -5.408766      4.569425
  H      -8.044387     -6.028654      1.902770
  H      -7.483408     -4.372048      1.526353
  H      -9.063720     -4.639930      2.306552
  H      -8.533860     -3.075031      4.040461
  H      -7.075081     -3.157803      5.039624
  H      -6.957637     -2.717486      3.315578
  H      -3.929682     -6.993620      9.339407
  H      -2.564829     -5.751374      9.533844
  H      -3.916985     -7.117372      5.889834
  H      -2.770474     -8.383872      6.339502
  H      -4.260738     -8.168810      7.286803
  H      -0.996774     -5.461992      7.813449
  H      -0.966116     -6.615700      6.489050
  H       0.042463     -4.722361      5.264502
  H      -0.228541     -3.560766      6.564551
  H      -0.880409     -3.247482      4.934838
  H      -3.790375     -4.085266      7.074564
  H      -2.287204     -3.604171      7.853467
  H      -2.832242     -2.773914      6.404112
  N      -4.725014     -3.090813      5.008234
  H      -5.008411     -2.364127      5.669410
85
Coordinates from ORCA-job orca E -5421.269994907323
  N      -3.740757     -3.243203      2.317344
  C      -3.719588     -4.002284      1.048171
  C      -2.996594     -5.318677      1.242217
  N      -3.615819     -6.033334      2.380030
  C      -4.826478     -6.788177      1.992216
  C      -5.792665     -6.718486      3.159158
  N      -5.951338     -5.305220      3.536765
  Mo     -4.275032     -4.299733      3.893213
  N      -2.717816     -5.133304      4.846623
  C      -1.833215     -5.976989      4.017572
  C      -2.652423     -6.870678      3.117450
  H      -1.197582     -6.611172      4.648440
  H      -1.145047     -5.346392      3.424662
  H      -3.225929     -7.578860      3.729929
  H      -2.017895     -7.449313      2.425010
  H      -6.752805     -7.162556      2.882309
  H      -5.413549     -7.309725      4.011218
  H      -5.285187     -6.295792      1.123253
  H      -4.563243     -7.823225      1.710015
  H      -3.203021     -3.432944      0.262740
  H      -4.751576     -4.168005      0.692915
  H      -1.945674     -5.118071      1.488811
  H      -3.025523     -5.938299      0.328198
  C      -1.361596      0.264938      0.397685
  C      -1.238556     -0.405387      1.552218
  C      -0.413576      0.131553      2.694867
  C      -1.872991     -1.772347      1.736366
  C      -3.383300     -1.792998      2.146447
  C      -4.286044     -1.160411      1.077684
  C      -3.572953     -0.987764      3.426125
  C      -6.754887     -6.226882      6.661504
  C      -7.761169     -5.516859      6.141303
  C      -8.550711     -4.546933      6.982398
  C      -8.165530     -5.692078      4.697539
  C      -7.372228     -4.852077      3.642356
  C      -8.044443     -5.047429      2.260368
  C      -7.488296     -3.368360      3.986158
  C      -3.072941     -6.589136      8.913976
  C      -2.739959     -6.735012      7.619415
  C      -3.463674     -7.675106      6.718057
  C      -1.615040     -5.953001      7.006756
  C      -2.017983     -4.700727      6.118867
  C      -0.729826     -3.942843      5.722800
  C      -2.877859     -3.772197      7.002700
  H      -0.896690      1.247409      0.257155
  H      -1.916186     -0.148794     -0.451256
  H      -0.990508      0.198924      3.630790
  H      -0.010852      1.132114      2.469575
  H       0.433056     -0.540251      2.900174
  H      -1.329336     -2.326586      2.515948
  H      -1.761293     -2.344396      0.800891
  H      -4.075467     -0.086919      1.005460
  H      -5.341277     -1.288789      1.363541
  H      -4.136079     -1.589200      0.079642
  H      -4.627222     -0.991126      3.733274
  H      -2.956711     -1.364494      4.247845
  H      -3.284534      0.054708      3.234046
  H      -6.217630     -6.963641      6.060980
  H      -6.445946     -6.110253      7.697661
  H      -9.607151     -4.851579      7.013257
  H      -8.535592     -3.522046      6.570772
  H      -8.178849     -4.514333      8.018387
  H      -8.097516     -6.756853      4.426287
  H      -9.221787     -5.412412      4.580704
  H      -8.077483     -6.093750      1.931174
  H      -7.518626     -4.455563      1.497468
  H      -9.080542     -4.695654      2.309287
  H      -8.546564     -3.090296      3.994909
  H      -7.076238     -3.142600      4.972052
  H      -6.982203     -2.735840      3.245076
  H      -3.893013     -7.142587      9.351135
  H      -2.534399     -5.920480      9.576477
  H      -3.917337     -7.135318      5.879673
  H      -2.778865     -8.406614      6.287307
  H      -4.241280     -8.205001      7.253104
  H      -1.003834     -5.543987      7.821229
  H      -0.958429     -6.633302      6.431585
  H       0.027630     -4.604601      5.243154
  H      -0.286672     -3.516348      6.633686
  H      -0.954884     -3.107465      5.019857
  H      -3.872363     -4.172925      7.204859
  H      -2.377158     -3.659498      7.963546
  H      -2.977208     -2.759715      6.552832
  N      -4.770105     -3.078264      5.003493
  H      -5.077236     -2.358296      5.660472
85
Coordinates from ORCA-job orca E -5421.270636125134
  N      -3.743368     -3.249250      2.293382
  C      -3.739277     -4.004440      1.025054
  C      -3.025122     -5.323605      1.214729
  N      -3.636330     -6.015058      2.365352
  C      -4.851107     -6.767403      1.990480
  C      -5.796288     -6.705225      3.170581
  N      -5.959824     -5.292877      3.555732
  Mo     -4.281610     -4.285174      3.884637
  N      -2.731932     -5.117050      4.829502
  C      -1.853155     -5.967163      3.999394
  C      -2.677273     -6.856564      3.101293
  H      -1.219753     -6.608089      4.628643
  H      -1.163262     -5.342285      3.403074
  H      -3.247651     -7.566098      3.712487
  H      -2.044799     -7.436022      2.407844
  H      -6.754419     -7.162616      2.905305
  H      -5.399762     -7.290890      4.014620
  H      -5.318573     -6.272370      1.130923
  H      -4.595306     -7.799718      1.700264
  H      -3.231330     -3.441638      0.235047
  H      -4.772314     -4.169093      0.677567
  H      -1.971616     -5.129678      1.446684
  H      -3.072468     -5.953598      0.310072
  C      -1.256216      0.250410      0.456213
  C      -1.213846     -0.423472      1.605162
  C      -0.469394      0.095532      2.784612
  C      -1.857793     -1.779015      1.758786
  C      -3.383408     -1.798334      2.116201
  C      -4.258742     -1.183497      1.009488
  C      -3.607364     -0.975351      3.379924
  C      -6.719441     -6.262122      6.645767
  C      -7.740613     -5.538673      6.153058
  C      -8.518591     -4.582715      7.018448
  C      -8.177758     -5.692853      4.710822
  C      -7.387951     -4.847946      3.658756
  C      -8.049204     -5.033227      2.277016
  C      -7.507987     -3.368875      4.002317
  C      -3.081476     -6.562874      8.923320
  C      -2.741922     -6.700683      7.624187
  C      -3.437601     -7.698133      6.737868
  C      -1.620614     -5.894176      6.999364
  C      -2.023627     -4.676767      6.093231
  C      -0.727939     -3.942608      5.696568
  C      -2.867202     -3.740304      6.962723
  H      -0.785387      1.221692      0.351497
  H      -1.753225     -0.145851     -0.414759
  H      -1.117732      0.166489      3.671307
  H      -0.039131      1.083715      2.582863
  H       0.357107     -0.587513      3.046731
  H      -1.349510     -2.332305      2.559398
  H      -1.699134     -2.342704      0.834622
  H      -4.042203     -0.104216      0.920179
  H      -5.322826     -1.308505      1.276084
  H      -4.087101     -1.638916      0.017466
  H      -4.668896     -0.963321      3.660017
  H      -3.014691     -1.339694      4.228970
  H      -3.308150      0.059485      3.170790
  H      -6.196772     -6.998780      6.030278
  H      -6.386469     -6.160036      7.687351
  H      -9.579044     -4.879382      7.065959
  H      -8.508403     -3.566659      6.614835
  H      -8.127606     -4.556027      8.041380
  H      -8.123365     -6.750217      4.421676
  H      -9.237181     -5.402935      4.612308
  H      -8.075605     -6.076789      1.944588
  H      -7.515846     -4.436778      1.526125
  H      -9.088075     -4.683065      2.318703
  H      -8.571051     -3.103380      3.995456
  H      -7.108979     -3.146079      4.990612
  H      -6.994010     -2.735987      3.267957
  H      -3.885293     -7.174837      9.388829
  H      -2.557090     -5.855657      9.571340
  H      -3.901974     -7.164839      5.893784
  H      -2.709664     -8.418924      6.308775
  H      -4.216178     -8.267100      7.280030
  H      -1.002706     -5.456164      7.795884
  H      -0.955811     -6.577107      6.446851
  H       0.010491     -4.619075      5.261263
  H      -0.274478     -3.482512      6.585466
  H      -0.946651     -3.154217      4.970743
  H      -3.883877     -4.149861      7.150720
  H      -2.370325     -3.631960      7.942555
  H      -2.942835     -2.733993      6.506556
  N      -4.762337     -3.052110      4.986156
  H      -5.049461     -2.324406      5.643517
85
Coordinates from ORCA-job orca E -5421.271539464959
  N      -3.718191     -3.254012      2.307236
  C      -3.718073     -4.002227      1.035680
  C      -3.010165     -5.327006      1.219699
  N      -3.630905     -6.023502      2.365898
  C      -4.852068     -6.765522      1.983088
  C      -5.802044     -6.701281      3.159415
  N      -5.956552     -5.288908      3.548483
  Mo     -4.273004     -4.297495      3.890084
  N      -2.726362     -5.148689      4.839833
  C      -1.852167     -5.997336      4.007291
  C      -2.678505     -6.875786      3.102611
  H      -1.223207     -6.642480      4.634644
  H      -1.161872     -5.373999      3.412656
  H      -3.256488     -7.586915      3.709892
  H      -2.045635     -7.453651      2.408016
  H      -6.767160     -7.150696      2.887395
  H      -5.412847     -7.295231      4.003787
  H      -5.312449     -6.263883      1.121462
  H      -4.603878     -7.799504      1.692056
  H      -3.207918     -3.436839      0.247099
  H      -4.754363     -4.160456      0.689457
  H      -1.953685     -5.140371      1.456252
  H      -3.058264     -5.950421      0.311268
  C      -1.337545      0.252362      0.396942
  C      -1.226833     -0.394685      1.572614
  C      -0.433203      0.178580      2.727185
  C      -1.840931     -1.770045      1.769654
  C      -3.362132     -1.801883      2.140796
  C      -4.249252     -1.181715      1.045030
  C      -3.583764     -0.988569      3.410843
  C      -6.721647     -6.227377      6.666984
  C      -7.740065     -5.523196      6.154361
  C      -8.537842     -4.573145      6.994791
  C      -8.162452     -5.695415      4.715297
  C      -7.384117     -4.842900      3.660322
  C      -8.052898     -5.029959      2.280914
  C      -7.509424     -3.362108      4.005944
  C      -3.108822     -6.559525      8.899195
  C      -2.750901     -6.723236      7.624250
  C      -3.431950     -7.723904      6.728682
  C      -1.629071     -5.918007      7.019615
  C      -2.025885     -4.710080      6.109247
  C      -0.732480     -3.955820      5.732709
  C      -2.876435     -3.778324      6.959464
  H      -0.888366      1.240850      0.247819
  H      -1.872065     -0.185708     -0.457365
  H      -1.024338      0.245065      3.652819
  H      -0.050830      1.182004      2.494707
  H       0.423774     -0.473780      2.957913
  H      -1.307479     -2.302953      2.579238
  H      -1.693728     -2.354493      0.847130
  H      -4.050437     -0.106357      0.971328
  H      -5.305292     -1.321034      1.306837
  H      -4.076628     -1.613811      0.052528
  H      -4.643526     -0.986492      3.694995
  H      -2.981451     -1.355062      4.254616
  H      -3.295044      0.051109      3.208797
  H      -6.186373     -6.962310      6.075662
  H      -6.406785     -6.111896      7.703225
  H      -9.598426     -4.885932      7.027229
  H      -8.529098     -3.551492      6.584663
  H      -8.158871     -4.538819      8.020757
  H      -8.089598     -6.753661      4.434100
  H      -9.223997     -5.424763      4.609543
  H      -8.075637     -6.075219      1.945607
  H      -7.527342     -4.428354      1.525992
  H      -9.095496     -4.683420      2.332379
  H      -8.584332     -3.098526      4.017198
  H      -7.090763     -3.137189      4.996627
  H      -7.007507     -2.728453      3.252603
  H      -3.920492     -7.141419      9.335072
  H      -2.598477     -5.834908      9.545222
  H      -3.895121     -7.188279      5.885824
  H      -2.696662     -8.436883      6.300773
  H      -4.209244     -8.299948      7.261773
  H      -1.024754     -5.472117      7.823291
  H      -0.955051     -6.597329      6.478578
  H       0.024558     -4.619387      5.288158
  H      -0.295023     -3.500565      6.632117
  H      -0.955790     -3.151605      5.016239
  H      -3.889627     -4.183158      7.123318
  H      -2.394612     -3.660188      7.946389
  H      -2.937988     -2.789701      6.500924
  N      -4.741227     -3.064470      4.994152
  H      -5.024105     -2.336294      5.654442
85
Coordinates from ORCA-job orca E -5421.271699897965
  N      -3.751756     -3.243180      2.306829
  C      -3.747291     -4.003570      1.038027
  C      -3.018072     -5.317967      1.226228
  N      -3.627424     -6.028835      2.372426
  C      -4.834637     -6.793877      1.991273
  C      -5.795011     -6.721553      3.160021
  N      -5.966029     -5.305244      3.525145
  Mo     -4.293565     -4.293831      3.885322
  N      -2.738017     -5.124998      4.836580
  C      -1.846749     -5.961230      4.010331
  C      -2.657828     -6.860654      3.111437
  H      -1.202654     -6.587164      4.642434
  H      -1.168761     -5.325975      3.414224
  H      -3.224985     -7.573953      3.724172
  H      -2.017064     -7.434041      2.418934
  H      -6.751536     -7.180821      2.889119
  H      -5.406604     -7.299140      4.016115
  H      -5.295754     -6.313864      1.117282
  H      -4.567251     -7.829978      1.719964
  H      -3.246374     -3.434245      0.242637
  H      -4.785043     -4.175134      0.700290
  H      -1.965410     -5.113463      1.464180
  H      -3.052491     -5.941915      0.315750
  C      -1.303381      0.256448      0.456938
  C      -1.216972     -0.430447      1.602179
  C      -0.427528      0.077656      2.775585
  C      -1.862575     -1.787642      1.751462
  C      -3.380216     -1.795732      2.137773
  C      -4.267309     -1.153575      1.058905
  C      -3.577694     -0.989596      3.415973
  C      -6.677365     -6.157204      6.672368
  C      -7.709595     -5.477153      6.161765
  C      -8.496546     -4.505286      7.000054
  C      -8.152158     -5.694255      4.731572
  C      -7.392759     -4.869447      3.640125
  C      -8.083313     -5.100555      2.274879
  C      -7.516844     -3.379238      3.947271
  C      -3.095295     -6.608811      8.887327
  C      -2.742062     -6.732250      7.596964
  C      -3.427309     -7.701092      6.682196
  C      -1.628519     -5.910563      7.002734
  C      -2.043436     -4.684375      6.106630
  C      -0.763003     -3.925368      5.721537
  C      -2.892281     -3.760616      6.959115
  H      -0.833753      1.232399      0.346079
  H      -1.834528     -0.136141     -0.411136
  H      -1.036493      0.133554      3.688307
  H      -0.016246      1.071479      2.578511
  H       0.414289     -0.603989      3.001491
  H      -1.336578     -2.357936      2.529645
  H      -1.737179     -2.341522      0.813794
  H      -4.058748     -0.082178      0.998200
  H      -5.324425     -1.283097      1.325602
  H      -4.102674     -1.572916      0.063122
  H      -4.635629     -0.972094      3.708178
  H      -2.981038     -1.378876      4.249155
  H      -3.269933      0.047262      3.226963
  H      -6.147565     -6.903382      6.080342
  H      -6.341333     -6.007670      7.697725
  H      -9.545504     -4.824636      7.066252
  H      -8.509570     -3.493556      6.563990
  H      -8.099867     -4.441371      8.024245
  H      -8.072218     -6.762486      4.480136
  H      -9.218036     -5.433705      4.633700
  H      -8.111078     -6.153954      1.968262
  H      -7.574817     -4.519429      1.491617
  H      -9.124263     -4.756207      2.335260
  H      -8.572703     -3.109735      3.943856
  H      -7.108895     -3.124776      4.925380
  H      -7.011648     -2.768425      3.196580
  H      -3.903599     -7.199923      9.312602
  H      -2.585268     -5.915601      9.556360
  H      -3.898087     -7.161723      5.847986
  H      -2.707177     -8.401957      6.243175
  H      -4.192790     -8.274540      7.205939
  H      -1.033336     -5.479560      7.820726
  H      -0.943712     -6.571269      6.442523
  H      -0.006653     -4.578809      5.260025
  H      -0.318681     -3.485239      6.622927
  H      -0.997390     -3.109618      5.012781
  H      -3.885489     -4.148582      7.134007
  H      -2.401068     -3.640460      7.926596
  H      -2.969759     -2.777517      6.503674
  N      -4.786986     -3.070258      4.992580
  H      -5.089813     -2.349939      5.652121
85
Coordinates from ORCA-job orca E -5421.272275128526
  N      -3.754848     -3.240168      2.309405
  C      -3.758298     -3.993914      1.038907
  C      -3.026741     -5.306536      1.220428
  N      -3.628797     -6.014705      2.368338
  C      -4.834330     -6.783136      1.990675
  C      -5.789752     -6.716203      3.163455
  N      -5.967222     -5.300193      3.527868
  Mo     -4.298906     -4.287573      3.886291
  N      -2.745803     -5.113649      4.837392
  C      -1.848379     -5.940973      4.005245
  C      -2.655350     -6.842734      3.102114
  H      -1.201215     -6.569378      4.631707
  H      -1.172106     -5.298733      3.411359
  H      -3.215201     -7.564924      3.710383
  H      -2.010536     -7.407741      2.407361
  H      -6.743163     -7.184749      2.897675
  H      -5.391664     -7.290378      4.016846
  H      -5.300808     -6.304230      1.119662
  H      -4.566941     -7.817803      1.716706
  H      -3.265581     -3.423529      0.241775
  H      -4.795850     -4.169235      0.705634
  H      -1.973719     -5.100703      1.451796
  H      -3.066187     -5.929881      0.310736
  C      -1.279285      0.236835      0.437714
  C      -1.199807     -0.442724      1.588924
  C      -0.399986      0.068669      2.751586
  C      -1.857830     -1.796391      1.753744
  C      -3.375029     -1.795674      2.142957
  C      -4.258501     -1.150283      1.063053
  C      -3.565625     -0.987429      3.421358
  C      -6.663473     -6.172446      6.672871
  C      -7.701270     -5.489844      6.166592
  C      -8.488295     -4.519306      7.007811
  C      -8.149481     -5.702162      4.737848
  C      -7.396949     -4.872145      3.646496
  C      -8.086954     -5.105689      2.282363
  C      -7.531575     -3.381339      3.951864
  C      -3.109304     -6.597464      8.869052
  C      -2.748289     -6.730869      7.587503
  C      -3.417516     -7.713996      6.672166
  C      -1.636926     -5.902975      7.001272
  C      -2.056022     -4.677036      6.110024
  C      -0.776178     -3.910621      5.733926
  C      -2.925508     -3.768905      6.982827
  H      -0.797422      1.208520      0.315742
  H      -1.817162     -0.157286     -0.423747
  H      -1.005701      0.139529      3.669895
  H       0.027717      1.059298      2.540284
  H       0.430266     -0.622556      2.974822
  H      -1.336876     -2.363370      2.538974
  H      -1.735675     -2.360592      0.818641
  H      -4.034675     -0.076289      0.994142
  H      -5.319286     -1.268654      1.338843
  H      -4.103085     -1.582685      0.064240
  H      -4.623987     -0.961212      3.714801
  H      -2.970844     -1.381156      4.253870
  H      -3.249005      0.046458      3.230088
  H      -6.131748     -6.916522      6.077580
  H      -6.322713     -6.026666      7.699892
  H      -9.540218     -4.841842      7.077291
  H      -8.505617     -3.507496      6.570494
  H      -8.084400     -4.453359      8.029238
  H      -8.067348     -6.768705      4.481330
  H      -9.215895     -5.442457      4.644591
  H      -8.108842     -6.159426      1.976365
  H      -7.581129     -4.521570      1.500001
  H      -9.129892     -4.766586      2.342541
  H      -8.595728     -3.120760      3.954711
  H      -7.119622     -3.126374      4.929283
  H      -7.032774     -2.765991      3.190967
  H      -3.913759     -7.197266      9.294459
  H      -2.608482     -5.892575      9.534519
  H      -3.891492     -7.173909      5.840750
  H      -2.683898     -8.408081      6.233574
  H      -4.181918     -8.299383      7.194016
  H      -1.047425     -5.467722      7.821141
  H      -0.946942     -6.558306      6.445587
  H      -0.019338     -4.561658      5.286249
  H      -0.337433     -3.459902      6.634532
  H      -1.009908     -3.109085      5.022509
  H      -3.928776     -4.191977      7.161210
  H      -2.436108     -3.659631      7.959826
  H      -3.023014     -2.760558      6.537035
  N      -4.795862     -3.065345      4.993309
  H      -5.095487     -2.346103      5.654056
85
Coordinates from ORCA-job orca E -5421.272089744690
  N      -3.745392     -3.241817      2.310004
  C      -3.755906     -3.992240      1.038866
  C      -3.029321     -5.307075      1.216613
  N      -3.630809     -6.011038      2.367308
  C      -4.839658     -6.775812      1.992039
  C      -5.789497     -6.711553      3.168299
  N      -5.965213     -5.296668      3.537184
  Mo     -4.293724     -4.287261      3.890721
  N      -2.740107     -5.120767      4.838335
  C      -1.848716     -5.948610      4.000265
  C      -2.658818     -6.844318      3.096787
  H      -1.202819     -6.580442      4.623807
  H      -1.174124     -5.306185      3.405830
  H      -3.218863     -7.568325      3.703247
  H      -2.017762     -7.406576      2.397513
  H      -6.746018     -7.179325      2.904160
  H      -5.389994     -7.287570      4.019452
  H      -5.306302     -6.292511      1.124145
  H      -4.575592     -7.809539      1.714562
  H      -3.264152     -3.421616      0.242915
  H      -4.795140     -4.162320      0.709529
  H      -1.974744     -5.105034      1.445029
  H      -3.074458     -5.932694      0.309317
  C      -1.302996      0.244805      0.419767
  C      -1.210008     -0.425247      1.579390
  C      -0.408449      0.107260      2.738404
  C      -1.853963     -1.787677      1.756664
  C      -3.370992     -1.796286      2.145119
  C      -4.257489     -1.158909      1.060624
  C      -3.566467     -0.989164      3.423020
  C      -6.684746     -6.145162      6.683686
  C      -7.714709     -5.468017      6.162501
  C      -8.512578     -4.500624      6.981024
  C      -8.150586     -5.692980      4.736759
  C      -7.394026     -4.867692      3.648170
  C      -8.075803     -5.110609      2.286111
  C      -7.527072     -3.378170      3.940925
  C      -3.095923     -6.641187      8.898964
  C      -2.742690     -6.749152      7.600935
  C      -3.411767     -7.736256      6.688975
  C      -1.634775     -5.913704      7.005468
  C      -2.049912     -4.690892      6.114910
  C      -0.766590     -3.920208      5.744661
  C      -2.910653     -3.780356      6.984214
  H      -0.832440      1.223174      0.288734
  H      -1.843475     -0.163994     -0.438192
  H      -1.003964      0.170975      3.660925
  H       0.001293      1.103796      2.522549
  H       0.431171     -0.568454      2.959221
  H      -1.326317     -2.344442      2.550229
  H      -1.728017     -2.358924      0.823850
  H      -4.036946     -0.084545      0.986116
  H      -5.315985     -1.279185      1.335740
  H      -4.102834     -1.595304      0.063130
  H      -4.623381     -0.971765      3.717332
  H      -2.965596     -1.373977      4.258794
  H      -3.259591      0.046658      3.228064
  H      -6.150216     -6.891795      6.103742
  H      -6.356351     -5.996917      7.712403
  H      -9.564792     -4.826203      7.044612
  H      -8.526452     -3.500380      6.534278
  H      -8.121705     -4.420702      7.996170
  H      -8.064839     -6.759135      4.488457
  H      -9.214851     -5.440952      4.633155
  H      -8.104154     -6.165553      1.991022
  H      -7.560906     -4.540287      1.504204
  H      -9.114752     -4.763871      2.335879
  H      -8.600149     -3.120984      3.946366
  H      -7.106349     -3.116623      4.917408
  H      -7.028728     -2.768651      3.167563
  H      -3.891289     -7.270739      9.338836
  H      -2.594699     -5.938621      9.566833
  H      -3.888190     -7.193370      5.859125
  H      -2.672128     -8.427395      6.241911
  H      -4.175959     -8.330412      7.213745
  H      -1.039899     -5.477385      7.819988
  H      -0.946084     -6.568211      6.449766
  H      -0.006880     -4.567383      5.280094
  H      -0.327903     -3.482134      6.652249
  H      -1.001168     -3.101846      5.045476
  H      -3.914736     -4.192325      7.144608
  H      -2.433298     -3.672771      7.970664
  H      -2.984765     -2.780927      6.543575
  N      -4.775383     -3.060905      4.998069
  H      -5.074670     -2.340127      5.658444
85
Coordinates from ORCA-job orca E -5421.272447883109
  N      -3.750933     -3.242717      2.300031
  C      -3.761387     -3.996343      1.029790
  C      -3.031783     -5.310409      1.210383
  N      -3.632963     -6.014361      2.363162
  C      -4.839558     -6.783995      1.988595
  C      -5.792550     -6.716115      3.162465
  N      -5.972384     -5.299445      3.523963
  Mo     -4.303528     -4.285943      3.881360
  N      -2.752641     -5.119008      4.835683
  C      -1.854336     -5.941629      4.000875
  C      -2.658232     -6.842868      3.097378
  H      -1.203853     -6.567229      4.626257
  H      -1.184420     -5.296181      3.406310
  H      -3.216604     -7.567431      3.704741
  H      -2.012195     -7.404359      2.400987
  H      -6.746996     -7.187800      2.898979
  H      -5.392839     -7.286916      4.017300
  H      -5.305519     -6.306551      1.116711
  H      -4.572317     -7.818929      1.717319
  H      -3.271764     -3.426236      0.230715
  H      -4.801549     -4.169417      0.702947
  H      -1.977343     -5.105750      1.438842
  H      -3.074694     -5.937634      0.303576
  C      -1.272744      0.244007      0.456650
  C      -1.196407     -0.443047      1.603164
  C      -0.408899      0.062417      2.778650
  C      -1.849891     -1.797734      1.752978
  C      -3.368894     -1.798397      2.135037
  C      -4.249194     -1.151747      1.051071
  C      -3.562907     -0.991740      3.413616
  C      -6.640277     -6.138302      6.681764
  C      -7.683615     -5.464006      6.175279
  C      -8.469033     -4.489405      7.009186
  C      -8.144186     -5.695814      4.752779
  C      -7.404019     -4.875707      3.646574
  C      -8.102941     -5.126371      2.291795
  C      -7.538255     -3.383177      3.931727
  C      -3.109817     -6.620345      8.867297
  C      -2.743854     -6.745623      7.587395
  C      -3.399690     -7.740845      6.671055
  C      -1.640533     -5.899501      7.003559
  C      -2.066974     -4.681645      6.111633
  C      -0.790470     -3.891496      5.741992
  C      -2.939599     -3.780119      6.974551
  H      -0.797576      1.217402      0.347954
  H      -1.803842     -0.145163     -0.411990
  H      -1.019696      0.117848      3.689425
  H       0.008398      1.054505      2.583472
  H       0.426917     -0.622516      3.004747
  H      -1.329780     -2.369733      2.537251
  H      -1.723460     -2.352871      0.815181
  H      -4.029562     -0.080119      0.986178
  H      -5.307586     -1.271869      1.317278
  H      -4.088888     -1.578583      0.054511
  H      -4.620432     -0.966813      3.704744
  H      -2.968048     -1.383714      4.250101
  H      -3.248253      0.042259      3.222066
  H      -6.113690     -6.889913      6.094606
  H      -6.292359     -5.981207      7.705046
  H      -9.520142     -4.813064      7.089723
  H      -8.493060     -3.486396      6.561782
  H      -8.058566     -4.408790      8.023000
  H      -8.058200     -6.763849      4.506255
  H      -9.213725     -5.444337      4.664797
  H      -8.130674     -6.183439      2.000281
  H      -7.600647     -4.556020      1.498580
  H      -9.144146     -4.782282      2.355008
  H      -8.606603     -3.124543      3.936471
  H      -7.116936     -3.113478      4.904808
  H      -7.042169     -2.781598      3.156920
  H      -3.908423     -7.230540      9.286182
  H      -2.621526     -5.900998      9.531894
  H      -3.883330     -7.202916      5.841035
  H      -2.651337     -8.421961      6.226690
  H      -4.157159     -8.344973      7.192016
  H      -1.055745     -5.454371      7.821652
  H      -0.940507     -6.545822      6.453594
  H      -0.019503     -4.527291      5.269818
  H      -0.355182     -3.453147      6.650768
  H      -1.038355     -3.067535      5.047407
  H      -3.940280     -4.201849      7.135617
  H      -2.460025     -3.664447      7.956832
  H      -3.025803     -2.785457      6.531202
  N      -4.792340     -3.059011      4.985931
  H      -5.091876     -2.337648      5.646405
85
Coordinates from ORCA-job orca E -5421.272280516088
  N      -3.764696     -3.231967      2.311477
  C      -3.771126     -3.985055      1.039844
  C      -3.029368     -5.293138      1.218630
  N      -3.626002     -6.006926      2.368227
  C      -4.824508     -6.788261      1.990050
  C      -5.784621     -6.722100      3.159134
  N      -5.976691     -5.305031      3.510899
  Mo     -4.314993     -4.282808      3.885088
  N      -2.760389     -5.103616      4.843571
  C      -1.850492     -5.916641      4.011814
  C      -2.643370     -6.825872      3.103525
  H      -1.195228     -6.535405      4.639448
  H      -1.183563     -5.263920      3.420542
  H      -3.196739     -7.556403      3.708948
  H      -1.988721     -7.380401      2.408162
  H      -6.732903     -7.202506      2.894846
  H      -5.382859     -7.285435      4.018643
  H      -5.290886     -6.319818      1.112806
  H      -4.547171     -7.822995      1.725617
  H      -3.286715     -3.410488      0.239536
  H      -4.810895     -4.166594      0.714242
  H      -1.976955     -5.079300      1.449391
  H      -3.064516     -5.916787      0.308767
  C      -1.284215      0.233746      0.429818
  C      -1.188630     -0.454289      1.578863
  C      -0.360099      0.045398      2.734778
  C      -1.857085     -1.805561      1.744057
  C      -3.370328     -1.791089      2.150627
  C      -4.256440     -1.125239      1.085837
  C      -3.538932     -0.992222      3.437472
  C      -6.615448     -6.099712      6.683289
  C      -7.672140     -5.449999      6.175139
  C      -8.468330     -4.476265      7.005292
  C      -8.134184     -5.705678      4.758291
  C      -7.409115     -4.890605      3.636645
  C      -8.119081     -5.160481      2.288762
  C      -7.551513     -3.392955      3.908123
  C      -3.121342     -6.655730      8.860132
  C      -2.753012     -6.758157      7.574047
  C      -3.402684     -7.735785      6.640695
  C      -1.652960     -5.901303      7.004357
  C      -2.082251     -4.671400      6.123337
  C      -0.810276     -3.895305      5.761796
  C      -2.956015     -3.777924      6.994372
  H      -0.795149      1.204722      0.304791
  H      -1.843587     -0.152648     -0.427501
  H      -0.945451      0.116411      3.669042
  H       0.071172      1.036670      2.521828
  H       0.468093     -0.656890      2.937911
  H      -1.330416     -2.383920      2.519577
  H      -1.755712     -2.364914      0.802042
  H      -4.023661     -0.056102      1.027820
  H      -5.314865     -1.234864      1.365887
  H      -4.113056     -1.544978      0.083953
  H      -4.593828     -0.958784      3.741543
  H      -2.940737     -1.400216      4.260393
  H      -3.213169      0.039932      3.253532
  H      -6.076907     -6.847320      6.100004
  H      -6.265248     -5.923634      7.700147
  H      -9.509666     -4.819210      7.099349
  H      -8.515181     -3.473573      6.544909
  H      -8.051399     -4.378705      8.020188
  H      -8.032402     -6.775846      4.526940
  H      -9.207028     -5.469523      4.672317
  H      -8.140789     -6.221686      2.006844
  H      -7.630397     -4.591448      1.482350
  H      -9.163754     -4.824362      2.360709
  H      -8.611189     -3.134870      3.906856
  H      -7.138417     -3.110875      4.875212
  H      -7.056524     -2.798009      3.135586
  H      -3.916897     -7.275165      9.272433
  H      -2.636984     -5.953796      9.539919
  H      -3.887497     -7.192288      5.817573
  H      -2.657296     -8.406764      6.189910
  H      -4.155144     -8.343507      7.152018
  H      -1.077597     -5.467717      7.834824
  H      -0.944114     -6.535777      6.443701
  H      -0.052699     -4.534119      5.313131
  H      -0.375055     -3.451723      6.666086
  H      -1.047349     -3.093247      5.058626
  H      -3.951122     -4.204870      7.169491
  H      -2.465212     -3.666000      7.969138
  H      -3.062183     -2.776532      6.551757
  N      -4.825506     -3.064574      4.990417
  H      -5.135291     -2.349372      5.651168
85
Coordinates from ORCA-job orca E -5421.272688348889
  N      -3.769089     -3.235902      2.309155
  C      -3.785276     -3.988184      1.038157
  C      -3.042036     -5.295764      1.210670
  N      -3.630458     -6.008660      2.363132
  C      -4.829621     -6.790738      1.992092
  C      -5.782717     -6.724086      3.166361
  N      -5.973417     -5.306216      3.516893
  Mo     -4.312593     -4.285005      3.884279
  N      -2.754251     -5.104647      4.831100
  C      -1.847936     -5.916069      3.993594
  C      -2.644324     -6.826521      3.091761
  H      -1.188175     -6.534876      4.616327
  H      -1.186198     -5.261929      3.398028
  H      -3.191806     -7.558302      3.699561
  H      -1.993959     -7.379682      2.392970
  H      -6.732691     -7.205517      2.907113
  H      -5.376831     -7.286620      4.024026
  H      -5.300365     -6.322782      1.117604
  H      -4.553638     -7.825078      1.726550
  H      -3.309364     -3.413106      0.234565
  H      -4.826541     -4.171458      0.721361
  H      -1.988890     -5.081555      1.434262
  H      -3.083238     -5.919631      0.301762
  C      -1.263006      0.235653      0.464385
  C      -1.187244     -0.461870      1.605288
  C      -0.379865      0.022944      2.775442
  C      -1.858723     -1.809878      1.751299
  C      -3.373663     -1.795907      2.149516
  C      -4.254803     -1.133097      1.077727
  C      -3.548236     -0.996013      3.435348
  C      -6.633853     -6.089701      6.699268
  C      -7.680406     -5.439354      6.177864
  C      -8.477616     -4.458933      6.989100
  C      -8.133475     -5.703020      4.763042
  C      -7.406069     -4.892604      3.642372
  C      -8.110749     -5.171027      2.296015
  C      -7.549195     -3.394863      3.903709
  C      -3.103242     -6.640457      8.854976
  C      -2.741265     -6.748283      7.567907
  C      -3.395340     -7.732206      6.643926
  C      -1.641912     -5.896327      6.991093
  C      -2.073365     -4.670109      6.108368
  C      -0.800640     -3.881370      5.745220
  C      -2.953356     -3.777540      6.979593
  H      -0.772102      1.203615      0.356837
  H      -1.807339     -0.139950     -0.402348
  H      -0.981015      0.080630      3.694802
  H       0.053050      1.011887      2.582419
  H       0.445809     -0.677553      2.985097
  H      -1.339083     -2.394862      2.525003
  H      -1.750210     -2.359825      0.806694
  H      -4.015799     -0.062245      1.011934
  H      -5.314861     -1.236917      1.358538
  H      -4.112257     -1.563105      0.076171
  H      -4.603750     -0.962247      3.735241
  H      -2.952684     -1.401957      4.263043
  H      -3.222479      0.035960      3.250095
  H      -6.094859     -6.842252      6.128098
  H      -6.292711     -5.909763      7.717474
  H      -9.523383     -4.798478      7.075399
  H      -8.513691     -3.462068      6.520089
  H      -8.069138     -4.353066      8.002654
  H      -8.032073     -6.774110      4.536908
  H      -9.204255     -5.468452      4.670322
  H      -8.136125     -6.233138      2.023368
  H      -7.616354     -4.612302      1.489694
  H      -9.152719     -4.830750      2.359583
  H      -8.618575     -3.140063      3.910723
  H      -7.125004     -3.107795      4.869021
  H      -7.059215     -2.802718      3.115309
  H      -3.895621     -7.264227      9.277264
  H      -2.614752     -5.935434      9.528462
  H      -3.883973     -7.192035      5.819871
  H      -2.650674     -8.406095      6.193746
  H      -4.146919     -8.337729      7.161871
  H      -1.061268     -5.460605      7.816846
  H      -0.937674     -6.533021      6.433149
  H      -0.034062     -4.514488      5.280879
  H      -0.366085     -3.443530      6.653866
  H      -1.046531     -3.064819      5.050917
  H      -3.947381     -4.208912      7.149918
  H      -2.468740     -3.662324      7.955790
  H      -3.058730     -2.776545      6.539489
  N      -4.811491     -3.068889      4.996031
  H      -5.122543     -2.355646      5.658309
85
Coordinates from ORCA-job orca E -5421.272466043793
  N      -3.764175     -3.232981      2.303827
  C      -3.782168     -3.981906      1.031498
  C      -3.042354     -5.290374      1.205108
  N      -3.631540     -5.997216      2.361819
  C      -4.830010     -6.782625      1.991589
  C      -5.782365     -6.719955      3.166035
  N      -5.981950     -5.303186      3.515405
  Mo     -4.322030     -4.277331      3.883742
  N      -2.768913     -5.100742      4.843810
  C      -1.855610     -5.901923      4.001579
  C      -2.643078     -6.812615      3.091167
  H      -1.193846     -6.519684      4.622382
  H      -1.197275     -5.238608      3.411342
  H      -3.188449     -7.551776      3.692417
  H      -1.987152     -7.356537      2.390392
  H      -6.729729     -7.208755      2.909302
  H      -5.372177     -7.277075      4.024850
  H      -5.300891     -6.314634      1.117582
  H      -4.551783     -7.815810      1.725785
  H      -3.303853     -3.406348      0.230182
  H      -4.824080     -4.161163      0.713898
  H      -1.988270     -5.077516      1.427463
  H      -3.086314     -5.919423      0.299704
  C      -1.264899      0.232903      0.438012
  C      -1.182232     -0.458327      1.584570
  C      -0.365278      0.035666      2.747460
  C      -1.853127     -1.808341      1.742386
  C      -3.367255     -1.793185      2.145025
  C      -4.251224     -1.129123      1.075325
  C      -3.536650     -0.995346      3.431804
  C      -6.587934     -6.070411      6.685943
  C      -7.652516     -5.424260      6.181986
  C      -8.441297     -4.443238      7.004843
  C      -8.132487     -5.695708      4.771984
  C      -7.415712     -4.895144      3.637669
  C      -8.126495     -5.190313      2.299687
  C      -7.560426     -3.396494      3.881330
  C      -3.124819     -6.678585      8.856159
  C      -2.751044     -6.776343      7.573235
  C      -3.383609     -7.771827      6.640300
  C      -1.659857     -5.904044      7.006734
  C      -2.096210     -4.677765      6.131900
  C      -0.827738     -3.871393      5.778322
  C      -2.976697     -3.799225      7.012323
  H      -0.774550      1.202134      0.321952
  H      -1.815992     -0.148984     -0.423563
  H      -0.957947      0.097606      3.672610
  H       0.066833      1.025530      2.546026
  H       0.460310     -0.663933      2.954362
  H      -1.330152     -2.389223      2.519713
  H      -1.747924     -2.363954      0.799252
  H      -4.016302     -0.060574      1.014427
  H      -5.308665     -1.236043      1.352641
  H      -4.109212     -1.552196      0.074014
  H      -4.590993     -0.959931      3.734380
  H      -2.938370     -1.401457      4.258561
  H      -3.209610      0.035438      3.245429
  H      -6.057875     -6.827285      6.105582
  H      -6.224309     -5.887264      7.701964
  H      -9.482410     -4.783225      7.122757
  H      -8.498559     -3.462676      6.527909
  H      -8.011813     -4.320275      8.001362
  H      -8.035511     -6.768234      4.547376
  H      -9.206060     -5.459917      4.692460
  H      -8.156509     -6.254925      2.041152
  H      -7.634626     -4.644702      1.484499
  H      -9.166116     -4.846958      2.362965
  H      -8.626224     -3.144425      3.875408
  H      -7.144199     -3.096798      4.843566
  H      -7.064257     -2.814855      3.094659
  H      -3.911852     -7.317787      9.266201
  H      -2.654374     -5.960401      9.534568
  H      -3.878144     -7.228190      5.820972
  H      -2.619134     -8.428133      6.179830
  H      -4.129613     -8.402515      7.150469
  H      -1.087793     -5.462253      7.835181
  H      -0.945566     -6.530070      6.451268
  H      -0.053852     -4.490772      5.288164
  H      -0.395424     -3.451398      6.698085
  H      -1.082883     -3.033298      5.102970
  H      -3.975705     -4.229412      7.156298
  H      -2.507348     -3.700950      8.007778
  H      -3.060988     -2.794643      6.589113
  N      -4.825227     -3.052323      4.985238
  H      -5.132236     -2.334158      5.645884
85
Coordinates from ORCA-job orca E -5421.272850908127
  N      -3.768541     -3.233629      2.301848
  C      -3.785445     -3.985056      1.030220
  C      -3.041885     -5.292813      1.204075
  N      -3.630877     -6.003134      2.359878
  C      -4.828777     -6.789344      1.989779
  C      -5.782703     -6.723586      3.163296
  N      -5.980859     -5.305324      3.508676
  Mo     -4.321789     -4.279819      3.879597
  N      -2.766561     -5.102510      4.835901
  C      -1.853641     -5.905285      3.997564
  C      -2.642085     -6.817960      3.091314
  H      -1.190434     -6.519769      4.620429
  H      -1.197022     -5.245283      3.404441
  H      -3.187536     -7.554171      3.696431
  H      -1.986151     -7.365316      2.392767
  H      -6.730346     -7.211670      2.905786
  H      -5.374227     -7.280443      4.023553
  H      -5.299393     -6.323838      1.113820
  H      -4.550169     -7.823523      1.727043
  H      -3.310265     -3.409293      0.226139
  H      -4.827671     -4.168381      0.714882
  H      -1.988135     -5.077817      1.427271
  H      -3.083169     -5.919795      0.297162
  C      -1.259814      0.238129      0.464264
  C      -1.180345     -0.464146      1.603541
  C      -0.367394      0.015891      2.775761
  C      -1.853674     -1.812060      1.745486
  C      -3.368632     -1.794545      2.144006
  C      -4.247909     -1.126049      1.072734
  C      -3.541010     -0.997094      3.431455
  C      -6.591271     -6.053767      6.698836
  C      -7.653315     -5.415345      6.186159
  C      -8.447933     -4.432070      7.001047
  C      -8.126306     -5.698032      4.778229
  C      -7.415599     -4.899033      3.638711
  C      -8.133006     -5.198164      2.303602
  C      -7.562355     -3.398591      3.878187
  C      -3.112053     -6.676632      8.852322
  C      -2.744258     -6.768880      7.565015
  C      -3.381706     -7.758932      6.633047
  C      -1.653804     -5.895891      6.996669
  C      -2.093169     -4.671148      6.118976
  C      -0.825520     -3.867507      5.765608
  C      -2.980789     -3.791718      6.991240
  H      -0.768831      1.206465      0.360220
  H      -1.809071     -0.133367     -0.403419
  H      -0.963504      0.070118      3.698455
  H       0.064279      1.005634      2.586089
  H       0.458613     -0.686961      2.980346
  H      -1.333428     -2.401569      2.517818
  H      -1.748425     -2.358685      0.798058
  H      -4.009080     -0.057976      1.011561
  H      -5.305984     -1.228262      1.348538
  H      -4.105256     -1.550100      0.071987
  H      -4.595688     -0.961686      3.731027
  H      -2.945658     -1.405861      4.259451
  H      -3.213699      0.034373      3.247824
  H      -6.055152     -6.811394      6.128010
  H      -6.235454     -5.861442      7.712596
  H      -9.489159     -4.777440      7.109343
  H      -8.502900     -3.443283      6.522090
  H      -8.023233     -4.309822      8.005630
  H      -8.020624     -6.770942      4.561532
  H      -9.201061     -5.470840      4.696131
  H      -8.162618     -6.264142      2.047366
  H      -7.646099     -4.653101      1.483427
  H      -9.173869     -4.855266      2.372364
  H      -8.631848     -3.146615      3.884258
  H      -7.134250     -3.094083      4.837066
  H      -7.075619     -2.819973      3.079557
  H      -3.897325     -7.314196      9.266539
  H      -2.637172     -5.964906      9.531134
  H      -3.879054     -7.219477      5.812846
  H      -2.622925     -8.416539      6.175830
  H      -4.124615     -8.384455      7.146069
  H      -1.081196     -5.455562      7.825576
  H      -0.938306     -6.520493      6.440027
  H      -0.053770     -4.489211      5.291614
  H      -0.393968     -3.437663      6.679555
  H      -1.078083     -3.043007      5.082006
  H      -3.973039     -4.234020      7.154777
  H      -2.499090     -3.676160      7.971131
  H      -3.090915     -2.791707      6.556314
  N      -4.825145     -3.060022      4.986146
  H      -5.136934     -2.345135      5.647700
85
Coordinates from ORCA-job orca E -5421.272825125990
  N      -3.790363     -3.229151      2.310293
  C      -3.812924     -3.976765      1.037141
  C      -3.056509     -5.277466      1.200674
  N      -3.629440     -5.995694      2.356631
  C      -4.820305     -6.793772      1.991453
  C      -5.769966     -6.734208      3.168647
  N      -5.979557     -5.316959      3.509870
  Mo     -4.328788     -4.281762      3.883623
  N      -2.762906     -5.085733      4.826749
  C      -1.844633     -5.879425      3.983410
  C      -2.627967     -6.800126      3.078734
  H      -1.172983     -6.489681      4.602133
  H      -1.194722     -5.211113      3.389203
  H      -3.160764     -7.544734      3.683628
  H      -1.969783     -7.338052      2.375096
  H      -6.713126     -7.232386      2.917479
  H      -5.351570     -7.284854      4.027798
  H      -5.298573     -6.334652      1.116648
  H      -4.533286     -7.825758      1.729379
  H      -3.350573     -3.395260      0.231054
  H      -4.855230     -4.169027      0.729857
  H      -2.004175     -5.053152      1.416763
  H      -3.098604     -5.901609      0.292176
  C      -1.238255      0.227121      0.481010
  C      -1.170733     -0.487250      1.612248
  C      -0.346554     -0.033288      2.782113
  C      -1.865905     -1.825803      1.745027
  C      -3.377260     -1.794202      2.158522
  C      -4.256269     -1.109711      1.100280
  C      -3.530031     -1.003425      3.452281
  C      -6.599108     -6.019085      6.717850
  C      -7.659950     -5.401563      6.188662
  C      -8.467160     -4.414511      6.979568
  C      -8.119938     -5.709067      4.787136
  C      -7.415179     -4.917644      3.639166
  C      -8.133685     -5.236053      2.309631
  C      -7.568033     -3.414052      3.862447
  C      -3.111035     -6.664060      8.831530
  C      -2.743265     -6.761914      7.547584
  C      -3.381848     -7.748143      6.615200
  C      -1.652541     -5.891192      6.982493
  C      -2.091608     -4.658858      6.111219
  C      -0.823626     -3.857805      5.761102
  C      -2.978583     -3.781068      6.989884
  H      -0.728273      1.187570      0.382622
  H      -1.793909     -0.127295     -0.386899
  H      -0.941645      0.024001      3.707708
  H       0.107476      0.950731      2.598158
  H       0.464411     -0.754487      2.975364
  H      -1.349778     -2.430784      2.504498
  H      -1.776365     -2.362733      0.790814
  H      -3.995452     -0.043504      1.038106
  H      -5.316720     -1.193709      1.391597
  H      -4.132704     -1.537237      0.094808
  H      -4.582983     -0.957582      3.761288
  H      -2.935032     -1.424825      4.271085
  H      -3.189868      0.024677      3.273395
  H      -6.050137     -6.776335      6.163898
  H      -6.254809     -5.807888      7.727408
  H      -9.503570     -4.771954      7.091188
  H      -8.529904     -3.434831      6.481121
  H      -8.048913     -4.269121      7.982511
  H      -8.001417     -6.782812      4.587346
  H      -9.195117     -5.495344      4.698225
  H      -8.161892     -6.305551      2.068467
  H      -7.650694     -4.700618      1.480314
  H      -9.175531     -4.894485      2.376946
  H      -8.633947     -3.162254      3.859251
  H      -7.148872     -3.100078      4.817651
  H      -7.076782     -2.843032      3.064118
  H      -3.897072     -7.296096      9.242900
  H      -2.635959     -5.954107      9.510224
  H      -3.881949     -7.207352      5.798332
  H      -2.626769     -8.404706      6.155220
  H      -4.123454     -8.370842      7.128200
  H      -1.080408     -5.457698      7.815127
  H      -0.936708     -6.513008      6.420344
  H      -0.055234     -4.478436      5.284310
  H      -0.390254     -3.434296      6.677289
  H      -1.075042     -3.030472      5.082644
  H      -3.968920     -4.220806      7.151014
  H      -2.499029     -3.670296      7.972070
  H      -3.086752     -2.777933      6.559890
  N      -4.842325     -3.074590      4.998129
  H      -5.167091     -2.369081      5.661288
85
Coordinates from ORCA-job orca E -5421.273012235617
  N      -3.790803     -3.227488      2.304678
  C      -3.813604     -3.976237      1.031922
  C      -3.056501     -5.277098      1.197087
  N      -3.630413     -5.994513      2.354766
  C      -4.820433     -6.794873      1.990495
  C      -5.771610     -6.733671      3.166543
  N      -5.984552     -5.315447      3.502246
  Mo     -4.334791     -4.278190      3.879263
  N      -2.770978     -5.085854      4.828336
  C      -1.849002     -5.873836      3.984919
  C      -2.627834     -6.796663      3.079685
  H      -1.174287     -6.480146      4.603766
  H      -1.203505     -5.202348      3.391021
  H      -3.159753     -7.542146      3.684594
  H      -1.966875     -7.332765      2.377329
  H      -6.713857     -7.234524      2.915660
  H      -5.353621     -7.280780      4.028551
  H      -5.298080     -6.337915      1.114010
  H      -4.531912     -7.827259      1.731369
  H      -3.352195     -3.394753      0.224476
  H      -4.856675     -4.169349      0.726379
  H      -2.003871     -5.052138      1.413538
  H      -3.097923     -5.902661      0.289394
  C      -1.234378      0.230174      0.489135
  C      -1.166355     -0.489726      1.617826
  C      -0.341695     -0.042087      2.792459
  C      -1.862636     -1.827870      1.743481
  C      -3.374691     -1.793290      2.153761
  C      -4.250227     -1.105573      1.093221
  C      -3.529521     -1.003673      3.448238
  C      -6.569934     -5.998469      6.717329
  C      -7.640436     -5.385934      6.194139
  C      -8.442419     -4.392186      6.986951
  C      -8.114435     -5.705788      4.796571
  C      -7.421481     -4.921587      3.636197
  C      -8.147857     -5.255231      2.314405
  C      -7.578901     -3.416104      3.844689
  C      -3.112380     -6.685123      8.829598
  C      -2.743506     -6.770453      7.543797
  C      -3.372897     -7.759492      6.606993
  C      -1.658852     -5.888772      6.984072
  C      -2.103634     -4.658821      6.114929
  C      -0.839922     -3.847952      5.769518
  C      -2.997621     -3.790228      6.993366
  H      -0.724466      1.190752      0.396230
  H      -1.791038     -0.119488     -0.381754
  H      -0.934944      0.008728      3.718086
  H       0.109201      0.942738      2.615566
  H       0.470850     -0.763386      2.982276
  H      -1.347827     -2.437453      2.502074
  H      -1.773154     -2.361326      0.786774
  H      -3.988300     -0.040713      1.031629
  H      -5.309695     -1.186645      1.380944
  H      -4.125777     -1.532084      0.088743
  H      -4.582545     -0.957395      3.754344
  H      -2.936418     -1.426941      4.269005
  H      -3.188920      0.024664      3.271258
  H      -6.025111     -6.761644      6.163006
  H      -6.213931     -5.778381      7.723944
  H      -9.477490     -4.750365      7.114020
  H      -8.516026     -3.418168      6.480930
  H      -8.011081     -4.235359      7.983298
  H      -7.993172     -6.781597      4.602309
  H      -9.192182     -5.496111      4.715061
  H      -8.178916     -6.327385      2.085214
  H      -7.669277     -4.730010      1.476286
  H      -9.188451     -4.911920      2.383824
  H      -8.647758     -3.167899      3.846949
  H      -7.152627     -3.089278      4.794368
  H      -7.094967     -2.852254      3.034090
  H      -3.891494     -7.332187      9.241074
  H      -2.643719     -5.974703      9.512564
  H      -3.879405     -7.221494      5.791908
  H      -2.610539     -8.405899      6.144117
  H      -4.107304     -8.393392      7.117790
  H      -1.091486     -5.452955      7.818895
  H      -0.937777     -6.503476      6.423539
  H      -0.067946     -4.460947      5.286372
  H      -0.407931     -3.429626      6.688575
  H      -1.096529     -3.015540      5.097504
  H      -3.983895     -4.240474      7.157627
  H      -2.515143     -3.675202      7.972380
  H      -3.118506     -2.788097      6.563756
  N      -4.849602     -3.068545      4.991560
  H      -5.174552     -2.361820      5.654522
85
Coordinates from ORCA-job orca E -5421.273100814526
  N      -3.799885     -3.226876      2.294749
  C      -3.822395     -3.974041      1.021063
  C      -3.062295     -5.273809      1.185671
  N      -3.632054     -5.989395      2.347646
  C      -4.821111     -6.794547      1.988007
  C      -5.768098     -6.737705      3.167618
  N      -5.988441     -5.319917      3.501654
  Mo     -4.341199     -4.275790      3.873937
  N      -2.772979     -5.079093      4.820923
  C      -1.848644     -5.861468      3.975436
  C      -2.623938     -6.787738      3.071230
  H      -1.169333     -6.463640      4.593090
  H      -1.209143     -5.186774      3.380469
  H      -3.150009     -7.536968      3.676960
  H      -1.960974     -7.319084      2.367067
  H      -6.708181     -7.245861      2.921128
  H      -5.343773     -7.281134      4.028920
  H      -5.303238     -6.338181      1.113713
  H      -4.530328     -7.825781      1.727713
  H      -3.363579     -3.390839      0.213175
  H      -4.865596     -4.169605      0.716783
  H      -2.009242     -5.045964      1.398897
  H      -3.104874     -5.902266      0.280008
  C      -1.218075      0.236223      0.518540
  C      -1.159811     -0.499129      1.637713
  C      -0.338595     -0.072615      2.823704
  C      -1.864696     -1.833589      1.742035
  C      -3.378104     -1.794116      2.147272
  C      -4.246170     -1.099090      1.084315
  C      -3.535336     -1.006176      3.442652
  C      -6.553682     -5.958020      6.730072
  C      -7.631115     -5.360321      6.202996
  C      -8.439419     -4.364625      6.987568
  C      -8.109069     -5.702891      4.812040
  C      -7.427031     -4.932190      3.637398
  C      -8.160915     -5.287392      2.326061
  C      -7.586512     -3.424693      3.821907
  C      -3.103845     -6.699604      8.827289
  C      -2.739362     -6.776811      7.537743
  C      -3.364324     -7.771301      6.602827
  C      -1.660307     -5.885515      6.975624
  C      -2.108406     -4.654615      6.110025
  C      -0.844792     -3.836498      5.771682
  C      -3.005640     -3.791973      6.990223
  H      -0.703024      1.194430      0.442505
  H      -1.772969     -0.097789     -0.359990
  H      -0.935604     -0.032004      3.746744
  H       0.117714      0.911459      2.663383
  H       0.469238     -0.801443      3.008161
  H      -1.355830     -2.457393      2.494244
  H      -1.776003     -2.353652      0.778128
  H      -3.979379     -0.038664      1.026669
  H      -5.304706     -1.172962      1.364562
  H      -4.121334     -1.521697      0.081871
  H      -4.588402     -0.958991      3.745773
  H      -2.944830     -1.431072      4.265692
  H      -3.193444      0.021858      3.267236
  H      -6.003882     -6.725283      6.185896
  H      -6.196879     -5.722552      7.733788
  H      -9.469226     -4.731326      7.124722
  H      -8.526361     -3.398302      6.469733
  H      -8.004360     -4.190147      7.979425
  H      -7.979176     -6.779724      4.631711
  H      -9.189137     -5.504052      4.732139
  H      -8.202100     -6.363164      2.119349
  H      -7.682467     -4.784380      1.475568
  H      -9.197815     -4.934235      2.393265
  H      -8.656770     -3.177215      3.822158
  H      -7.155788     -3.080394      4.765514
  H      -7.103512     -2.877443      2.999629
  H      -3.877425     -7.349732      9.238718
  H      -2.638922     -5.985186      9.509404
  H      -3.879185     -7.238248      5.789026
  H      -2.596298     -8.410846      6.136082
  H      -4.092100     -8.413694      7.116653
  H      -1.091329     -5.449309      7.809072
  H      -0.936663     -6.495278      6.412761
  H      -0.071313     -4.443464      5.284134
  H      -0.412285     -3.423888      6.692927
  H      -1.104054     -2.999488      5.108125
  H      -3.988509     -4.253241      7.157981
  H      -2.520213     -3.671030      7.968431
  H      -3.135769     -2.791595      6.560800
  N      -4.859822     -3.067143      4.985771
  H      -5.192254     -2.362421      5.648059
85
Coordinates from ORCA-job orca E -5421.273194427001
  N      -3.824638     -3.219674      2.290210
  C      -3.850786     -3.964530      1.015844
  C      -3.078539     -5.258184      1.173690
  N      -3.634626     -5.978382      2.339097
  C      -4.816615     -6.796576      1.986146
  C      -5.758769     -6.746396      3.169676
  N      -5.994682     -5.329523      3.496028
  Mo     -4.356224     -4.270902      3.869961
  N      -2.778748     -5.060821      4.810592
  C      -1.847200     -5.828429      3.959636
  C      -2.613794     -6.764505      3.058189
  H      -1.155752     -6.421119      4.573302
  H      -1.220617     -5.143446      3.362332
  H      -3.127115     -7.520913      3.665617
  H      -1.946559     -7.286331      2.350873
  H      -6.693346     -7.267576      2.929720
  H      -5.324811     -7.280718      4.032082
  H      -5.306891     -6.346041      1.113408
  H      -4.516661     -7.825303      1.726442
  H      -3.403360     -3.376183      0.205417
  H      -4.894545     -4.169026      0.719311
  H      -2.026276     -5.021041      1.380411
  H      -3.121899     -5.886832      0.268346
  C      -1.183933      0.229333      0.559360
  C      -1.140848     -0.529454      1.664385
  C      -0.312850     -0.142212      2.860378
  C      -1.870707     -1.852645      1.742075
  C      -3.383512     -1.792631      2.150108
  C      -4.239472     -1.077296      1.091110
  C      -3.530370     -1.010975      3.450843
  C      -6.527172     -5.908422      6.747335
  C      -7.617029     -5.335871      6.213683
  C      -8.433371     -4.330557      6.980401
  C      -8.098467     -5.714280      4.832330
  C      -7.436990     -4.956897      3.637006
  C      -8.179740     -5.346492      2.340456
  C      -7.610990     -3.445758      3.790351
  C      -3.101040     -6.702563      8.809964
  C      -2.739074     -6.771834      7.519954
  C      -3.356114     -7.771669      6.584888
  C      -1.666443     -5.871036      6.961547
  C      -2.118068     -4.638662      6.101492
  C      -0.856588     -3.814757      5.768928
  C      -3.017544     -3.783502      6.983139
  H      -0.650811      1.179618      0.502775
  H      -1.744253     -0.077244     -0.326679
  H      -0.909271     -0.111965      3.784956
  H       0.160406      0.837500      2.721700
  H       0.481962     -0.889413      3.028545
  H      -1.373065     -2.501534      2.481132
  H      -1.793006     -2.354845      0.766873
  H      -3.942285     -0.022500      1.027399
  H      -5.299023     -1.120329      1.380700
  H      -4.133650     -1.508270      0.087369
  H      -4.582626     -0.953274      3.755161
  H      -2.946104     -1.448246      4.271258
  H      -3.175756      0.013625      3.281481
  H      -5.968206     -6.681612      6.218218
  H      -6.167401     -5.644602      7.743990
  H      -9.456575     -4.709384      7.139123
  H      -8.543393     -3.380092      6.437789
  H      -7.988114     -4.121283      7.961303
  H      -7.949694     -6.792688      4.672385
  H      -9.183006     -5.535296      4.755346
  H      -8.224833     -6.428413      2.164138
  H      -7.707128     -4.867271      1.471574
  H      -9.216110     -4.988736      2.407202
  H      -8.682808     -3.204319      3.786906
  H      -7.182834     -3.076915      4.724624
  H      -7.132057     -2.913646      2.954554
  H      -3.865244     -7.365721      9.223881
  H      -2.641877     -5.985275      9.493140
  H      -3.883374     -7.246678      5.773596
  H      -2.581879     -8.399918      6.114164
  H      -4.072603     -8.424704      7.100912
  H      -1.098994     -5.436504      7.796989
  H      -0.939433     -6.473898      6.396630
  H      -0.084464     -4.413219      5.266360
  H      -0.419535     -3.418837      6.695141
  H      -1.120378     -2.964890      5.121038
  H      -3.992164     -4.255243      7.161441
  H      -2.523235     -3.654064      7.954368
  H      -3.164945     -2.787478      6.551965
  N      -4.885175     -3.070614      4.986361
  H      -5.230983     -2.373304      5.649491
85
Coordinates from ORCA-job orca E -5421.273249477732
  N      -3.836505     -3.219188      2.289316
  C      -3.865996     -3.963149      1.015103
  C      -3.088636     -5.254375      1.168550
  N      -3.635828     -5.976141      2.336594
  C      -4.815541     -6.799742      1.989752
  C      -5.753412     -6.751913      3.177122
  N      -5.993848     -5.335207      3.500923
  Mo     -4.358804     -4.271119      3.871095
  N      -2.773293     -5.052764      4.803549
  C      -1.842009     -5.815056      3.947715
  C      -2.608121     -6.756251      3.051306
  H      -1.143891     -6.404061      4.557489
  H      -1.222391     -5.126073      3.346867
  H      -3.114285     -7.514887      3.661705
  H      -1.941700     -7.275353      2.341383
  H      -6.686803     -7.277189      2.941948
  H      -5.314662     -7.283443      4.039227
  H      -5.311804     -6.350834      1.119449
  H      -4.512381     -7.827348      1.728422
  H      -3.424200     -3.372698      0.203151
  H      -4.910139     -4.171227      0.722989
  H      -2.036232     -5.013540      1.369418
  H      -3.135279     -5.883278      0.263480
  C      -1.172394      0.228882      0.579130
  C      -1.138794     -0.539831      1.677576
  C      -0.313151     -0.168874      2.879552
  C      -1.877880     -1.858712      1.742361
  C      -3.389461     -1.793845      2.152615
  C      -4.243284     -1.071205      1.097644
  C      -3.530740     -1.015405      3.455500
  C      -6.543016     -5.896250      6.760024
  C      -7.628010     -5.328305      6.214577
  C      -8.448471     -4.317325      6.967326
  C      -8.100159     -5.716450      4.833286
  C      -7.436055     -4.964749      3.637164
  C      -8.174505     -5.364918      2.341295
  C      -7.610575     -3.452015      3.781099
  C      -3.088934     -6.689026      8.802996
  C      -2.733271     -6.763718      7.512937
  C      -3.354771     -7.764725      6.582715
  C      -1.660757     -5.869880      6.950116
  C      -2.110636     -4.633418      6.094137
  C      -0.847477     -3.813312      5.761324
  C      -3.007431     -3.778250      6.981761
  H      -0.632377      1.176145      0.532470
  H      -1.730674     -0.066767     -0.311726
  H      -0.912753     -0.144792      3.801400
  H       0.167003      0.808882      2.752730
  H       0.475887     -0.922041      3.043634
  H      -1.384515     -2.517926      2.474653
  H      -1.804511     -2.351926      0.762064
  H      -3.936989     -0.020098      1.035240
  H      -5.302263     -1.105483      1.390024
  H      -4.145249     -1.500830      0.093333
  H      -4.582573     -0.955256      3.762094
  H      -2.946686     -1.456407      4.273594
  H      -3.171903      0.008219      3.287702
  H      -5.979987     -6.673212      6.240935
  H      -6.191155     -5.624080      7.757255
  H      -9.470360     -4.698285      7.127049
  H      -8.559595     -3.374342      6.413783
  H      -8.007222     -4.095126      7.946583
  H      -7.948149     -6.796484      4.680682
  H      -9.183890     -5.540744      4.749417
  H      -8.227618     -6.448550      2.178791
  H      -7.694196     -4.900623      1.469672
  H      -9.207207     -4.998875      2.397968
  H      -8.681108     -3.208743      3.769351
  H      -7.188802     -3.076509      4.715270
  H      -7.126581     -2.926146      2.944843
  H      -3.850354     -7.352327      9.223417
  H      -2.625376     -5.972349      9.483142
  H      -3.885112     -7.244231      5.771246
  H      -2.583918     -8.394868      6.111208
  H      -4.068951     -8.414361      7.103353
  H      -1.087299     -5.440256      7.784039
  H      -0.940583     -6.476102      6.380215
  H      -0.079655     -4.412729      5.255941
  H      -0.406335     -3.422871      6.688011
  H      -1.108982     -2.960919      5.117511
  H      -3.979965     -4.250575      7.162953
  H      -2.511305     -3.650602      7.953228
  H      -3.156581     -2.779678      6.553050
  N      -4.890990     -3.074129      4.990020
  H      -5.242294     -2.379953      5.653525
85
Coordinates from ORCA-job orca E -5421.273283011214
  N      -3.843086     -3.217207      2.290845
  C      -3.877515     -3.960396      1.016936
  C      -3.097428     -5.250872      1.165454
  N      -3.638189     -5.974090      2.335208
  C      -4.816248     -6.801185      1.992792
  C      -5.750906     -6.754061      3.182771
  N      -5.993656     -5.336832      3.504346
  Mo     -4.361454     -4.269171      3.872824
  N      -2.772976     -5.047566      4.802122
  C      -1.841291     -5.804317      3.941358
  C      -2.606737     -6.749548      3.048432
  H      -1.136915     -6.390470      4.547012
  H      -1.228216     -5.111380      3.337257
  H      -3.109258     -7.508825      3.661137
  H      -1.940322     -7.268117      2.338151
  H      -6.683766     -7.281554      2.950589
  H      -5.309597     -7.283122      4.044889
  H      -5.316981     -6.353505      1.124338
  H      -4.511121     -7.827856      1.729698
  H      -3.440807     -3.368728      0.203212
  H      -4.922441     -4.170712      0.729661
  H      -2.044456     -5.009095      1.361304
  H      -3.148787     -5.878646      0.259983
  C      -1.161851      0.223181      0.587087
  C      -1.132694     -0.548652      1.683097
  C      -0.304985     -0.184618      2.885161
  C      -1.879123     -1.864259      1.745421
  C      -3.390258     -1.793146      2.156078
  C      -4.241996     -1.067026      1.101732
  C      -3.527978     -1.015006      3.459648
  C      -6.546755     -5.884756      6.763685
  C      -7.632998     -5.325433      6.214183
  C      -8.461503     -4.320458      6.963162
  C      -8.100145     -5.720323      4.834066
  C      -7.436299     -4.969377      3.637418
  C      -8.171555     -5.375275      2.340887
  C      -7.613558     -3.456706      3.775641
  C      -3.083266     -6.687192      8.800940
  C      -2.730146     -6.760563      7.509278
  C      -3.352289     -7.761712      6.578441
  C      -1.657258     -5.866476      6.944894
  C      -2.108800     -4.628381      6.091750
  C      -0.846838     -3.808068      5.756631
  C      -3.004877     -3.774524      6.981693
  H      -0.616929      1.168176      0.543216
  H      -1.721644     -0.066989     -0.304031
  H      -0.906184     -0.155531      3.808044
  H       0.185081      0.790554      2.758429
  H       0.477120     -0.945542      3.049004
  H      -1.389418     -2.527257      2.476657
  H      -1.808090     -2.356470      0.764264
  H      -3.927007     -0.017126      1.035590
  H      -5.300833     -1.093647      1.398750
  H      -4.151208     -1.500838      0.096757
  H      -4.580046     -0.949650      3.765577
  H      -2.946549     -1.459415      4.278107
  H      -3.163171      0.006869      3.291993
  H      -5.977500     -6.658033      6.248041
  H      -6.199734     -5.606171      7.760718
  H      -9.479373     -4.710736      7.122752
  H      -8.578065     -3.379299      6.404528
  H      -8.025075     -4.092416      7.944182
  H      -7.944171     -6.799200      4.686997
  H      -9.184223     -5.550721      4.747972
  H      -8.225220     -6.459927      2.185560
  H      -7.687277     -4.915955      1.468359
  H      -9.204712     -5.008026      2.391728
  H      -8.684666     -3.217366      3.757292
  H      -7.198353     -3.074952      4.710210
  H      -7.128453     -2.931641      2.939480
  H      -3.844965     -7.344251      9.220040
  H      -2.617369     -5.971870      9.481506
  H      -3.885611     -7.242820      5.768089
  H      -2.581057     -8.390714      6.103594
  H      -4.063605     -8.414300      7.101527
  H      -1.080908     -5.438331      7.777949
  H      -0.939665     -6.474769      6.371690
  H      -0.079808     -4.408120      5.250322
  H      -0.404167     -3.417623      6.682890
  H      -1.108704     -2.955876      5.112853
  H      -3.978119     -4.245889      7.158190
  H      -2.511218     -3.651527      7.955490
  H      -3.150003     -2.775320      6.555971
  N      -4.895426     -3.073713      4.992354
  H      -5.243055     -2.379656      5.657503
85
Coordinates from ORCA-job orca E -5421.273298918633
  N      -3.844467     -3.219329      2.289773
  C      -3.875420     -3.961486      1.015483
  C      -3.096918     -5.252720      1.164564
  N      -3.638874     -5.976373      2.333522
  C      -4.818549     -6.800877      1.990406
  C      -5.751320     -6.756284      3.181700
  N      -5.991046     -5.340171      3.509189
  Mo     -4.358267     -4.271939      3.873131
  N      -2.766970     -5.048953      4.799028
  C      -1.838881     -5.809526      3.937864
  C      -2.608427     -6.753685      3.046513
  H      -1.135234     -6.396627      4.543350
  H      -1.225036     -5.119133      3.331931
  H      -3.112737     -7.510825      3.661075
  H      -1.944207     -7.275182      2.335912
  H      -6.685465     -7.281063      2.949150
  H      -5.309946     -7.289055      4.040858
  H      -5.320533     -6.349814      1.124414
  H      -4.514977     -7.826770      1.723489
  H      -3.435306     -3.369666      0.203833
  H      -4.919720     -4.170037      0.724623
  H      -2.043646     -5.012212      1.361055
  H      -3.148383     -5.879617      0.258532
  C      -1.164182      0.226201      0.592191
  C      -1.135246     -0.547080      1.687441
  C      -0.309375     -0.182659      2.890689
  C      -1.880601     -1.863946      1.747495
  C      -3.392431     -1.794898      2.156067
  C      -4.242678     -1.069208      1.100869
  C      -3.533595     -1.016886      3.459004
  C      -6.565203     -5.902018      6.767445
  C      -7.646169     -5.336485      6.213421
  C      -8.476122     -4.330697      6.961148
  C      -8.105638     -5.723368      4.828385
  C      -7.433579     -4.967727      3.639278
  C      -8.165558     -5.361533      2.336286
  C      -7.607765     -3.455949      3.788432
  C      -3.079711     -6.669607      8.805864
  C      -2.728900     -6.751806      7.514875
  C      -3.356159     -7.757813      6.592540
  C      -1.652662     -5.863890      6.942847
  C      -2.098949     -4.626960      6.085892
  C      -0.832673     -3.813129      5.746538
  C      -2.990082     -3.764272      6.971373
  H      -0.620369      1.172432      0.549976
  H      -1.722583     -0.064150     -0.299920
  H      -0.911246     -0.156443      3.812643
  H       0.179032      0.793679      2.766673
  H       0.473375     -0.941419      3.054524
  H      -1.391407     -2.527255      2.478810
  H      -1.807991     -2.354938      0.765730
  H      -3.926820     -0.020620      1.034867
  H      -5.301697     -1.094428      1.395867
  H      -4.151208     -1.502891      0.097156
  H      -4.585936     -0.953776      3.763543
  H      -2.952451     -1.459707      4.277655
  H      -3.170679      0.005075      3.292066
  H      -5.994711     -6.673914      6.251360
  H      -6.224316     -5.628589      7.767150
  H      -9.497302     -4.717330      7.112476
  H      -8.585722     -3.387008      6.405683
  H      -8.045385     -4.107848      7.945417
  H      -7.950473     -6.801552      4.677223
  H      -9.189608     -5.550732      4.737224
  H      -8.224163     -6.445609      2.175475
  H      -7.674558     -4.900417      1.467395
  H      -9.197492     -4.987813      2.384949
  H      -8.677657     -3.213617      3.765427
  H      -7.197965     -3.082259      4.728376
  H      -7.117408     -2.925913      2.959967
  H      -3.842779     -7.324181      9.230243
  H      -2.610385     -5.950464      9.480557
  H      -3.888401     -7.243867      5.778203
  H      -2.587992     -8.394477      6.123055
  H      -4.069792     -8.403052      7.121000
  H      -1.071053     -5.434217      7.770985
  H      -0.940776     -6.479889      6.370327
  H      -0.067647     -4.418938      5.243075
  H      -0.387693     -3.419262      6.670334
  H      -1.090653     -2.962841      5.099315
  H      -3.964758     -4.232690      7.154126
  H      -2.492818     -3.634666      7.941930
  H      -3.134115     -2.768697      6.538920
  N      -4.890481     -3.077986      4.994521
  H      -5.239012     -2.384770      5.659578
85
Coordinates from ORCA-job orca E -5421.273320203548
  N      -3.843784     -3.218465      2.289715
  C      -3.875987     -3.961548      1.015863
  C      -3.097201     -5.252920      1.164540
  N      -3.638578     -5.977610      2.333829
  C      -4.817298     -6.803739      1.991696
  C      -5.751003     -6.756853      3.182251
  N      -5.991543     -5.340092      3.505915
  Mo     -4.360776     -4.270699      3.872731
  N      -2.770297     -5.048901      4.801557
  C      -1.840431     -5.806168      3.940094
  C      -2.607347     -6.752349      3.048787
  H      -1.134353     -6.390290      4.545359
  H      -1.229877     -5.114141      3.333697
  H      -3.111733     -7.509107      3.663940
  H      -1.941489     -7.273946      2.339670
  H      -6.685159     -7.282015      2.950805
  H      -5.309780     -7.287018      4.043146
  H      -5.319353     -6.355162      1.124327
  H      -4.512453     -7.829956      1.727214
  H      -3.436892     -3.369834      0.203222
  H      -4.920889     -4.170296      0.726875
  H      -2.043541     -5.012811      1.360114
  H      -3.149622     -5.879240      0.257991
  C      -1.168547      0.227509      0.591437
  C      -1.134927     -0.548194      1.684587
  C      -0.306476     -0.186274      2.887434
  C      -1.879882     -1.864473      1.743839
  C      -3.390394     -1.794227      2.155912
  C      -4.242761     -1.066561      1.103471
  C      -3.527592     -1.017282      3.460017
  C      -6.549879     -5.885767      6.765286
  C      -7.636690     -5.327581      6.213750
  C      -8.467379     -4.321807      6.960610
  C      -8.100928     -5.721953      4.831572
  C      -7.434094     -4.968971      3.637095
  C      -8.169282     -5.368761      2.336942
  C      -7.611312     -3.457220      3.780968
  C      -3.083016     -6.679464      8.802026
  C      -2.729827     -6.756965      7.511338
  C      -3.353094     -7.762121      6.585401
  C      -1.654981     -5.865530      6.943702
  C      -2.104211     -4.627900      6.090110
  C      -0.841287     -3.809015      5.753461
  C      -2.999587     -3.771409      6.978019
  H      -0.626190      1.173814      0.550620
  H      -1.729578     -0.060686     -0.300115
  H      -0.905792     -0.162854      3.809834
  H       0.178739      0.790013      2.765960
  H       0.478510     -0.943841      3.049102
  H      -1.388857     -2.528492      2.472903
  H      -1.810385     -2.354287      0.761836
  H      -3.927596     -0.017965      1.038412
  H      -5.300889     -1.092594      1.400164
  H      -4.153121     -1.498154      0.099078
  H      -4.579322     -0.952425      3.765860
  H      -2.945759     -1.462649      4.277209
  H      -3.162666      0.004434      3.294160
  H      -5.978917     -6.657009      6.248810
  H      -6.205333     -5.606565      7.762113
  H      -9.486470     -4.712259      7.120011
  H      -8.584101     -3.382183      6.399573
  H      -8.033036     -4.091326      7.941659
  H      -7.943373     -6.800530      4.683807
  H      -9.185888     -5.552886      4.743899
  H      -8.228472     -6.453458      2.181459
  H      -7.679755     -4.911871      1.464977
  H      -9.200939     -4.995013      2.385215
  H      -8.682423     -3.218140      3.758137
  H      -7.201427     -3.078281      4.719499
  H      -7.124034     -2.928036      2.949782
  H      -3.844769     -7.339022      9.223690
  H      -2.616270     -5.961698      9.480053
  H      -3.887656     -7.247832      5.772709
  H      -2.583198     -8.394341      6.113188
  H      -4.063434     -8.411949      7.112106
  H      -1.076052     -5.436788      7.774123
  H      -0.942113     -6.479080      6.370107
  H      -0.073548     -4.412023      5.251381
  H      -0.399573     -3.413111      6.677962
  H      -1.100587     -2.959967      5.105573
  H      -3.975398     -4.241020      7.152770
  H      -2.507602     -3.648029      7.952976
  H      -3.141436     -2.772068      6.550836
  N      -4.894202     -3.074953      4.991918
  H      -5.238255     -2.379866      5.657691
85
Coordinates from ORCA-job orca E -5421.273330392241
  N      -3.846128     -3.217600      2.292348
  C      -3.879692     -3.960995      1.018502
  C      -3.100144     -5.252120      1.165454
  N      -3.639522     -5.978148      2.334667
  C      -4.817777     -6.804941      1.993591
  C      -5.751083     -6.757812      3.184677
  N      -5.991016     -5.340842      3.507857
  Mo     -4.361378     -4.270386      3.874903
  N      -2.769921     -5.048494      4.801770
  C      -1.840210     -5.803910      3.938328
  C      -2.607220     -6.751541      3.048750
  H      -1.131405     -6.386474      4.541946
  H      -1.232431     -5.110626      3.330390
  H      -3.110337     -7.507725      3.665126
  H      -1.941951     -7.273450      2.339701
  H      -6.685541     -7.282503      2.953495
  H      -5.309748     -7.287905      4.045741
  H      -5.320705     -6.356959      1.126419
  H      -4.512645     -7.831121      1.729193
  H      -3.442325     -3.369204      0.205062
  H      -4.924790     -4.170527      0.731182
  H      -2.046342     -5.012029      1.359367
  H      -3.153799     -5.877375      0.258214
  C      -1.167737      0.226056      0.593032
  C      -1.135285     -0.549643      1.686571
  C      -0.305569     -0.188668      2.888234
  C      -1.881498     -1.865232      1.746484
  C      -3.392049     -1.793661      2.158349
  C      -4.243570     -1.065732      1.105172
  C      -3.529934     -1.016404      3.462433
  C      -6.552584     -5.883906      6.763727
  C      -7.640512     -5.326676      6.212097
  C      -8.473677     -4.322242      6.959986
  C      -8.103091     -5.720676      4.828490
  C      -7.432945     -4.968736      3.635891
  C      -8.163953     -5.370037      2.334365
  C      -7.609364     -3.457102      3.777937
  C      -3.080169     -6.677711      8.802511
  C      -2.727987     -6.755692      7.511333
  C      -3.351755     -7.761718      6.587034
  C      -1.652480     -5.865803      6.942256
  C      -2.102050     -4.627839      6.089081
  C      -0.839670     -3.810392      5.749348
  C      -2.995774     -3.770703      6.977232
  H      -0.623456      1.171569      0.551405
  H      -1.729247     -0.061353     -0.298145
  H      -0.905138     -0.161194      3.811444
  H       0.183666      0.786446      2.764533
  H       0.476471     -0.949262      3.050722
  H      -1.391091     -2.529302      2.476117
  H      -1.812203     -2.355926      0.764590
  H      -3.927876     -0.017439      1.039387
  H      -5.301547     -1.090745      1.401466
  H      -4.153949     -1.498020      0.101220
  H      -4.581770     -0.951923      3.767621
  H      -2.947993     -1.461883      4.280191
  H      -3.165315      0.005756      3.296719
  H      -5.980529     -6.654232      6.245484
  H      -6.208666     -5.605291      7.761967
  H      -9.490803     -4.715066      7.121040
  H      -8.594301     -3.383968      6.397982
  H      -8.039580     -4.089451      7.941124
  H      -7.946158     -6.800186      4.680511
  H      -9.187388     -5.550448      4.738550
  H      -8.226753     -6.454635      2.182152
  H      -7.668561     -4.918385      1.464212
  H      -9.193458     -4.992743      2.376204
  H      -8.681550     -3.218660      3.754012
  H      -7.199536     -3.076621      4.717097
  H      -7.121959     -2.928425      2.945490
  H      -3.842210     -7.336153      9.224716
  H      -2.612209     -5.960699      9.479927
  H      -3.887965     -7.249612      5.773938
  H      -2.581806     -8.394187      6.115086
  H      -4.060670     -8.411853      7.115644
  H      -1.071256     -5.438205      7.771758
  H      -0.942410     -6.480958      6.367377
  H      -0.072856     -4.414649      5.247269
  H      -0.396751     -3.413243      6.672674
  H      -1.099575     -2.961950      5.099637
  H      -3.971655     -4.238773      7.154295
  H      -2.501657     -3.647836      7.950297
  H      -3.138878     -2.771445      6.549102
  N      -4.894147     -3.075488      4.995652
  H      -5.236204     -2.380471      5.662644
85
Coordinates from ORCA-job orca E -5421.273339305220
  N      -3.845355     -3.217835      2.292564
  C      -3.879285     -3.961097      1.018594
  C      -3.100060     -5.252517      1.164869
  N      -3.639070     -5.978734      2.334112
  C      -4.817798     -6.804818      1.993208
  C      -5.750547     -6.758262      3.184860
  N      -5.989554     -5.341519      3.509605
  Mo     -4.359897     -4.270736      3.875549
  N      -2.767596     -5.049338      4.801293
  C      -1.838892     -5.804829      3.936654
  C      -2.606834     -6.752426      3.047854
  H      -1.129383     -6.387336      4.539444
  H      -1.231782     -5.111616      3.327774
  H      -3.109947     -7.508045      3.664969
  H      -1.942111     -7.274977      2.338780
  H      -6.685373     -7.282437      2.953612
  H      -5.308896     -7.289230      4.045336
  H      -5.321039     -6.356022      1.126603
  H      -4.513379     -7.831003      1.727943
  H      -3.442019     -3.369444      0.204985
  H      -4.924453     -4.170544      0.731431
  H      -2.045945     -5.013088      1.357992
  H      -3.154619     -5.877261      0.257299
  C      -1.169608      0.227909      0.592850
  C      -1.136607     -0.547998      1.686341
  C      -0.308121     -0.186028      2.888647
  C      -1.881550     -1.864218      1.746239
  C      -3.392156     -1.793657      2.158055
  C      -4.244468     -1.066558      1.104698
  C      -3.530181     -1.016378      3.462087
  C      -6.557242     -5.882649      6.766040
  C      -7.644883     -5.327435      6.212181
  C      -8.481195     -4.324309      6.957313
  C      -8.103940     -5.721670      4.827840
  C      -7.431861     -4.968391      3.636714
  C      -8.161361     -5.367355      2.333583
  C      -7.608673     -3.456773      3.781089
  C      -3.079242     -6.674190      8.804346
  C      -2.728367     -6.754453      7.512523
  C      -3.353894     -7.761167      6.590289
  C      -1.651179     -5.868382      6.941309
  C      -2.098523     -4.629768      6.088410
  C      -0.834904     -3.813984      5.748548
  C      -2.990316     -3.770721      6.976816
  H      -0.626477      1.173933      0.551694
  H      -1.730602     -0.059698     -0.298597
  H      -0.908505     -0.157948      3.811177
  H       0.180692      0.789157      2.764706
  H       0.474055     -0.946400      3.052771
  H      -1.390559     -2.527762      2.476317
  H      -1.811815     -2.355036      0.764445
  H      -3.927773     -0.018261      1.036803
  H      -5.302281     -1.090441      1.402638
  H      -4.156662     -1.500838      0.100835
  H      -4.582009     -0.952718      3.767631
  H      -2.947577     -1.461509      4.279574
  H      -3.166266      0.005956      3.296197
  H      -5.983377     -6.652362      6.249293
  H      -6.216012     -5.603677      7.765080
  H      -9.498337     -4.718686      7.116746
  H      -8.602117     -3.386929      6.394025
  H      -8.049205     -4.089783      7.938765
  H      -7.945553     -6.800608      4.680164
  H      -9.188194     -5.552544      4.735818
  H      -8.224062     -6.452267      2.180424
  H      -7.664081     -4.914819      1.463929
  H      -9.191444     -4.989007      2.374756
  H      -8.680663     -3.218615      3.754218
  H      -7.202337     -3.077957      4.721973
  H      -7.119333     -2.926192      2.951108
  H      -3.842423     -7.329497      9.227658
  H      -2.609150     -5.957563      9.480483
  H      -3.889772     -7.250718      5.776271
  H      -2.584929     -8.395748      6.119350
  H      -4.063337     -8.409550      7.120676
  H      -1.066843     -5.442460      7.769470
  H      -0.944751     -6.486307      6.365108
  H      -0.068132     -4.420064      5.248233
  H      -0.392811     -3.414863      6.671558
  H      -1.093104     -2.966647      5.096871
  H      -3.967401     -4.236489      7.153883
  H      -2.495962     -3.648842      7.949879
  H      -3.131076     -2.771511      6.548221
  N      -4.892012     -3.075520      4.996287
  H      -5.232399     -2.380034      5.663675
85
Coordinates from ORCA-job orca E -5421.273348191709
  N      -3.845602     -3.217407      2.294583
  C      -3.881071     -3.959952      1.020112
  C      -3.101096     -5.251202      1.164183
  N      -3.638130     -5.978898      2.333229
  C      -4.816501     -6.805588      1.992804
  C      -5.748662     -6.760083      3.185148
  N      -5.987653     -5.343685      3.510910
  Mo     -4.359213     -4.271481      3.877020
  N      -2.765933     -5.049785      4.801015
  C      -1.837198     -5.804003      3.934762
  C      -2.604931     -6.752035      3.045994
  H      -1.126185     -6.385805      4.536428
  H      -1.231512     -5.109770      3.325340
  H      -3.107176     -7.508134      3.663427
  H      -1.940022     -7.274005      2.336582
  H      -6.683307     -7.284665      2.954278
  H      -5.305850     -7.291184      4.044959
  H      -5.320370     -6.357111      1.126475
  H      -4.511966     -7.831711      1.727405
  H      -3.445444     -3.367785      0.206120
  H      -4.926492     -4.169928      0.734308
  H      -2.046729     -5.011713      1.355774
  H      -3.156604     -5.874739      0.255845
  C      -1.173760      0.230167      0.592047
  C      -1.137865     -0.547120      1.684449
  C      -0.306591     -0.186045      2.885272
  C      -1.882687     -1.863401      1.744849
  C      -3.392524     -1.793360      2.159933
  C      -4.247032     -1.065550      1.109033
  C      -3.527366     -1.017320      3.464962
  C      -6.557262     -5.871837      6.767218
  C      -7.647341     -5.324107      6.211682
  C      -8.490393     -4.325089      6.954193
  C      -8.102968     -5.722168      4.827897
  C      -7.430110     -4.969667      3.636577
  C      -8.159036     -5.368620      2.333174
  C      -7.606284     -3.458048      3.780508
  C      -3.082417     -6.670670      8.803523
  C      -2.730746     -6.755017      7.512682
  C      -3.356817     -7.763661      6.592772
  C      -1.651413     -5.871490      6.940452
  C      -2.096333     -4.631869      6.088422
  C      -0.831384     -3.817195      5.749640
  C      -2.986396     -3.771114      6.976924
  H      -0.630665      1.176209      0.550655
  H      -1.737192     -0.056285     -0.298402
  H      -0.905141     -0.157253      3.808813
  H       0.182916      0.788643      2.760420
  H       0.474944     -0.947054      3.048063
  H      -1.390106     -2.527389      2.473444
  H      -1.815168     -2.353384      0.762594
  H      -3.929159     -0.017616      1.040072
  H      -5.304267     -1.088232      1.410003
  H      -4.162643     -1.500354      0.104867
  H      -4.578501     -0.953941      3.773202
  H      -2.943076     -1.463543      4.280285
  H      -3.163546      0.004897      3.299470
  H      -5.978525     -6.638674      6.252362
  H      -6.218964     -5.589871      7.765828
  H      -9.505317     -4.725487      7.112717
  H      -8.615922     -3.388346      6.388772
  H      -8.060850     -4.086689      7.936496
  H      -7.941241     -6.800239      4.682668
  H      -9.187613     -5.556151      4.733956
  H      -8.224712     -6.453526      2.182264
  H      -7.658767     -4.919772      1.463246
  H      -9.188167     -4.986713      2.371964
  H      -8.677766     -3.219831      3.749959
  H      -7.202752     -3.079423      4.722497
  H      -7.114466     -2.927899      2.952407
  H      -3.846799     -7.324886      9.227804
  H      -2.611771     -5.952317      9.477896
  H      -3.893451     -7.255303      5.777984
  H      -2.588221     -8.399684      6.123027
  H      -4.066300     -8.410763      7.124839
  H      -1.064671     -5.447071      7.767708
  H      -0.947313     -6.491388      6.363076
  H      -0.063832     -4.424742      5.251826
  H      -0.391473     -3.415586      6.672677
  H      -1.087691     -2.971289      5.095484
  H      -3.965345     -4.233648      7.152595
  H      -2.492512     -3.650914      7.950571
  H      -3.123374     -2.771938      6.548270
  N      -4.891802     -3.077803      4.998809
  H      -5.231108     -2.383008      5.667260
85
Coordinates from ORCA-job orca E -5421.273356048137
  N      -3.845512     -3.216722      2.297655
  C      -3.882882     -3.958848      1.022730
  C      -3.101644     -5.249744      1.164418
  N      -3.636699     -5.979196      2.333133
  C      -4.814581     -6.806710      1.993363
  C      -5.746424     -6.761417      3.186157
  N      -5.985744     -5.345154      3.511633
  Mo     -4.358672     -4.271949      3.879189
  N      -2.764566     -5.050184      4.800709
  C      -1.835439     -5.803166      3.933912
  C      -2.602441     -6.751696      3.045125
  H      -1.123260     -6.383930      4.535213
  H      -1.230870     -5.108303      3.324342
  H      -3.103664     -7.508506      3.662727
  H      -1.936904     -7.272798      2.335510
  H      -6.680724     -7.286863      2.955969
  H      -5.302348     -7.291915      4.045729
  H      -5.318684     -6.359414      1.126646
  H      -4.509832     -7.833072      1.729033
  H      -3.449693     -3.366103      0.207878
  H      -4.928690     -4.169822      0.738983
  H      -2.047029     -5.009986      1.354628
  H      -3.157708     -5.871911      0.255134
  C      -1.178634      0.232062      0.590529
  C      -1.139310     -0.546363      1.681860
  C      -0.303619     -0.186679      2.879955
  C      -1.884205     -1.862390      1.743560
  C      -3.393064     -1.792761      2.162753
  C      -4.250400     -1.063811      1.115106
  C      -3.524220     -1.018346      3.469196
  C      -6.557354     -5.860375      6.769884
  C      -7.649899     -5.320069      6.211618
  C      -8.499228     -4.322864      6.948873
  C      -8.102073     -5.722704      4.827907
  C      -7.428640     -4.970855      3.636204
  C      -8.156493     -5.370966      2.332609
  C      -7.605265     -3.458707      3.779399
  C      -3.084830     -6.670161      8.802215
  C      -2.732004     -6.757178      7.511704
  C      -3.358039     -7.766815      6.593053
  C      -1.651055     -5.875009      6.938951
  C      -2.094986     -4.633938      6.088336
  C      -0.829329     -3.819780      5.750623
  C      -2.984628     -3.772460      6.976847
  H      -0.634886      1.177642      0.548011
  H      -1.745428     -0.052966     -0.298237
  H      -0.899555     -0.155771      3.805109
  H       0.187734      0.786718      2.752841
  H       0.476627     -0.949254      3.040825
  H      -1.389713     -2.526765      2.470257
  H      -1.819351     -2.351813      0.760940
  H      -3.933448     -0.015862      1.046819
  H      -5.306830     -1.087301      1.418366
  H      -4.168114     -1.497146      0.110458
  H      -4.574501     -0.955131      3.780509
  H      -2.937970     -1.466216      4.282096
  H      -3.160661      0.004031      3.304417
  H      -5.974251     -6.625737      6.257942
  H      -6.221320     -5.574492      7.768010
  H      -9.511795     -4.728837      7.110393
  H      -8.631610     -3.391250      6.378223
  H      -8.070358     -4.075235      7.928128
  H      -7.937374     -6.801019      4.684556
  H      -9.186897     -5.558841      4.731425
  H      -8.223552     -6.456294      2.183466
  H      -7.654171     -4.924669      1.462168
  H      -9.185156     -4.987007      2.369397
  H      -8.676586     -3.220248      3.745578
  H      -7.204585     -3.080575      4.722499
  H      -7.110912     -2.928752      2.952522
  H      -3.850864     -7.321822      9.226157
  H      -2.613992     -5.951101      9.475679
  H      -3.895983     -7.260196      5.777884
  H      -2.589565     -8.402999      6.123670
  H      -4.066966     -8.413454      7.126195
  H      -1.062268     -5.452401      7.765812
  H      -0.948219     -6.495380      6.360102
  H      -0.060525     -4.428321      5.256464
  H      -0.392296     -3.414893      6.673473
  H      -1.084506     -2.976346      5.092867
  H      -3.965449     -4.232268      7.150677
  H      -2.491555     -3.654481      7.951084
  H      -3.118615     -2.772609      6.548650
  N      -4.890902     -3.079669      5.002536
  H      -5.229047     -2.385802      5.672393
85
Coordinates from ORCA-job orca E -5421.273364060464
  N      -3.842272     -3.216553      2.299187
  C      -3.880397     -3.958487      1.024012
  C      -3.099303     -5.249490      1.165013
  N      -3.634536     -5.979616      2.333229
  C      -4.812867     -6.806448      1.993165
  C      -5.744971     -6.761103      3.185789
  N      -5.983620     -5.345153      3.512142
  Mo     -4.356511     -4.272218      3.880381
  N      -2.763238     -5.053136      4.801669
  C      -1.833814     -5.805381      3.934522
  C      -2.600389     -6.752894      3.044355
  H      -1.122147     -6.386660      4.535770
  H      -1.228689     -5.109760      3.326212
  H      -3.101512     -7.510675      3.660830
  H      -1.934596     -7.272725      2.334124
  H      -6.679381     -7.286133      2.955253
  H      -5.300964     -7.292312      4.044894
  H      -5.316223     -6.359073      1.126141
  H      -4.508810     -7.833173      1.729433
  H      -3.447628     -3.365491      0.208986
  H      -4.926488     -4.169180      0.740899
  H      -2.044583     -5.009922      1.355312
  H      -3.155029     -5.871104      0.255255
  C      -1.185608      0.235735      0.583900
  C      -1.143109     -0.541043      1.676403
  C      -0.306627     -0.177784      2.872764
  C      -1.884898     -1.858563      1.741175
  C      -3.393034     -1.791923      2.163156
  C      -4.253735     -1.064518      1.117314
  C      -3.522689     -1.017915      3.470050
  C      -6.557825     -5.851972      6.771133
  C      -7.651884     -5.315964      6.211728
  C      -8.506435     -4.321981      6.948323
  C      -8.101510     -5.720307      4.827450
  C      -7.426418     -4.969797      3.635917
  C      -8.153784     -5.370260      2.332473
  C      -7.600862     -3.457518      3.778638
  C      -3.088881     -6.671192      8.803131
  C      -2.734768     -6.761422      7.513137
  C      -3.361044     -7.772318      6.596107
  C      -1.652258     -5.881875      6.940013
  C      -2.093801     -4.639402      6.090181
  C      -0.826579     -3.827087      5.753684
  C      -2.981772     -3.776533      6.979104
  H      -0.643762      1.182203      0.538942
  H      -1.753148     -0.051539     -0.303562
  H      -0.901819     -0.143873      3.798032
  H       0.184367      0.795024      2.741824
  H       0.473839     -0.939737      3.035561
  H      -1.387708     -2.521138      2.467669
  H      -1.820573     -2.348937      0.758942
  H      -3.938546     -0.015874      1.047943
  H      -5.309558     -1.089422      1.423081
  H      -4.172880     -1.498226      0.112573
  H      -4.572236     -0.956436      3.783925
  H      -2.934027     -1.465257      4.281683
  H      -3.161424      0.005252      3.304756
  H      -5.971113     -6.615457      6.259811
  H      -6.223571     -5.565090      7.769691
  H      -9.516534     -4.733025      7.109308
  H      -8.643753     -3.391347      6.377045
  H      -8.079057     -4.071086      7.927830
  H      -7.936111     -6.798803      4.684966
  H      -9.186130     -5.556690      4.728782
  H      -8.222514     -6.455516      2.184300
  H      -7.650139     -4.926096      1.461748
  H      -9.181595     -4.984554      2.368056
  H      -8.671965     -3.217084      3.743960
  H      -7.199427     -3.080656      4.722241
  H      -7.104265     -2.929046      2.951926
  H      -3.856627     -7.320908      9.227521
  H      -2.617729     -5.951803      9.475696
  H      -3.899076     -7.267248      5.780066
  H      -2.592581     -8.409300      6.127900
  H      -4.070481     -8.417764      7.129855
  H      -1.061964     -5.460858      7.766531
  H      -0.950930     -6.502949      6.360869
  H      -0.057207     -4.436782      5.262005
  H      -0.391753     -3.421046      6.676915
  H      -1.079842     -2.984820      5.093411
  H      -3.963852     -4.233510      7.152885
  H      -2.488410     -3.660378      7.953421
  H      -3.113325     -2.775603      6.551438
  N      -4.887726     -3.079910      5.004523
  H      -5.226054     -2.386499      5.674933
85
Coordinates from ORCA-job orca E -5421.273370172749
  N      -3.840534     -3.216410      2.300840
  C      -3.880356     -3.957990      1.025407
  C      -3.098559     -5.248811      1.165023
  N      -3.632759     -5.979674      2.333279
  C      -4.811103     -6.807018      1.993979
  C      -5.743033     -6.761013      3.186763
  N      -5.982378     -5.344773      3.512133
  Mo     -4.354806     -4.272612      3.881326
  N      -2.762137     -5.054978      4.801691
  C      -1.831934     -5.805899      3.934319
  C      -2.597751     -6.752885      3.043110
  H      -1.120521     -6.387840      4.535363
  H      -1.226634     -5.109376      3.327303
  H      -3.097660     -7.512195      3.658394
  H      -1.931666     -7.270902      2.332033
  H      -6.677161     -7.286860      2.956684
  H      -5.298681     -7.291653      4.046023
  H      -5.314553     -6.360459      1.126598
  H      -4.506989     -7.833935      1.731108
  H      -3.449349     -3.364430      0.209819
  H      -4.926815     -4.169243      0.744069
  H      -2.043970     -5.008616      1.354972
  H      -3.154393     -5.870019      0.255066
  C      -1.190103      0.237574      0.580586
  C      -1.144836     -0.538573      1.673282
  C      -0.305395     -0.174494      2.867350
  C      -1.885649     -1.856554      1.739964
  C      -3.393172     -1.791209      2.164654
  C      -4.256690     -1.063962      1.121030
  C      -3.520795     -1.017863      3.472365
  C      -6.555340     -5.840098      6.772633
  C      -7.651855     -5.310373      6.211970
  C      -8.511850     -4.319584      6.946758
  C      -8.099399     -5.719441      4.828469
  C      -7.425217     -4.970318      3.635745
  C      -8.153116     -5.373035      2.333279
  C      -7.599213     -3.457469      3.776217
  C      -3.094382     -6.672651      8.801107
  C      -2.737563     -6.764430      7.511890
  C      -3.362574     -7.775963      6.594402
  C      -1.653921     -5.885900      6.940665
  C      -2.093586     -4.642706      6.091036
  C      -0.825337     -3.831218      5.756433
  C      -2.981343     -3.779473      6.979661
  H      -0.648802      1.184263      0.533893
  H      -1.759674     -0.050180     -0.305312
  H      -0.899038     -0.137331      3.793860
  H       0.187355      0.797174      2.732915
  H       0.474176     -0.937782      3.029979
  H      -1.386710     -2.518850      2.465477
  H      -1.822430     -2.347067      0.757742
  H      -3.944621     -0.014676      1.053342
  H      -5.311739     -1.091980      1.427656
  H      -4.175781     -1.495361      0.115816
  H      -4.569765     -0.956466      3.788109
  H      -2.930914     -1.465839      4.283041
  H      -3.160164      0.005642      3.306934
  H      -5.963891     -6.601219      6.262858
  H      -6.222378     -5.549515      7.770874
  H      -9.518945     -4.737145      7.109456
  H      -8.655708     -3.391313      6.372905
  H      -8.085180     -4.063053      7.925312
  H      -7.931775     -6.797816      4.688922
  H      -9.184087     -5.558452      4.728398
  H      -8.222193     -6.458434      2.186655
  H      -7.650179     -4.930276      1.461751
  H      -9.180652     -4.987388      2.368686
  H      -8.669848     -3.215693      3.740521
  H      -7.197895     -3.080178      4.719606
  H      -7.100855     -2.930801      2.949253
  H      -3.863251     -7.321808      9.225538
  H      -2.624051     -5.953139      9.474100
  H      -3.900917     -7.271507      5.778064
  H      -2.593197     -8.411940      6.126457
  H      -4.071843     -8.422124      7.127800
  H      -1.064451     -5.465747      7.768258
  H      -0.952072     -6.506543      6.362386
  H      -0.054955     -4.441036      5.266035
  H      -0.392597     -3.425875      6.680899
  H      -1.077280     -2.988821      5.095257
  H      -3.963908     -4.235726      7.153055
  H      -2.488036     -3.664626      7.953969
  H      -3.111862     -2.777880      6.552592
  N      -4.885973     -3.081221      5.006242
  H      -5.225538     -2.389054      5.677264
85
Coordinates from ORCA-job orca E -5421.273375156125
  N      -3.837952     -3.216602      2.301439
  C      -3.878808     -3.957788      1.025954
  C      -3.096867     -5.248563      1.164968
  N      -3.630829     -5.979718      2.333242
  C      -4.809595     -6.806797      1.994457
  C      -5.741212     -6.760178      3.187332
  N      -5.980864     -5.343795      3.512177
  Mo     -4.352462     -4.272696      3.881654
  N      -2.761267     -5.057596      4.802543
  C      -1.830280     -5.807383      3.935328
  C      -2.595479     -6.753262      3.042388
  H      -1.119894     -6.390523      4.536579
  H      -1.224123     -5.110022      3.330217
  H      -3.095075     -7.513963      3.656173
  H      -1.928996     -7.269805      2.330518
  H      -6.675501     -7.285952      2.957437
  H      -5.297256     -7.290829      4.046781
  H      -5.313193     -6.360111      1.127169
  H      -4.505624     -7.833689      1.731495
  H      -3.448466     -3.363679      0.210384
  H      -4.925563     -4.168872      0.745577
  H      -2.042472     -5.007948      1.355276
  H      -3.152694     -5.869729      0.255024
  C      -1.196115      0.239680      0.574469
  C      -1.147609     -0.534464      1.668536
  C      -0.306966     -0.166900      2.860835
  C      -1.885921     -1.853884      1.738033
  C      -3.392673     -1.790636      2.165478
  C      -4.259308     -1.064057      1.124137
  C      -3.518290     -1.018305      3.473933
  C      -6.553676     -5.831059      6.774879
  C      -7.651616     -5.305692      6.212611
  C      -8.515506     -4.316661      6.945730
  C      -8.097350     -5.718207      4.829048
  C      -7.423531     -4.970063      3.635829
  C      -8.151732     -5.374140      2.333890
  C      -7.596729     -3.457059      3.774983
  C      -3.100957     -6.676028      8.799721
  C      -2.740549     -6.769734      7.511749
  C      -3.364112     -7.782017      6.593807
  C      -1.655964     -5.890985      6.941983
  C      -2.093788     -4.646242      6.092838
  C      -0.823899     -3.836230      5.759894
  C      -2.981171     -3.782201      6.981141
  H      -0.656901      1.187583      0.525260
  H      -1.766557     -0.050862     -0.310121
  H      -0.899326     -0.127945      3.787500
  H       0.184984      0.804320      2.723540
  H       0.473281     -0.928809      3.024537
  H      -1.384721     -2.514922      2.463231
  H      -1.823301     -2.345216      0.756080
  H      -3.948566     -0.013945      1.056188
  H      -5.313761     -1.093581      1.433699
  H      -4.180200     -1.495177      0.118248
  H      -4.566692     -0.956922      3.791486
  H      -2.927370     -1.466773      4.283470
  H      -3.158054      0.005221      3.308487
  H      -5.958227     -6.590290      6.266590
  H      -6.222365     -5.537148      7.772993
  H      -9.520723     -4.738939      7.109448
  H      -8.663999     -3.390497      6.369920
  H      -8.089598     -4.055668      7.923563
  H      -7.928722     -6.796895      4.691516
  H      -9.182337     -5.558608      4.727740
  H      -8.221569     -6.459462      2.188495
  H      -7.649266     -4.932565      1.462110
  H      -9.178748     -4.988441      2.368969
  H      -8.667098     -3.213635      3.738512
  H      -7.195319     -3.079891      4.718544
  H      -7.096400     -2.931608      2.948041
  H      -3.871390     -7.323442      9.223246
  H      -2.632263     -5.955213      9.472829
  H      -3.902619     -7.278372      5.776980
  H      -2.593777     -8.417149      6.126191
  H      -4.073191     -8.428790      7.126859
  H      -1.067667     -5.471433      7.770676
  H      -0.952856     -6.511277      6.363935
  H      -0.052898     -4.446834      5.272197
  H      -0.392667     -3.431119      6.685087
  H      -1.073632     -2.994514      5.097480
  H      -3.963898     -4.237463      7.153661
  H      -2.488480     -3.668556      7.955811
  H      -3.109680     -2.780178      6.555126
  N      -4.883400     -3.081821      5.007106
  H      -5.224794     -2.390889      5.678490
85
Coordinates from ORCA-job orca E -5421.273380035150
  N      -3.836481     -3.217073      2.300753
  C      -3.876966     -3.957925      1.025235
  C      -3.095331     -5.248837      1.164512
  N      -3.629677     -5.979819      2.332841
  C      -4.809092     -6.806079      1.994345
  C      -5.739930     -6.759398      3.187632
  N      -5.979428     -5.342997      3.512769
  Mo     -4.350248     -4.272735      3.881329
  N      -2.759764     -5.058966      4.802330
  C      -1.828998     -5.809044      3.935574
  C      -2.594560     -6.753986      3.041948
  H      -1.119732     -6.393296      4.537132
  H      -1.221813     -5.112132      3.331270
  H      -3.094576     -7.514926      3.655301
  H      -1.928145     -7.270570      2.329838
  H      -6.674528     -7.284814      2.958140
  H      -5.295994     -7.290308      4.046899
  H      -5.313247     -6.358544      1.127741
  H      -4.505549     -7.832803      1.730292
  H      -3.446053     -3.363666      0.210030
  H      -4.923690     -4.168659      0.744380
  H      -2.040953     -5.008336      1.355310
  H      -3.151295     -5.870087      0.254625
  C      -1.198838      0.241122      0.572571
  C      -1.148715     -0.532509      1.666711
  C      -0.307429     -0.163854      2.858098
  C      -1.885911     -1.852454      1.736746
  C      -3.392381     -1.790440      2.165208
  C      -4.260633     -1.064412      1.124740
  C      -3.517559     -1.018438      3.473875
  C      -6.554348     -5.826591      6.778090
  C      -7.653128     -5.305039      6.213872
  C      -8.521783     -4.319388      6.945594
  C      -8.095719     -5.719008      4.829637
  C      -7.422111     -4.969546      3.637008
  C      -8.150508     -5.372160      2.334431
  C      -7.595496     -3.456772      3.777648
  C      -3.105898     -6.674530      8.798525
  C      -2.742909     -6.770245      7.511385
  C      -3.365618     -7.783620      6.593868
  C      -1.656878     -5.892942      6.942447
  C      -2.092312     -4.647788      6.092692
  C      -0.820972     -3.839895      5.760060
  C      -2.978674     -3.782270      6.980279
  H      -0.660800      1.189559      0.522832
  H      -1.769793     -0.050171     -0.311282
  H      -0.899733     -0.122520      3.785202
  H       0.185567      0.806873      2.718863
  H       0.472333     -0.926395      3.022819
  H      -1.383683     -2.513171      2.461404
  H      -1.823415     -2.343594      0.754863
  H      -3.951746     -0.013775      1.057453
  H      -5.314776     -1.095893      1.434937
  H      -4.181418     -1.494552      0.118494
  H      -4.565843     -0.957503      3.791949
  H      -2.925760     -1.466626      4.283033
  H      -3.157890      0.005317      3.308228
  H      -5.954863     -6.583164      6.271082
  H      -6.226505     -5.531196      7.776723
  H      -9.525022     -4.746379      7.109295
  H      -8.673946     -3.394484      6.368439
  H      -8.098184     -4.055713      7.923654
  H      -7.925049     -6.797537      4.692947
  H      -9.181049     -5.561584      4.727111
  H      -8.218893     -6.457615      2.187581
  H      -7.649206     -4.928005      1.462781
  H      -9.178458     -4.987840      2.370998
  H      -8.665737     -3.212797      3.739950
  H      -7.195365     -3.080691      4.722342
  H      -7.093680     -2.930472      2.952191
  H      -3.877543     -7.320755      9.222100
  H      -2.637900     -5.953051      9.471450
  H      -3.903766     -7.281105      5.776059
  H      -2.594934     -8.419098      6.127347
  H      -4.074750     -8.429983      7.127182
  H      -1.069070     -5.473787      7.771720
  H      -0.954335     -6.514469      6.365119
  H      -0.050063     -4.451865      5.273433
  H      -0.389941     -3.435395      6.685649
  H      -1.068860     -2.997671      5.097149
  H      -3.961911     -4.236855      7.152810
  H      -2.485896     -3.669201      7.955310
  H      -3.105724     -2.780164      6.553951
  N      -4.881411     -3.081694      5.006505
  H      -5.223813     -2.391313      5.677971
85
Coordinates from ORCA-job orca E -5421.273384177774
  N      -3.835950     -3.217342      2.300458
  C      -3.876320     -3.957699      1.024655
  C      -3.094739     -5.248599      1.163828
  N      -3.628633     -5.979686      2.332324
  C      -4.808361     -6.805593      1.994302
  C      -5.738053     -6.759426      3.188372
  N      -5.977778     -5.342968      3.513907
  Mo     -4.347817     -4.273049      3.881260
  N      -2.757989     -5.060154      4.802118
  C      -1.827280     -5.809951      3.934769
  C      -2.593262     -6.754192      3.040582
  H      -1.118358     -6.395265      4.535756
  H      -1.219686     -5.112819      3.330952
  H      -3.093167     -7.515427      3.653605
  H      -1.927420     -7.270585      2.327944
  H      -6.672678     -7.284831      2.959551
  H      -5.293622     -7.290174      4.047352
  H      -5.313613     -6.357223      1.128766
  H      -4.504876     -7.831921      1.728635
  H      -3.445061     -3.363282      0.209812
  H      -4.922969     -4.168202      0.743479
  H      -2.040417     -5.008070      1.354640
  H      -3.151172     -5.869890      0.254011
  C      -1.201012      0.241633      0.570384
  C      -1.149605     -0.531207      1.665187
  C      -0.308219     -0.161094      2.855890
  C      -1.885831     -1.851750      1.736219
  C      -3.392142     -1.790232      2.165399
  C      -4.261350     -1.064547      1.125369
  C      -3.517094     -1.018586      3.474256
  C      -6.553028     -5.818321      6.781092
  C      -7.654009     -5.303099      6.215241
  C      -8.528138     -4.320812      6.944586
  C      -8.093220     -5.720571      4.831093
  C      -7.420410     -4.969892      3.638766
  C      -8.149052     -5.370903      2.335600
  C      -7.594889     -3.457415      3.781194
  C      -3.113433     -6.673589      8.796185
  C      -2.746357     -6.770855      7.510113
  C      -3.366978     -7.785535      6.592528
  C      -1.658132     -5.894941      6.943189
  C      -2.090506     -4.649284      6.092595
  C      -0.817545     -3.843775      5.760608
  C      -2.976264     -3.782095      6.979234
  H      -0.663803      1.190569      0.519581
  H      -1.772138     -0.050868     -0.312894
  H      -0.900064     -0.119307      3.782798
  H       0.183936      0.809664      2.716085
  H       0.472146     -0.922595      3.021300
  H      -1.382853     -2.511877      2.461117
  H      -1.823322     -2.343423      0.754491
  H      -3.954356     -0.013388      1.058951
  H      -5.315376     -1.097970      1.435544
  H      -4.181326     -1.493683      0.118822
  H      -4.565368     -0.957735      3.792395
  H      -2.924884     -1.466791      4.283044
  H      -3.157369      0.005154      3.308726
  H      -5.948965     -6.572105      6.275349
  H      -6.228567     -5.519877      7.779992
  H      -9.529099     -4.752800      7.109718
  H      -8.685043     -3.398227      6.364834
  H      -8.106535     -4.052850      7.922371
  H      -7.918743     -6.798503      4.696641
  H      -9.178971     -5.567244      4.727450
  H      -8.216273     -6.456305      2.187231
  H      -7.648665     -4.924377      1.464424
  H      -9.177705     -4.987771      2.373526
  H      -8.664873     -3.213802      3.740814
  H      -7.198169     -3.082239      4.727433
  H      -7.091210     -2.929161      2.958332
  H      -3.886875     -7.318275      9.218316
  H      -2.646954     -5.951796      9.469685
  H      -3.904890     -7.284407      5.773731
  H      -2.595233     -8.420815      6.127209
  H      -4.075743     -8.432404      7.125840
  H      -1.071322     -5.476522      7.773574
  H      -0.956381     -6.517983      6.366845
  H      -0.047010     -4.457605      5.275326
  H      -0.386535     -3.439615      6.686497
  H      -1.062886     -3.000998      5.097388
  H      -3.959842     -4.236282      7.152103
  H      -2.483379     -3.668833      7.954056
  H      -3.102655     -2.780325      6.552051
  N      -4.879739     -3.082463      5.006461
  H      -5.223227     -2.393058      5.678394
85
Coordinates from ORCA-job orca E -5421.273387183025
  N      -3.834919     -3.217737      2.299324
  C      -3.874541     -3.958054      1.023474
  C      -3.093375     -5.249083      1.163473
  N      -3.627913     -5.979633      2.332045
  C      -4.808136     -6.804613      1.993770
  C      -5.737217     -6.759085      3.188296
  N      -5.976423     -5.342746      3.514614
  Mo     -4.346041     -4.273041      3.880745
  N      -2.757091     -5.061191      4.802163
  C      -1.826791     -5.812011      3.935319
  C      -2.593282     -6.755196      3.040520
  H      -1.118967     -6.398166      4.536765
  H      -1.217942     -5.115738      3.331935
  H      -3.094089     -7.516085      3.653382
  H      -1.927713     -7.272106      2.327925
  H      -6.672246     -7.284017      2.959655
  H      -5.292568     -7.290233      4.046999
  H      -5.313682     -6.355057      1.128974
  H      -4.505162     -7.830773      1.726777
  H      -3.442323     -3.363919      0.208978
  H      -4.921012     -4.168097      0.741362
  H      -2.038995     -5.008904      1.354625
  H      -3.149743     -5.870781      0.253891
  C      -1.203813      0.243516      0.569633
  C      -1.150872     -0.529176      1.664221
  C      -0.309526     -0.157847      2.854573
  C      -1.885709     -1.850337      1.735270
  C      -3.391937     -1.790198      2.164390
  C      -4.261832     -1.065523      1.124063
  C      -3.517685     -1.018615      3.473107
  C      -6.551276     -5.813039      6.783178
  C      -7.653981     -5.302221      6.216622
  C      -8.531418     -4.321771      6.944401
  C      -8.091242     -5.721318      4.832272
  C      -7.418917     -4.969494      3.640418
  C      -8.147565     -5.369199      2.336980
  C      -7.593723     -3.457398      3.784756
  C      -3.119153     -6.672786      8.794337
  C      -2.749023     -6.772019      7.509402
  C      -3.367863     -7.787853      6.592075
  C      -1.659278     -5.897156      6.943633
  C      -2.089640     -4.650800      6.092831
  C      -0.815388     -3.846903      5.761606
  C      -2.974820     -3.782394      6.978993
  H      -0.667789      1.192888      0.518767
  H      -1.775250     -0.049602     -0.313219
  H      -0.901439     -0.114582      3.781913
  H       0.182791      0.813079      2.713497
  H       0.470778     -0.919467      3.020957
  H      -1.381831     -2.509890      2.460044
  H      -1.822951     -2.341744      0.753599
  H      -3.956234     -0.013849      1.057547
  H      -5.315915     -1.100287      1.434115
  H      -4.180990     -1.494689      0.117442
  H      -4.565969     -0.959204      3.791284
  H      -2.924334     -1.465678      4.281825
  H      -3.159325      0.005590      3.307366
  H      -5.944489     -6.565097      6.278190
  H      -6.228897     -5.512819      7.782110
  H      -9.531558     -4.756202      7.110150
  H      -8.690960     -3.400378      6.363385
  H      -8.110597     -4.051379      7.921857
  H      -7.914208     -6.798956      4.698412
  H      -9.177288     -5.570441      4.728046
  H      -8.213921     -6.454390      2.187059
  H      -7.647599     -4.920971      1.466550
  H      -9.176500     -4.987012      2.375739
  H      -8.663905     -3.214209      3.743051
  H      -7.198536     -3.083163      4.732218
  H      -7.089142     -2.927751      2.963338
  H      -3.893757     -7.316879      9.215417
  H      -2.654179     -5.949949      9.467773
  H      -3.905543     -7.287947      5.772404
  H      -2.595375     -8.423046      6.127945
  H      -4.076446     -8.434848      7.125333
  H      -1.072743     -5.479702      7.774671
  H      -0.957994     -6.521021      6.367316
  H      -0.045434     -4.462079      5.277043
  H      -0.384156     -3.442957      6.687550
  H      -1.058823     -3.003621      5.098509
  H      -3.958615     -4.235672      7.151664
  H      -2.482180     -3.668803      7.954009
  H      -3.100229     -2.781059      6.551166
  N      -4.878028     -3.082204      5.005718
  H      -5.222308     -2.393326      5.677821
85
Coordinates from ORCA-job orca E -5421.273390652406
  N      -3.834201     -3.217573      2.298388
  C      -3.873087     -3.957896      1.022504
  C      -3.092107     -5.248929      1.163282
  N      -3.627266     -5.978843      2.331901
  C      -4.807730     -6.803213      1.993215
  C      -5.736199     -6.758679      3.188272
  N      -5.975135     -5.342505      3.515373
  Mo     -4.344642     -4.272655      3.880356
  N      -2.756747     -5.061500      4.802154
  C      -1.826694     -5.813451      3.935954
  C      -2.593465     -6.755573      3.040448
  H      -1.119934     -6.400353      4.537944
  H      -1.216417     -5.118050      3.333072
  H      -3.095031     -7.516288      3.652903
  H      -1.928006     -7.272719      2.327881
  H      -6.671315     -7.283636      2.959920
  H      -5.290830     -7.290018      4.046561
  H      -5.313520     -6.352679      1.129084
  H      -4.505161     -7.829242      1.725070
  H      -3.440123     -3.364101      0.208190
  H      -4.919340     -4.167716      0.739485
  H      -2.037684     -5.008983      1.354639
  H      -3.148191     -5.871104      0.253986
  C      -1.203785      0.243859      0.567510
  C      -1.151022     -0.527902      1.663016
  C      -0.310838     -0.154988      2.853606
  C      -1.885062     -1.849515      1.734899
  C      -3.391427     -1.789879      2.163345
  C      -4.261228     -1.065864      1.122440
  C      -3.518029     -1.018049      3.471792
  C      -6.548223     -5.805021      6.786025
  C      -7.653652     -5.300753      6.219043
  C      -8.536501     -4.324609      6.945925
  C      -8.088772     -5.722190      4.834643
  C      -7.417591     -4.969381      3.642743
  C      -8.146822     -5.368347      2.339623
  C      -7.592560     -3.457626      3.788311
  C      -3.126333     -6.672441      8.791070
  C      -2.752198     -6.773468      7.507502
  C      -3.368119     -7.790554      6.589750
  C      -1.660742     -5.898965      6.943851
  C      -2.089367     -4.651995      6.092900
  C      -0.814123     -3.849777      5.762106
  C      -2.973917     -3.782680      6.978505
  H      -0.667954      1.193327      0.515761
  H      -1.774481     -0.050494     -0.315471
  H      -0.903130     -0.111719      3.780423
  H       0.180245      0.816288      2.712337
  H       0.470162     -0.915551      3.021131
  H      -1.380994     -2.508123      2.460458
  H      -1.821631     -2.341628      0.753565
  H      -3.957014     -0.013679      1.056453
  H      -5.315698     -1.102110      1.431551
  H      -4.178684     -1.494732      0.115730
  H      -4.566451     -0.959096      3.789782
  H      -2.924455     -1.464389      4.280551
  H      -3.160095      0.006246      3.305867
  H      -5.937441     -6.554053      6.281569
  H      -6.228261     -5.502756      7.785064
  H      -9.533868     -4.763965      7.112938
  H      -8.701364     -3.405099      6.363451
  H      -8.117070     -4.050517      7.922854
  H      -7.908394     -6.799573      4.701463
  H      -9.175098     -5.574508      4.729854
  H      -8.211287     -6.453305      2.187716
  H      -7.648323     -4.917746      1.469627
  H      -9.176391     -4.988146      2.380061
  H      -8.662951     -3.215199      3.745118
  H      -7.198740     -3.083846      4.736728
  H      -7.087246     -2.927223      2.967953
  H      -3.902201     -7.316250      9.210275
  H      -2.663686     -5.948454      9.464861
  H      -3.905919     -7.291814      5.769291
  H      -2.594213     -8.424675      6.126683
  H      -4.076206     -8.438577      7.122366
  H      -1.074917     -5.482475      7.775899
  H      -0.958979     -6.522822      6.367923
  H      -0.045455     -4.466049      5.276943
  H      -0.381856     -3.447033      6.688035
  H      -1.056336     -3.005287      5.099752
  H      -3.957929     -4.235365      7.151636
  H      -2.480936     -3.668455      7.953399
  H      -3.099380     -2.781766      6.549497
  N      -4.876891     -3.081830      5.005270
  H      -5.222049     -2.393812      5.677805
85
Coordinates from ORCA-job orca E -5421.273393869422
  N      -3.833019     -3.217040      2.297166
  C      -3.871586     -3.957695      1.021492
  C      -3.090748     -5.248652      1.163073
  N      -3.626366     -5.977906      2.331772
  C      -4.806779     -6.802160      1.992702
  C      -5.734911     -6.758430      3.188158
  N      -5.973723     -5.342464      3.515936
  Mo     -4.343325     -4.272036      3.879711
  N      -2.756658     -5.061789      4.802567
  C      -1.826428     -5.814129      3.936266
  C      -2.593101     -6.755480      3.039880
  H      -1.120142     -6.401522      4.538272
  H      -1.215239     -5.118539      3.334035
  H      -3.094981     -7.516504      3.651460
  H      -1.927726     -7.272112      2.327016
  H      -6.669886     -7.283568      2.960089
  H      -5.288792     -7.289936      4.045937
  H      -5.312668     -6.351155      1.128950
  H      -4.504332     -7.828133      1.724083
  H      -3.438180     -3.364298      0.207146
  H      -4.917737     -4.167285      0.738056
  H      -2.036360     -5.008700      1.354472
  H      -3.146277     -5.871454      0.254167
  C      -1.203881      0.245358      0.565520
  C      -1.151104     -0.526131      1.661155
  C      -0.310975     -0.152672      2.851476
  C      -1.884681     -1.848021      1.733459
  C      -3.391069     -1.789266      2.161584
  C      -4.261117     -1.066365      1.120193
  C      -3.518526     -1.017050      3.469744
  C      -6.543407     -5.795240      6.788701
  C      -7.652204     -5.298320      6.221706
  C      -8.540401     -4.326101      6.947737
  C      -8.085670     -5.723018      4.837703
  C      -7.416175     -4.969665      3.645159
  C      -8.146954     -5.368554      2.343010
  C      -7.591525     -3.458136      3.791641
  C      -3.135099     -6.673630      8.787678
  C      -2.756377     -6.776067      7.505460
  C      -3.368368     -7.794584      6.586824
  C      -1.663271     -5.901577      6.944820
  C      -2.089875     -4.653727      6.094080
  C      -0.813541     -3.852655      5.764697
  C      -2.974244     -3.783761      6.979335
  H      -0.667878      1.194731      0.513328
  H      -1.774415     -0.049452     -0.317397
  H      -0.903202     -0.109479      3.778286
  H       0.179742      0.818819      2.709997
  H       0.470177     -0.912830      3.019014
  H      -1.380317     -2.505997      2.459182
  H      -1.820958     -2.340375      0.752265
  H      -3.958676     -0.013743      1.054831
  H      -5.315840     -1.104476      1.428121
  H      -4.176720     -1.494745      0.113534
  H      -4.566924     -0.959541      3.788042
  H      -2.924005     -1.462073      4.278608
  H      -3.162108      0.007764      3.303377
  H      -5.928240     -6.540840      6.284284
  H      -6.224725     -5.490152      7.787240
  H      -9.535303     -4.770524      7.115709
  H      -8.710806     -3.408391      6.363923
  H      -8.121818     -4.047885      7.923934
  H      -7.901671     -6.799989      4.705575
  H      -9.172418     -5.578778      4.732493
  H      -8.209879     -6.453175      2.189345
  H      -7.650590     -4.916227      1.472865
  H      -9.176894     -4.990245      2.385572
  H      -8.662280     -3.216524      3.747598
  H      -7.198595     -3.084918      4.740712
  H      -7.085973     -2.926952      2.971697
  H      -3.912267     -7.317500      9.204247
  H      -2.675356     -5.948917      9.462462
  H      -3.906374     -7.297357      5.765559
  H      -2.592425     -8.426876      6.124959
  H      -4.075846     -8.444119      7.118146
  H      -1.078854     -5.485952      7.778221
  H      -0.960278     -6.524751      6.369907
  H      -0.046094     -4.469457      5.278541
  H      -0.380486     -3.451590      6.690929
  H      -1.054420     -3.006947      5.103614
  H      -3.958210     -4.235809      7.152756
  H      -2.481405     -3.668392      7.954006
  H      -3.099915     -2.783189      6.549422
  N      -4.875455     -3.081084      5.004655
  H      -5.221574     -2.394014      5.677713
85
Coordinates from ORCA-job orca E -5421.273396701537
  N      -3.831552     -3.217099      2.296549
  C      -3.869585     -3.958224      1.021168
  C      -3.089351     -5.249495      1.163461
  N      -3.625977     -5.978054      2.332180
  C      -4.806846     -6.801708      1.992792
  C      -5.734743     -6.758113      3.188533
  N      -5.972708     -5.342244      3.517259
  Mo     -4.341914     -4.271999      3.879622
  N      -2.755788     -5.062339      4.802504
  C      -1.826245     -5.816266      3.936946
  C      -2.593573     -6.756765      3.040425
  H      -1.120885     -6.404130      4.539596
  H      -1.213970     -5.121752      3.334853
  H      -3.096207     -7.517578      3.651578
  H      -1.928399     -7.273693      2.327613
  H      -6.669943     -7.282895      2.960470
  H      -5.288441     -7.290408      4.045750
  H      -5.312582     -6.350152      1.129235
  H      -4.504997     -7.827791      1.723956
  H      -3.435506     -3.365255      0.206784
  H      -4.915701     -4.167477      0.737137
  H      -2.034878     -5.009942      1.355138
  H      -3.144535     -5.872628      0.254777
  C      -1.204904      0.246523      0.564164
  C      -1.151704     -0.524411      1.660166
  C      -0.312363     -0.149444      2.850875
  C      -1.884096     -1.846979      1.733182
  C      -3.390765     -1.789142      2.160214
  C      -4.260648     -1.067456      1.117851
  C      -3.519539     -1.016055      3.467811
  C      -6.541765     -5.788232      6.790420
  C      -7.652951     -5.296849      6.223294
  C      -8.546319     -4.329337      6.949346
  C      -8.084333     -5.723152      4.839152
  C      -7.414954     -4.968995      3.647156
  C      -8.146247     -5.366464      2.344900
  C      -7.589615     -3.457422      3.795432
  C      -3.140601     -6.673297      8.784870
  C      -2.758576     -6.777350      7.503691
  C      -3.367796     -7.797136      6.584583
  C      -1.664079     -5.903332      6.944990
  C      -2.088997     -4.655045      6.094148
  C      -0.811810     -3.855098      5.765044
  C      -2.972928     -3.784095      6.978757
  H      -0.669918      1.196410      0.511882
  H      -1.775009     -0.049196     -0.318866
  H      -0.904924     -0.106984      3.777464
  H       0.176912      0.822673      2.709368
  H       0.469804     -0.908558      3.018839
  H      -1.379615     -2.503797      2.459961
  H      -1.819292     -2.340255      0.752423
  H      -3.959211     -0.014388      1.052532
  H      -5.315702     -1.106801      1.424771
  H      -4.174726     -1.496033      0.111298
  H      -4.568077     -0.959148      3.785754
  H      -2.925189     -1.460049      4.277291
  H      -3.163964      0.008925      3.300901
  H      -5.922369     -6.530053      6.285457
  H      -6.224366     -5.481815      7.789099
  H      -9.538707     -4.779081      7.116947
  H      -8.721476     -3.412791      6.365143
  H      -8.129369     -4.048330      7.925464
  H      -7.898510     -6.799805      4.707399
  H      -9.171046     -5.580762      4.732690
  H      -8.208284     -6.450727      2.188859
  H      -7.650902     -4.912281      1.475401
  H      -9.176250     -4.989325      2.388619
  H      -8.660071     -3.215345      3.750335
  H      -7.197738     -3.085713      4.745501
  H      -7.083243     -2.925664      2.976665
  H      -3.918745     -7.317001      9.200033
  H      -2.682751     -5.947797      9.460088
  H      -3.905941     -7.301279      5.762419
  H      -2.590158     -8.427946      6.123666
  H      -4.074854     -8.447887      7.115144
  H      -1.080537     -5.488196      7.779250
  H      -0.960168     -6.526220      6.371129
  H      -0.045451     -4.472274      5.277577
  H      -0.377666     -3.455516      6.691341
  H      -1.052235     -3.008514      5.104763
  H      -3.957252     -4.235534      7.152520
  H      -2.480164     -3.667885      7.953335
  H      -3.098297     -2.783749      6.547847
  N      -4.873064     -3.080652      5.004508
  H      -5.218862     -2.393995      5.678171
85
Coordinates from ORCA-job orca E -5421.273399120219
  N      -3.830239     -3.216864      2.295636
  C      -3.868051     -3.958671      1.020823
  C      -3.088469     -5.250215      1.163752
  N      -3.625859     -5.978149      2.332466
  C      -4.807060     -6.801347      1.992919
  C      -5.734858     -6.757539      3.188758
  N      -5.971972     -5.341818      3.518381
  Mo     -4.340890     -4.271529      3.879128
  N      -2.755164     -5.062254      4.802554
  C      -1.826160     -5.817233      3.937234
  C      -2.594049     -6.757427      3.040882
  H      -1.121150     -6.405286      4.540124
  H      -1.213468     -5.123208      3.334961
  H      -3.097185     -7.518081      3.651686
  H      -1.928990     -7.274642      2.328153
  H      -6.670346     -7.281689      2.960385
  H      -5.288883     -7.290835      4.045530
  H      -5.312671     -6.349499      1.129436
  H      -4.505593     -7.827507      1.724097
  H      -3.433507     -3.366185      0.206315
  H      -4.914145     -4.167684      0.736467
  H      -2.034014     -5.010969      1.355715
  H      -3.143451     -5.873556      0.255234
  C      -1.203569      0.247269      0.563075
  C      -1.151397     -0.523295      1.659456
  C      -0.312969     -0.147916      2.850692
  C      -1.883378     -1.846150      1.732660
  C      -3.390491     -1.788841      2.158496
  C      -4.259969     -1.068303      1.115065
  C      -3.520569     -1.014832      3.465449
  C      -6.540154     -5.782770      6.792366
  C      -7.653638     -5.296540      6.225216
  C      -8.552012     -4.333886      6.951567
  C      -8.083180     -5.723996      4.840781
  C      -7.414180     -4.968544      3.649154
  C      -8.146086     -5.364321      2.346667
  C      -7.588804     -3.457079      3.799192
  C      -3.145841     -6.672795      8.782053
  C      -2.760678     -6.778144      7.501913
  C      -3.366886     -7.799405      6.582338
  C      -1.665099     -5.904209      6.945152
  C      -2.088332     -4.655465      6.094382
  C      -0.810458     -3.856653      5.765432
  C      -2.971431     -3.783479      6.978634
  H      -0.668733      1.197421      0.511026
  H      -1.772666     -0.048851     -0.320416
  H      -0.906244     -0.106769      3.776818
  H       0.175537      0.824683      2.709988
  H       0.469780     -0.906383      3.018509
  H      -1.379328     -2.502207      2.460349
  H      -1.817443     -2.340149      0.752340
  H      -3.959311     -0.015138      1.050079
  H      -5.315269     -1.108722      1.420597
  H      -4.172568     -1.496807      0.108741
  H      -4.569327     -0.958671      3.782933
  H      -2.926450     -1.457779      4.275706
  H      -3.165871      0.010348      3.297864
  H      -5.916396     -6.520443      6.286842
  H      -6.223977     -5.475300      7.791134
  H      -9.542288     -4.789018      7.118008
  H      -8.731406     -3.418034      6.367452
  H      -8.136874     -4.050775      7.927916
  H      -7.895951     -6.800287      4.709099
  H      -9.170108     -5.583155      4.733359
  H      -8.206422     -6.448369      2.188028
  H      -7.652357     -4.907298      1.477527
  H      -9.176808     -4.989016      2.392167
  H      -8.659343     -3.215022      3.754119
  H      -7.197246     -3.086849      4.749992
  H      -7.082556     -2.924227      2.980909
  H      -3.924649     -7.316516      9.196057
  H      -2.689911     -5.946356      9.457635
  H      -3.905224     -7.305364      5.759143
  H      -2.587237     -8.428586      6.122618
  H      -4.073335     -8.451495      7.112214
  H      -1.082766     -5.489377      7.780396
  H      -0.960019     -6.526804      6.372338
  H      -0.045339     -4.473841      5.276138
  H      -0.375000     -3.459045      6.691965
  H      -1.050692     -3.009114      5.106375
  H      -3.955885     -4.234096      7.153050
  H      -2.478546     -3.666669      7.952983
  H      -3.096232     -2.783406      6.546988
  N      -4.871102     -3.079773      5.003832
  H      -5.215847     -2.393315      5.678164
85
Coordinates from ORCA-job orca E -5421.273401897449
  N      -3.829313     -3.217154      2.294986
  C      -3.866910     -3.959622      1.020674
  C      -3.088160     -5.251519      1.164241
  N      -3.626061     -5.978948      2.333036
  C      -4.807674     -6.801704      1.993731
  C      -5.735468     -6.757166      3.189533
  N      -5.971756     -5.341495      3.519630
  Mo     -4.340145     -4.271460      3.878831
  N      -2.754195     -5.062078      4.802414
  C      -1.825835     -5.817961      3.937174
  C      -2.594444     -6.758315      3.041546
  H      -1.120848     -6.405992      4.540090
  H      -1.213219     -5.124365      3.334244
  H      -3.097781     -7.518731      3.652436
  H      -1.929672     -7.276002      2.328878
  H      -6.671267     -7.280511      2.960838
  H      -5.290240     -7.291278      4.046176
  H      -5.313202     -6.349809      1.130200
  H      -4.506506     -7.827985      1.725127
  H      -3.431680     -3.367633      0.206146
  H      -4.912981     -4.168256      0.735835
  H      -2.033684     -5.012653      1.356506
  H      -3.143258     -5.874961      0.255803
  C      -1.203323      0.247905      0.563634
  C      -1.151168     -0.523034      1.659615
  C      -0.313218     -0.147824      2.851493
  C      -1.882679     -1.846109      1.732236
  C      -3.390204     -1.789135      2.157127
  C      -4.259072     -1.069393      1.112654
  C      -3.521274     -1.014254      3.463424
  C      -6.540306     -5.779485      6.793227
  C      -7.655447     -5.296947      6.226163
  C      -8.557895     -4.338522      6.953012
  C      -8.083327     -5.724447      4.841134
  C      -7.413850     -4.967753      3.650497
  C      -8.145834     -5.360955      2.347108
  C      -7.588271     -3.456418      3.802926
  C      -3.148677     -6.672172      8.779951
  C      -2.761207     -6.778001      7.500465
  C      -3.364855     -7.800766      6.580726
  C      -1.665083     -5.903824      6.945183
  C      -2.087079     -4.655041      6.094064
  C      -0.808842     -3.856754      5.764735
  C      -2.969656     -3.782008      6.977746
  H      -0.669252      1.198548      0.512638
  H      -1.771968     -0.048046     -0.320280
  H      -0.906798     -0.108895      3.777668
  H       0.174075      0.825653      2.712152
  H       0.470585     -0.905548      3.018245
  H      -1.379017     -2.501838      2.460405
  H      -1.815948     -2.340272      0.752145
  H      -3.957909     -0.016332      1.047150
  H      -5.314606     -1.109478      1.417617
  H      -4.171271     -1.498628      0.106581
  H      -4.570268     -0.958571      3.780303
  H      -2.927583     -1.456497      4.274296
  H      -3.167057      0.010945      3.295339
  H      -5.912970     -6.513716      6.287213
  H      -6.225455     -5.471900      7.792281
  H      -9.546516     -4.798016      7.117934
  H      -8.740420     -3.422852      6.369577
  H      -8.144641     -4.054525      7.929884
  H      -7.895900     -6.800642      4.709102
  H      -9.170295     -5.583916      4.732654
  H      -8.205884     -6.444676      2.186119
  H      -7.652574     -4.901852      1.478845
  H      -9.176734     -4.986174      2.393469
  H      -8.658586     -3.213787      3.758083
  H      -7.197022     -3.088147      4.754573
  H      -7.081936     -2.922258      2.985686
  H      -3.927716     -7.315961      9.193255
  H      -2.694290     -5.945087      9.455849
  H      -3.903382     -7.308701      5.756447
  H      -2.583440     -8.428597      6.122265
  H      -4.070546     -8.453828      7.110258
  H      -1.084115     -5.488797      7.781327
  H      -0.959080     -6.526364      6.373566
  H      -0.044350     -4.473509      5.273858
  H      -0.372139     -3.460497      6.691298
  H      -1.049655     -3.008537      5.106860
  H      -3.954374     -4.232263      7.152696
  H      -2.476687     -3.664636      7.952081
  H      -3.093632     -2.782169      6.545510
  N      -4.869427     -3.078978      5.003131
  H      -5.212352     -2.392231      5.678085
85
Coordinates from ORCA-job orca E -5421.273404042726
  N      -3.828805     -3.217562      2.294716
  C      -3.865989     -3.960415      1.020600
  C      -3.087978     -5.252649      1.164741
  N      -3.626413     -5.979854      2.333486
  C      -4.808493     -6.801937      1.994229
  C      -5.736484     -6.756763      3.189747
  N      -5.971978     -5.341127      3.520272
  Mo     -4.339879     -4.271475      3.878583
  N      -2.753635     -5.061958      4.802262
  C      -1.825849     -5.818833      3.937440
  C      -2.595047     -6.759318      3.042376
  H      -1.121143     -6.406835      4.540681
  H      -1.213111     -5.126007      3.333902
  H      -3.098772     -7.519325      3.653592
  H      -1.930478     -7.277687      2.329916
  H      -6.672700     -7.279126      2.960335
  H      -5.292377     -7.291617      4.046473
  H      -5.313672     -6.349860      1.130558
  H      -4.507689     -7.828325      1.725697
  H      -3.429923     -3.368784      0.206255
  H      -4.911972     -4.168612      0.735046
  H      -2.033485     -5.014257      1.357512
  H      -3.143226     -5.876030      0.256260
  C      -1.202750      0.248069      0.564276
  C      -1.151112     -0.522956      1.660215
  C      -0.313915     -0.147787      2.852528
  C      -1.882229     -1.846244      1.732454
  C      -3.390165     -1.789515      2.156470
  C      -4.258469     -1.070551      1.110948
  C      -3.522306     -1.014015      3.462195
  C      -6.539991     -5.777336      6.792624
  C      -7.656618     -5.297332      6.226336
  C      -8.561442     -4.341780      6.953796
  C      -8.083887     -5.724543      4.841018
  C      -7.413957     -4.966953      3.651182
  C      -8.145443     -5.358145      2.346970
  C      -7.588222     -3.455871      3.805640
  C      -3.149914     -6.671672      8.778385
  C      -2.760913     -6.777717      7.499495
  C      -3.362648     -7.801872      6.579964
  C      -1.664724     -5.903068      6.945031
  C      -2.086196     -4.654390      6.093591
  C      -0.807976     -3.856423      5.763757
  C      -2.968313     -3.780568      6.977145
  H      -0.669025      1.198993      0.513889
  H      -1.770605     -0.047881     -0.320022
  H      -0.907750     -0.111082      3.778628
  H       0.172096      0.826592      2.714487
  H       0.470966     -0.904562      3.018304
  H      -1.378975     -2.501656      2.461236
  H      -1.814704     -2.340749      0.752591
  H      -3.956966     -0.017686      1.044873
  H      -5.314124     -1.110186      1.415340
  H      -4.170339     -1.500476      0.105233
  H      -4.571570     -0.958809      3.778290
  H      -2.928932     -1.455654      4.273683
  H      -3.168491      0.011240      3.293721
  H      -5.910525     -6.509438      6.286150
  H      -6.225739     -5.469873      7.791943
  H      -9.549229     -4.803812      7.117742
  H      -8.745769     -3.425872      6.371252
  H      -8.149220     -4.057912      7.931167
  H      -7.896799     -6.800602      4.708792
  H      -9.170844     -5.583911      4.732198
  H      -8.205015     -6.441716      2.184380
  H      -7.652224     -4.897146      1.479525
  H      -9.176733     -4.983877      2.393776
  H      -8.658489     -3.212942      3.761834
  H      -7.196487     -3.089139      4.757653
  H      -7.082238     -2.920420      2.989010
  H      -3.928859     -7.315717      9.191453
  H      -2.696722     -5.943745      9.454287
  H      -3.901336     -7.311544      5.754778
  H      -2.579808     -8.428855      6.122601
  H      -4.067601     -8.455655      7.109624
  H      -1.084750     -5.487925      7.781836
  H      -0.958204     -6.525614      6.373922
  H      -0.043858     -4.472623      5.271705
  H      -0.370462     -3.461086      6.690396
  H      -1.049490     -3.007647      5.106983
  H      -3.953089     -4.230393      7.152644
  H      -2.475053     -3.663164      7.951354
  H      -3.091536     -2.780755      6.544780
  N      -4.868430     -3.078463      5.002575
  H      -5.209484     -2.391328      5.678045
85
Coordinates from ORCA-job orca E -5421.273406207768
  N      -3.828229     -3.218155      2.294632
  C      -3.865270     -3.961218      1.020520
  C      -3.087954     -5.253730      1.165163
  N      -3.626605     -5.980663      2.333948
  C      -4.809063     -6.802150      1.994829
  C      -5.737468     -6.756285      3.189901
  N      -5.972379     -5.340552      3.520408
  Mo     -4.339720     -4.271530      3.878436
  N      -2.753302     -5.062054      4.802266
  C      -1.825786     -5.819533      3.937644
  C      -2.595335     -6.760131      3.042871
  H      -1.121332     -6.407686      4.541022
  H      -1.212776     -5.127164      3.333704
  H      -3.099134     -7.519886      3.654358
  H      -1.931034     -7.278875      2.330435
  H      -6.673913     -7.277897      2.959771
  H      -5.294481     -7.291387      4.047016
  H      -5.313750     -6.350065      1.130882
  H      -4.508629     -7.828716      1.726486
  H      -3.428366     -3.370017      0.206377
  H      -4.911160     -4.168839      0.734344
  H      -2.033437     -5.015809      1.358167
  H      -3.143535     -5.877164      0.256724
  C      -1.202896      0.248135      0.564415
  C      -1.151028     -0.522905      1.660331
  C      -0.314398     -0.147374      2.852902
  C      -1.881561     -1.846464      1.732332
  C      -3.389730     -1.790041      2.155998
  C      -4.257763     -1.071638      1.109869
  C      -3.522399     -1.013960      3.461255
  C      -6.539845     -5.776183      6.791594
  C      -7.657809     -5.298310      6.226269
  C      -8.564485     -4.345267      6.954564
  C      -8.084772     -5.724483      4.840419
  C      -7.414344     -4.965874      3.651489
  C      -8.145325     -5.354968      2.346444
  C      -7.588305     -3.455119      3.808231
  C      -3.150943     -6.671302      8.777503
  C      -2.760557     -6.777441      7.499116
  C      -3.360349     -7.803064      6.579909
  C      -1.664474     -5.902212      6.945370
  C      -2.085668     -4.653935      6.093256
  C      -0.807531     -3.856129      5.763059
  C      -2.967424     -3.779317      6.976510
  H      -0.669725      1.199353      0.514277
  H      -1.770272     -0.048080     -0.320109
  H      -0.908041     -0.113000      3.779298
  H       0.169625      0.828170      2.715882
  H       0.472101     -0.902811      3.017561
  H      -1.378353     -2.501636      2.461319
  H      -1.813679     -2.341019      0.752598
  H      -3.955725     -0.018997      1.042893
  H      -5.313476     -1.110390      1.414335
  H      -4.169861     -1.502447      0.104528
  H      -4.571835     -0.958928      3.776899
  H      -2.929147     -1.455137      4.273000
  H      -3.168691      0.011260      3.292383
  H      -5.908641     -6.506495      6.284830
  H      -6.226409     -5.469063      7.791175
  H      -9.551597     -4.809050      7.117868
  H      -8.750280     -3.428955      6.373223
  H      -8.152974     -4.062087      7.932349
  H      -7.898098     -6.800611      4.707495
  H      -9.171677     -5.583363      4.731603
  H      -8.205388     -6.438270      2.182640
  H      -7.651430     -4.892977      1.480023
  H      -9.176518     -4.980295      2.393161
  H      -8.658567     -3.211931      3.765804
  H      -7.195600     -3.090023      4.760504
  H      -7.082607     -2.918356      2.992238
  H      -3.929700     -7.315613      9.190355
  H      -2.698980     -5.942655      9.453444
  H      -3.898972     -7.314530      5.753694
  H      -2.576291     -8.429556      6.123942
  H      -4.064684     -8.457229      7.109782
  H      -1.085474     -5.486799      7.782724
  H      -0.957489     -6.524739      6.374765
  H      -0.043516     -4.471779      5.270288
  H      -0.369633     -3.461303      6.689779
  H      -1.049678     -3.006837      5.107293
  H      -3.952344     -4.228761      7.152484
  H      -2.473693     -3.661835      7.950532
  H      -3.089938     -2.779592      6.543913
  N      -4.867850     -3.077962      5.002009
  H      -5.207327     -2.390431      5.677839
85
Coordinates from ORCA-job orca E -5421.273407864001
  N      -3.827615     -3.218697      2.294730
  C      -3.864378     -3.961656      1.020394
  C      -3.087550     -5.254379      1.165432
  N      -3.626515     -5.981143      2.334215
  C      -4.809306     -6.802055      1.995012
  C      -5.738272     -6.755744      3.189547
  N      -5.972764     -5.339876      3.519950
  Mo     -4.339698     -4.271535      3.878377
  N      -2.753348     -5.062408      4.802309
  C      -1.825877     -5.820405      3.938185
  C      -2.595461     -6.760827      3.043211
  H      -1.121983     -6.408828      4.541948
  H      -1.212196     -5.128567      3.334318
  H      -3.099440     -7.520463      3.654774
  H      -1.931259     -7.279692      2.330758
  H      -6.674877     -7.276793      2.958662
  H      -5.296242     -7.290883      4.047116
  H      -5.313341     -6.349917      1.130718
  H      -4.509310     -7.828823      1.726829
  H      -3.426627     -3.370675      0.206571
  H      -4.910192     -4.168649      0.733581
  H      -2.032955     -5.016902      1.358625
  H      -3.143321     -5.877906      0.257039
  C      -1.203442      0.248310      0.564204
  C      -1.151204     -0.522573      1.660243
  C      -0.314597     -0.146607      2.852470
  C      -1.881193     -1.846418      1.732344
  C      -3.389404     -1.790418      2.155942
  C      -4.257645     -1.072653      1.109506
  C      -3.522513     -1.014077      3.460950
  C      -6.538192     -5.773422      6.790056
  C      -7.657883     -5.298169      6.225979
  C      -8.566132     -4.347375      6.955191
  C      -8.085075     -5.724090      4.840078
  C      -7.414737     -4.964953      3.651542
  C      -8.145550     -5.353125      2.346278
  C      -7.588432     -3.454523      3.809892
  C      -3.152478     -6.671335      8.776639
  C      -2.760579     -6.777837      7.498819
  C      -3.358311     -7.804975      6.580001
  C      -1.664627     -5.902008      6.945779
  C      -2.085829     -4.654020      6.093141
  C      -0.807748     -3.856103      5.762961
  C      -2.967551     -3.778923      6.976271
  H      -0.670477      1.199613      0.513700
  H      -1.770590     -0.048340     -0.320259
  H      -0.907461     -0.114435      3.779389
  H       0.167418      0.830052      2.716085
  H       0.473536     -0.900565      3.015690
  H      -1.377772     -2.501398      2.461374
  H      -1.813159     -2.341009      0.752622
  H      -3.955525     -0.020104      1.041467
  H      -5.313241     -1.110763      1.414384
  H      -4.170171     -1.504362      0.104519
  H      -4.572021     -0.959169      3.776283
  H      -2.929127     -1.454858      4.272843
  H      -3.168975      0.011152      3.291857
  H      -5.905368     -6.502146      6.282877
  H      -6.225186     -5.465949      7.789708
  H      -9.552407     -4.812762      7.118652
  H      -8.753713     -3.430880      6.374719
  H      -8.154783     -4.064481      7.933132
  H      -7.898293     -6.800166      4.706977
  H      -9.171946     -5.583027      4.731722
  H      -8.206019     -6.436330      2.182135
  H      -7.651116     -4.890845      1.480322
  H      -9.176633     -4.978038      2.392891
  H      -8.658712     -3.211326      3.768786
  H      -7.194590     -3.090606      4.762129
  H      -7.082961     -2.916821      2.994366
  H      -3.931063     -7.316078      9.189140
  H      -2.701970     -5.941826      9.452621
  H      -3.896797     -7.318220      5.752699
  H      -2.573193     -8.431117      6.125456
  H      -4.062124     -8.459387      7.110066
  H      -1.086423     -5.486443      7.783586
  H      -0.957131     -6.524260      6.375467
  H      -0.043618     -4.471266      5.269944
  H      -0.369883     -3.461507      6.689783
  H      -1.050286     -3.006362      5.107988
  H      -3.952651     -4.227914      7.152214
  H      -2.473620     -3.661593      7.950258
  H      -3.089373     -2.779073      6.543681
  N      -4.867479     -3.077529      5.001688
  H      -5.206149     -2.389860      5.677809
85
Coordinates from ORCA-job orca E -5421.273409997030
  N      -3.826775     -3.219093      2.294845
  C      -3.863416     -3.961885      1.020256
  C      -3.086984     -5.254795      1.165573
  N      -3.626292     -5.981291      2.334360
  C      -4.809307     -6.801724      1.994845
  C      -5.739013     -6.755072      3.188747
  N      -5.973129     -5.338996      3.519079
  Mo     -4.339654     -4.271428      3.878349
  N      -2.753626     -5.062920      4.802600
  C      -1.826067     -5.821339      3.938914
  C      -2.595610     -6.761373      3.043417
  H      -1.122823     -6.410231      4.543027
  H      -1.211470     -5.129885      3.335441
  H      -3.099867     -7.520909      3.654866
  H      -1.931464     -7.280246      2.330941
  H      -6.675644     -7.275706      2.957031
  H      -5.297824     -7.290173      4.046743
  H      -5.312604     -6.349583      1.130146
  H      -4.509770     -7.828709      1.726900
  H      -3.424961     -3.371114      0.206699
  H      -4.909199     -4.168264      0.733053
  H      -2.032312     -5.017712      1.358769
  H      -3.142865     -5.878500      0.257306
  C      -1.204321      0.248541      0.562836
  C      -1.151293     -0.521995      1.659086
  C      -0.314647     -0.145137      2.850933
  C      -1.880725     -1.846165      1.731662
  C      -3.388711     -1.790582      2.155868
  C      -4.257686     -1.073193      1.109895
  C      -3.521403     -1.014098      3.460851
  C      -6.537245     -5.772669      6.788861
  C      -7.657939     -5.298925      6.225598
  C      -8.567028     -4.349777      6.955848
  C      -8.085307     -5.724018      4.839462
  C      -7.415159     -4.963959      3.651431
  C      -8.146010     -5.351146      2.345977
  C      -7.588566     -3.453790      3.811614
  C      -3.154337     -6.670818      8.776581
  C      -2.760967     -6.778105      7.499336
  C      -3.356539     -7.806859      6.580967
  C      -1.665122     -5.901847      6.946735
  C      -2.086334     -4.654358      6.093384
  C      -0.808202     -3.856708      5.763301
  C      -2.967906     -3.778736      6.976289
  H      -0.671874      1.200008      0.511720
  H      -1.771493     -0.048838     -0.321388
  H      -0.906610     -0.114974      3.778506
  H       0.164992      0.832707      2.714850
  H       0.475402     -0.897446      3.012916
  H      -1.376726     -2.500934      2.460458
  H      -1.812963     -2.340705      0.751874
  H      -3.955492     -0.020772      1.040860
  H      -5.313038     -1.110722      1.415820
  H      -4.171241     -1.505579      0.105181
  H      -4.570789     -0.959017      3.776561
  H      -2.927595     -1.454575      4.272547
  H      -3.167783      0.011086      3.291397
  H      -5.903256     -6.500069      6.281282
  H      -6.224813     -5.465092      7.788687
  H      -9.552943     -4.815858      7.119063
  H      -8.755291     -3.432800      6.376456
  H      -8.155776     -4.067782      7.933996
  H      -7.898260     -6.800032      4.705742
  H      -9.172125     -5.582973      4.731612
  H      -8.207436     -6.434218      2.181620
  H      -7.650671     -4.889247      1.480439
  H      -9.176639     -4.975017      2.392264
  H      -8.658925     -3.210704      3.771936
  H      -7.193482     -3.091203      4.763853
  H      -7.083457     -2.915032      2.996469
  H      -3.932770     -7.315969      9.188690
  H      -2.705358     -5.940251      9.452464
  H      -3.894459     -7.321827      5.752344
  H      -2.570311     -8.432948      6.128142
  H      -4.060260     -8.461397      7.111097
  H      -1.087495     -5.485844      7.784666
  H      -0.957083     -6.523880      6.376864
  H      -0.044253     -4.471836      5.270128
  H      -0.370397     -3.462407      6.690250
  H      -1.050608     -3.006563      5.108789
  H      -3.953120     -4.227249      7.152431
  H      -2.473638     -3.661277      7.949937
  H      -3.089532     -2.778898      6.543376
  N      -4.867219     -3.077161      5.001426
  H      -5.205792     -2.389527      5.677615
85
Coordinates from ORCA-job orca E -5421.273411975340
  N      -3.826065     -3.219360      2.295086
  C      -3.862652     -3.961791      1.020251
  C      -3.086409     -5.254783      1.165608
  N      -3.626050     -5.981048      2.334365
  C      -4.809139     -6.801207      1.994456
  C      -5.739639     -6.754308      3.187732
  N      -5.973529     -5.338042      3.517914
  Mo     -4.339793     -4.271275      3.878453
  N      -2.754057     -5.063277      4.802723
  C      -1.826384     -5.822044      3.939593
  C      -2.595771     -6.761554      3.043437
  H      -1.123884     -6.411475      4.544098
  H      -1.210773     -5.130937      3.336764
  H      -3.100297     -7.521139      3.654549
  H      -1.931567     -7.280232      2.330916
  H      -6.676216     -7.274697      2.955293
  H      -5.299059     -7.289297      4.046123
  H      -5.311774     -6.349180      1.129337
  H      -4.509984     -7.828412      1.726860
  H      -3.423796     -3.371011      0.206933
  H      -4.908452     -4.167742      0.732911
  H      -2.031635     -5.017953      1.358652
  H      -3.142305     -5.878653      0.257448
  C      -1.205010      0.248604      0.561774
  C      -1.151325     -0.521568      1.658307
  C      -0.313891     -0.144258      2.849310
  C      -1.880426     -1.845935      1.731408
  C      -3.388158     -1.790587      2.156101
  C      -4.257917     -1.073463      1.110588
  C      -3.520566     -1.014136      3.461198
  C      -6.535565     -5.771681      6.787832
  C      -7.657246     -5.299308      6.225251
  C      -8.566814     -4.351431      6.956753
  C      -8.085113     -5.723998      4.839121
  C      -7.415620     -4.963304      3.651163
  C      -8.147001     -5.350405      2.345986
  C      -7.588971     -3.453347      3.812427
  C      -3.156736     -6.669872      8.776365
  C      -2.761701     -6.778362      7.499659
  C      -3.354739     -7.808861      6.581756
  C      -1.665918     -5.901916      6.947457
  C      -2.087169     -4.654702      6.093592
  C      -0.808770     -3.857031      5.763891
  C      -2.968843     -3.778745      6.976156
  H      -0.672637      1.200084      0.509688
  H      -1.772453     -0.049460     -0.322027
  H      -0.904360     -0.116569      3.777821
  H       0.163358      0.834794      2.713645
  H       0.478149     -0.894861      3.009148
  H      -1.375892     -2.500665      2.459914
  H      -1.812849     -2.340312      0.751465
  H      -3.955776     -0.021087      1.040382
  H      -5.312893     -1.110461      1.417638
  H      -4.172603     -1.506657      0.106150
  H      -4.569818     -0.958487      3.777084
  H      -2.926603     -1.454591      4.272818
  H      -3.166644      0.010931      3.291647
  H      -5.900501     -6.497889      6.279757
  H      -6.223543     -5.463624      7.787686
  H      -9.552460     -4.818038      7.119762
  H      -8.755560     -3.433914      6.378302
  H      -8.155344     -4.070259      7.935120
  H      -7.897590     -6.799883      4.704910
  H      -9.171976     -5.583212      4.731992
  H      -8.209408     -6.433508      2.182189
  H      -7.650982     -4.889608      1.480206
  H      -9.177161     -4.973145      2.391987
  H      -8.659398     -3.210642      3.773813
  H      -7.192847     -3.091700      4.764567
  H      -7.084230     -2.913870      2.997529
  H      -3.934965     -7.315563      9.188043
  H      -2.709541     -5.938246      9.452149
  H      -3.891644     -7.325755      5.751358
  H      -2.567457     -8.435010      6.131117
  H      -4.058697     -8.463168      7.111635
  H      -1.088761     -5.485548      7.785478
  H      -0.957270     -6.523584      6.377981
  H      -0.044755     -4.472317      5.271032
  H      -0.371175     -3.462636      6.690848
  H      -1.050787     -3.006787      5.109378
  H      -3.954464     -4.226658      7.151572
  H      -2.474928     -3.661348      7.950057
  H      -3.089764     -2.778907      6.542983
  N      -4.867287     -3.076805      5.001380
  H      -5.206459     -2.389427      5.677557
85
Coordinates from ORCA-job orca E -5421.273414740585
  N      -3.825066     -3.219294      2.295214
  C      -3.861662     -3.961449      1.020214
  C      -3.085500     -5.254536      1.165566
  N      -3.625740     -5.980658      2.334181
  C      -4.808794     -6.800620      1.993523
  C      -5.740269     -6.753494      3.186066
  N      -5.973854     -5.337029      3.516384
  Mo     -4.339847     -4.271006      3.878387
  N      -2.754720     -5.063849      4.803255
  C      -1.826837     -5.822831      3.940512
  C      -2.596048     -6.761722      3.043547
  H      -1.124989     -6.412838      4.545286
  H      -1.210329     -5.131791      3.338463
  H      -3.101144     -7.521302      3.654139
  H      -1.931652     -7.280311      2.331163
  H      -6.676812     -7.273472      2.952578
  H      -5.300498     -7.288721      4.044742
  H      -5.310715     -6.348706      1.127926
  H      -4.509907     -7.828011      1.726382
  H      -3.422662     -3.370573      0.207027
  H      -4.907535     -4.167202      0.733003
  H      -2.030675     -5.017840      1.358651
  H      -3.141091     -5.878495      0.257461
  C      -1.206202      0.249201      0.559827
  C      -1.151378     -0.520768      1.656387
  C      -0.312908     -0.143104      2.846593
  C      -1.880158     -1.845335      1.730058
  C      -3.387283     -1.790270      2.156328
  C      -4.258566     -1.072977      1.112369
  C      -3.518156     -1.014437      3.461954
  C      -6.533979     -5.771120      6.787249
  C      -7.656217     -5.299773      6.224815
  C      -8.566129     -4.353052      6.957320
  C      -8.084280     -5.724471      4.838873
  C      -7.415926     -4.962859      3.650870
  C      -8.148288     -5.349785      2.346087
  C      -7.589515     -3.453025      3.813241
  C      -3.160611     -6.668102      8.776288
  C      -2.763091     -6.778632      7.500548
  C      -3.352735     -7.811646      6.583392
  C      -1.667178     -5.901953      6.948767
  C      -2.088207     -4.655111      6.094275
  C      -0.809392     -3.858110      5.764668
  C      -2.969833     -3.778699      6.976472
  H      -0.674406      1.200876      0.507056
  H      -1.774233     -0.049478     -0.323421
  H      -0.901760     -0.118252      3.776247
  H       0.161685      0.837330      2.711470
  H       0.481407     -0.891994      3.003911
  H      -1.374595     -2.500178      2.457733
  H      -1.813430     -2.339236      0.749807
  H      -3.956089     -0.020811      1.041049
  H      -5.312944     -1.109323      1.421568
  H      -4.175559     -1.506727      0.108021
  H      -4.567005     -0.958288      3.778949
  H      -2.923545     -1.455211      4.272893
  H      -3.163877      0.010518      3.292416
  H      -5.897895     -6.496181      6.278775
  H      -6.222540     -5.462519      7.787225
  H      -9.551652     -4.819932      7.119554
  H      -8.754572     -3.434983      6.379744
  H      -8.154912     -4.072832      7.935931
  H      -7.895784     -6.800090      4.704291
  H      -9.171229     -5.584588      4.732293
  H      -8.212251     -6.432973      2.183052
  H      -7.651518     -4.890701      1.479755
  H      -9.177764     -4.970767      2.391894
  H      -8.660060     -3.210872      3.775917
  H      -7.192394     -3.092268      4.765269
  H      -7.085736     -2.912690      2.998354
  H      -3.938726     -7.314383      9.187290
  H      -2.715888     -5.934535      9.451655
  H      -3.888076     -7.331031      5.750477
  H      -2.563661     -8.437905      6.135932
  H      -4.057348     -8.465807      7.112791
  H      -1.090598     -5.484865      7.786779
  H      -0.957712     -6.523341      6.380069
  H      -0.045890     -4.474183      5.272037
  H      -0.371538     -3.463870      6.691510
  H      -1.050515     -3.007895      5.109688
  H      -3.955569     -4.226194      7.151982
  H      -2.476026     -3.660860      7.950044
  H      -3.091026     -2.779023      6.542653
  N      -4.867397     -3.076599      5.001274
  H      -5.207697     -2.389676      5.677377
85
Coordinates from ORCA-job orca E -5421.273418209574
  N      -3.824630     -3.219092      2.295603
  C      -3.861178     -3.960842      1.020528
  C      -3.084830     -5.253865      1.165624
  N      -3.625714     -5.980042      2.333835
  C      -4.808587     -6.799924      1.992297
  C      -5.740843     -6.752809      3.184276
  N      -5.974264     -5.336331      3.515004
  Mo     -4.340065     -4.271031      3.878469
  N      -2.755079     -5.063810      4.803315
  C      -1.827370     -5.823505      3.941184
  C      -2.596676     -6.761665      3.043541
  H      -1.126474     -6.414259      4.546371
  H      -1.209808     -5.132918      3.339853
  H      -3.102469     -7.521278      3.653465
  H      -1.932046     -7.280310      2.331402
  H      -6.677291     -7.272455      2.949894
  H      -5.301630     -7.288501      4.042955
  H      -5.310052     -6.348097      1.126405
  H      -4.509760     -7.827392      1.725530
  H      -3.422529     -3.369625      0.207401
  H      -4.907072     -4.166933      0.733566
  H      -2.030064     -5.017060      1.358971
  H      -3.139853     -5.877656      0.257391
  C      -1.207191      0.249590      0.558751
  C      -1.151396     -0.520415      1.655199
  C      -0.311374     -0.143158      2.844504
  C      -1.880129     -1.845043      1.729292
  C      -3.386739     -1.789959      2.157108
  C      -4.259214     -1.072038      1.114645
  C      -3.516021     -1.014853      3.463402
  C      -6.533311     -5.773426      6.787153
  C      -7.655291     -5.301336      6.224495
  C      -8.564267     -4.354222      6.957987
  C      -8.083710     -5.725417      4.838568
  C      -7.416298     -4.962955      3.650456
  C      -8.149620     -5.349939      2.346084
  C      -7.590387     -3.453147      3.813373
  C      -3.165128     -6.664231      8.776088
  C      -2.764824     -6.777511      7.501263
  C      -3.350665     -7.813385      6.585116
  C      -1.668524     -5.901374      6.949579
  C      -2.088718     -4.654770      6.094397
  C      -0.809034     -3.858973      5.764858
  C      -2.969897     -3.777420      6.975731
  H      -0.675697      1.201428      0.505437
  H      -1.775992     -0.049345     -0.323886
  H      -0.898179     -0.122493      3.775476
  H       0.160169      0.838873      2.710735
  H       0.485565     -0.890096      2.997948
  H      -1.373746     -2.500184      2.456158
  H      -1.814124     -2.338424      0.748675
  H      -3.956171     -0.020127      1.042441
  H      -5.312982     -1.107667      1.425796
  H      -4.178476     -1.506187      0.110337
  H      -4.564516     -0.957801      3.781360
  H      -2.921165     -1.456458      4.273730
  H      -3.161040      0.009956      3.294120
  H      -5.897148     -6.498230      6.278417
  H      -6.222165     -5.464763      7.787191
  H      -9.550828     -4.819811      7.118446
  H      -8.750472     -3.434764      6.381642
  H      -8.153036     -4.076091      7.937323
  H      -7.894817     -6.800825      4.703122
  H      -9.170835     -5.585880      4.732415
  H      -8.215647     -6.433257      2.184427
  H      -7.651843     -4.893319      1.478952
  H      -9.178258     -4.968710      2.391309
  H      -8.661088     -3.211650      3.777084
  H      -7.192583     -3.092946      4.765268
  H      -7.087818     -2.912184      2.998152
  H      -3.943229     -7.310710      9.186614
  H      -2.722915     -5.928769      9.450846
  H      -3.883068     -7.335547      5.748709
  H      -2.559629     -8.440301      6.142117
  H      -4.056937     -8.466530      7.113546
  H      -1.092316     -5.483721      7.787561
  H      -0.958594     -6.522897      6.381667
  H      -0.046001     -4.476554      5.273028
  H      -0.370985     -3.464385      6.691491
  H      -1.048624     -3.009247      5.108592
  H      -3.956140     -4.224091      7.150831
  H      -2.476693     -3.659215      7.949673
  H      -3.090504     -2.778141      6.540890
  N      -4.868116     -3.076980      5.001444
  H      -5.210035     -2.390687      5.677345
85
Coordinates from ORCA-job orca E -5421.273422919044
  N      -3.823957     -3.218444      2.295822
  C      -3.860717     -3.960003      1.020807
  C      -3.084026     -5.252916      1.165587
  N      -3.625707     -5.979550      2.333183
  C      -4.808274     -6.799450      1.990620
  C      -5.741214     -6.752425      3.182113
  N      -5.974565     -5.336052      3.513444
  Mo     -4.340182     -4.271180      3.878152
  N      -2.755690     -5.064258      4.803701
  C      -1.828027     -5.824252      3.941698
  C      -2.597300     -6.761657      3.043315
  H      -1.127783     -6.415700      4.546999
  H      -1.209927     -5.133531      3.341025
  H      -3.103903     -7.521450      3.652269
  H      -1.932332     -7.280321      2.331540
  H      -6.677652     -7.271563      2.946694
  H      -5.302768     -7.288921      4.040715
  H      -5.309379     -6.347609      1.124522
  H      -4.509166     -7.826876      1.724156
  H      -3.422980     -3.368324      0.207475
  H      -4.906691     -4.166873      0.734492
  H      -2.029478     -5.015752      1.359751
  H      -3.138122     -5.876309      0.257035
  C      -1.208706      0.250905      0.558015
  C      -1.151635     -0.519406      1.654117
  C      -0.309807     -0.142980      2.842551
  C      -1.879930     -1.844203      1.728360
  C      -3.386043     -1.789319      2.157972
  C      -4.259807     -1.070391      1.117248
  C      -3.513480     -1.015613      3.465239
  C      -6.530667     -5.772993      6.787388
  C      -7.652882     -5.301255      6.224666
  C      -8.561413     -4.354086      6.958496
  C      -8.081824     -5.726503      4.839448
  C      -7.416447     -4.963798      3.650242
  C      -8.151566     -5.351604      2.346934
  C      -7.591507     -3.453935      3.812443
  C      -3.172489     -6.659727      8.774652
  C      -2.767644     -6.776927      7.501648
  C      -3.348617     -7.816626      6.586867
  C      -1.670430     -5.901364      6.950625
  C      -2.089251     -4.654691      6.094814
  C      -0.808448     -3.860520      5.764856
  C      -2.970150     -3.776192      6.975147
  H      -0.677805      1.203075      0.504572
  H      -1.778327     -0.048015     -0.324065
  H      -0.894445     -0.127101      3.775069
  H       0.158636      0.840860      2.710417
  H       0.489887     -0.888110      2.991402
  H      -1.372483     -2.499678      2.454271
  H      -1.814709     -2.336915      0.747408
  H      -3.955891     -0.018776      1.044337
  H      -5.312881     -1.105241      1.430547
  H      -4.181652     -1.504770      0.112812
  H      -4.561575     -0.957939      3.784190
  H      -2.918511     -1.458789      4.274673
  H      -3.157886      0.009082      3.296905
  H      -5.894352     -6.497662      6.278580
  H      -6.219379     -5.463709      7.787227
  H      -9.548467     -4.818865      7.117456
  H      -8.745782     -3.433959      6.382810
  H      -8.150826     -4.077222      7.938325
  H      -7.891833     -6.801624      4.704060
  H      -9.169280     -5.588553      4.733772
  H      -8.219873     -6.435217      2.187382
  H      -7.653560     -4.897828      1.478198
  H      -9.179504     -4.968132      2.392225
  H      -8.662363     -3.213289      3.777350
  H      -7.192999     -3.093001      4.763731
  H      -7.091028     -2.913067      2.996097
  H      -3.950986     -7.306252      9.184437
  H      -2.733667     -5.921427      9.448533
  H      -3.877126     -7.342392      5.745792
  H      -2.554857     -8.444340      6.150091
  H      -4.057154     -8.468345      7.113974
  H      -1.094970     -5.483372      7.788995
  H      -0.959959     -6.523160      6.383764
  H      -0.045932     -4.480195      5.274670
  H      -0.370008     -3.464907      6.690844
  H      -1.046218     -3.011993      5.106343
  H      -3.956629     -4.222359      7.150411
  H      -2.477620     -3.657131      7.949171
  H      -3.090678     -2.777466      6.539202
  N      -4.868991     -3.077670      5.001335
  H      -5.212432     -2.392017      5.677201
85
Coordinates from ORCA-job orca E -5421.273428327311
  N      -3.824012     -3.217880      2.296200
  C      -3.860481     -3.959128      1.021160
  C      -3.083243     -5.251815      1.165690
  N      -3.625844     -5.979291      2.332289
  C      -4.808181     -6.799032      1.988645
  C      -5.741276     -6.752693      3.180047
  N      -5.974762     -5.336666      3.512385
  Mo     -4.340327     -4.272016      3.877726
  N      -2.755785     -5.064314      4.803530
  C      -1.828585     -5.825462      3.942048
  C      -2.598119     -6.761962      3.042918
  H      -1.129593     -6.417848      4.547853
  H      -1.209442     -5.135377      3.341873
  H      -3.105657     -7.521984      3.650883
  H      -1.932785     -7.280884      2.331579
  H      -6.677702     -7.271510      2.943938
  H      -5.303203     -7.290185      4.038234
  H      -5.309218     -6.346728      1.122746
  H      -4.508665     -7.826204      1.721847
  H      -3.423721     -3.366870      0.207703
  H      -4.906331     -4.167131      0.734961
  H      -2.029098     -5.014151      1.361374
  H      -3.136063     -5.874485      0.256584
  C      -1.210927      0.252992      0.558688
  C      -1.152372     -0.518424      1.653782
  C      -0.308740     -0.143703      2.841604
  C      -1.880313     -1.843404      1.727566
  C      -3.385948     -1.789029      2.159454
  C      -4.260875     -1.068649      1.120735
  C      -3.511145     -1.017028      3.467899
  C      -6.528928     -5.775040      6.787504
  C      -7.650799     -5.302051      6.224948
  C      -8.557599     -4.352931      6.958553
  C      -8.080491     -5.727718      4.840248
  C      -7.416502     -4.965172      3.650079
  C      -8.152719     -5.353928      2.347640
  C      -7.592439     -3.455134      3.811093
  C      -3.181240     -6.652879      8.772910
  C      -2.771187     -6.774664      7.501871
  C      -3.347172     -7.818592      6.588856
  C      -1.672471     -5.900533      6.951377
  C      -2.088781     -4.653995      6.094388
  C      -0.806434     -3.862849      5.763698
  C      -2.968309     -3.773118      6.973129
  H      -0.680536      1.205491      0.505923
  H      -1.781464     -0.045078     -0.323040
  H      -0.891034     -0.134170      3.775623
  H       0.156052      0.842197      2.712303
  H       0.494028     -0.886672      2.984779
  H      -1.371849     -2.499450      2.452137
  H      -1.816247     -2.335184      0.746166
  H      -3.955934     -0.017378      1.048023
  H      -5.313441     -1.102954      1.435917
  H      -4.185048     -1.502518      0.115891
  H      -4.558873     -0.959243      3.788212
  H      -2.915734     -1.462126      4.275987
  H      -3.155127      0.007758      3.300738
  H      -5.893661     -6.500681      6.278804
  H      -6.216594     -5.465873      7.786981
  H      -9.546521     -4.814926      7.115318
  H      -8.738250     -3.431279      6.383869
  H      -8.147349     -4.078533      7.939314
  H      -7.890244     -6.802738      4.704660
  H      -9.168232     -5.590492      4.734863
  H      -8.223728     -6.437781      2.190558
  H      -7.654090     -4.903201      1.477659
  H      -9.179840     -4.968052      2.392393
  H      -8.663510     -3.215016      3.777455
  H      -7.193118     -3.092798      4.761458
  H      -7.094315     -2.914887      2.992965
  H      -3.960756     -7.298273      9.182126
  H      -2.745541     -5.911820      9.445704
  H      -3.870015     -7.348114      5.742177
  H      -2.550510     -8.448154      6.159915
  H      -4.059299     -8.467672      7.114424
  H      -1.097618     -5.482447      7.790215
  H      -0.962050     -6.523444      6.385706
  H      -0.044553     -4.485401      5.275670
  H      -0.368033     -3.465867      6.689240
  H      -1.041715     -3.015606      5.102444
  H      -3.955147     -4.218268      7.149445
  H      -2.475804     -3.652967      7.947252
  H      -3.088263     -2.775159      6.535370
  N      -4.870288     -3.079457      5.001333
  H      -5.214964     -2.394414      5.677153
85
Coordinates from ORCA-job orca E -5421.273434118917
  N      -3.824016     -3.217161      2.296359
  C      -3.860370     -3.958193      1.021223
  C      -3.082689     -5.250653      1.165515
  N      -3.625992     -5.979225      2.331112
  C      -4.808176     -6.798744      1.986643
  C      -5.741001     -6.753446      3.178216
  N      -5.974973     -5.337844      3.511366
  Mo     -4.340559     -4.273048      3.876869
  N      -2.756170     -5.064968      4.803259
  C      -1.829264     -5.826956      3.942047
  C      -2.598783     -6.762394      3.041885
  H      -1.131508     -6.420341      4.548304
  H      -1.209069     -5.137247      3.342456
  H      -3.107006     -7.522915      3.648666
  H      -1.933162     -7.281201      2.330740
  H      -6.677315     -7.272277      2.941859
  H      -5.302971     -7.291481      4.036059
  H      -5.309284     -6.345653      1.121229
  H      -4.508158     -7.825539      1.718942
  H      -3.424492     -3.365457      0.207606
  H      -4.906119     -4.167042      0.735105
  H      -2.029017     -5.012524      1.362916
  H      -3.134414     -5.872613      0.255837
  C      -1.212813      0.255454      0.560528
  C      -1.153053     -0.517065      1.654767
  C      -0.308361     -0.143722      2.842261
  C      -1.880165     -1.842423      1.727928
  C      -3.385848     -1.788645      2.160664
  C      -4.260919     -1.067081      1.122660
  C      -3.510303     -1.017946      3.469970
  C      -6.525200     -5.775412      6.787456
  C      -7.647293     -5.301672      6.226154
  C      -8.552323     -4.350778      6.959470
  C      -8.078742     -5.728466      4.842330
  C      -7.416756     -4.966995      3.650252
  C      -8.154522     -5.357672      2.349300
  C      -7.593574     -3.456796      3.808760
  C      -3.191464     -6.645947      8.769911
  C      -2.775234     -6.772910      7.501525
  C      -3.346401     -7.821080      6.590304
  C      -1.674633     -5.900452      6.952013
  C      -2.088357     -4.653877      6.093707
  C      -0.804428     -3.865508      5.762021
  C      -2.966767     -3.770276      6.970813
  H      -0.682896      1.208259      0.508596
  H      -1.783775     -0.041673     -0.321137
  H      -0.888747     -0.140200      3.777592
  H       0.152839      0.844282      2.715633
  H       0.497362     -0.884586      2.980459
  H      -1.371213     -2.498699      2.452065
  H      -1.816317     -2.333900      0.746381
  H      -3.955472     -0.015887      1.050554
  H      -5.313301     -1.101197      1.438209
  H      -4.185643     -1.500374      0.117493
  H      -4.557969     -0.960070      3.790447
  H      -2.915312     -1.465103      4.277373
  H      -3.153832      0.006926      3.304332
  H      -5.891596     -6.502464      6.278720
  H      -6.210693     -5.466400      7.786186
  H      -9.542569     -4.809973      7.115019
  H      -8.729968     -3.428183      6.385619
  H      -8.142501     -4.078504      7.940919
  H      -7.888269     -6.803542      4.707166
  H      -9.166795     -5.592098      4.737949
  H      -8.227786     -6.441783      2.195125
  H      -7.656214     -4.909656      1.477722
  H      -9.181112     -4.970079      2.394152
  H      -8.664860     -3.217250      3.776857
  H      -7.193028     -3.091529      4.757427
  H      -7.098056     -2.918097      2.988083
  H      -3.972626     -7.289709      9.178613
  H      -2.758811     -5.902027      9.441585
  H      -3.862575     -7.354374      5.737460
  H      -2.547168     -8.453284      6.170318
  H      -4.062818     -8.466529      7.114317
  H      -1.100449     -5.482780      7.791584
  H      -0.964511     -6.524671      6.387382
  H      -0.042479     -4.490826      5.277557
  H      -0.366941     -3.465796      6.686836
  H      -1.037432     -3.020295      5.097399
  H      -3.953837     -4.214375      7.148268
  H      -2.474187     -3.648838      7.944878
  H      -3.085712     -2.773049      6.531485
  N      -4.871524     -3.081265      5.000875
  H      -5.216243     -2.396325      5.676852
85
Coordinates from ORCA-job orca E -5421.273440123268
  N      -3.824357     -3.216861      2.296409
  C      -3.860390     -3.957498      1.020952
  C      -3.082330     -5.249766      1.165079
  N      -3.625908     -5.979330      2.329924
  C      -4.808114     -6.798608      1.985031
  C      -5.740277     -6.754745      3.177127
  N      -5.974929     -5.339467      3.510771
  Mo     -4.340896     -4.274285      3.875988
  N      -2.756560     -5.065840      4.802731
  C      -1.829724     -5.828620      3.941966
  C      -2.598962     -6.762978      3.040475
  H      -1.133349     -6.423053      4.548809
  H      -1.208038     -5.139449      3.343196
  H      -3.107415     -7.524304      3.646117
  H      -1.933036     -7.281219      2.329184
  H      -6.676481     -7.274118      2.941174
  H      -5.301603     -7.292815      4.034680
  H      -5.309573     -6.344445      1.120375
  H      -4.507814     -7.824958      1.715802
  H      -3.424823     -3.364447      0.207407
  H      -4.905964     -4.166623      0.734429
  H      -2.029013     -5.011339      1.363788
  H      -3.133361     -5.871226      0.255007
  C      -1.215458      0.258921      0.563433
  C      -1.154269     -0.515495      1.656212
  C      -0.308678     -0.143945      2.843538
  C      -1.880674     -1.841222      1.727972
  C      -3.386235     -1.788634      2.161831
  C      -4.261852     -1.066064      1.124982
  C      -3.509699     -1.019338      3.472007
  C      -6.520683     -5.774715      6.786539
  C      -7.643453     -5.300643      6.227122
  C      -8.546669     -4.347654      6.959922
  C      -8.077028     -5.728682      4.844291
  C      -7.416733     -4.968827      3.650486
  C      -8.155367     -5.362102      2.351001
  C      -7.593855     -3.458414      3.806288
  C      -3.202586     -6.638949      8.766776
  C      -2.779994     -6.771055      7.501023
  C      -3.346716     -7.823280      6.591559
  C      -1.677143     -5.900534      6.952745
  C      -2.087958     -4.654264      6.092686
  C      -0.802435     -3.869058      5.760176
  C      -2.964586     -3.767312      6.968120
  H      -0.685756      1.211926      0.512837
  H      -1.786913     -0.036670     -0.318466
  H      -0.887195     -0.146354      3.779984
  H       0.149127      0.846003      2.719967
  H       0.499659     -0.882728      2.977095
  H      -1.371177     -2.498069      2.451007
  H      -1.817578     -2.331734      0.746057
  H      -3.956474     -0.014773      1.054304
  H      -5.314264     -1.100726      1.440764
  H      -4.186695     -1.498041      0.119187
  H      -4.557254     -0.961982      3.793158
  H      -2.914344     -1.468126      4.278237
  H      -3.153089      0.005718      3.307744
  H      -5.888670     -6.502976      6.277468
  H      -6.203233     -5.465681      7.784290
  H      -9.538294     -4.804110      7.115221
  H      -8.722071     -3.424363      6.386466
  H      -8.136604     -4.076824      7.941695
  H      -7.886456     -6.803946      4.710021
  H      -9.165206     -5.592732      4.741161
  H      -8.229787     -6.446548      2.199541
  H      -7.657640     -4.915927      1.478181
  H      -9.181738     -4.973848      2.395896
  H      -8.665268     -3.218927      3.776255
  H      -7.191585     -3.089918      4.753070
  H      -7.100367     -2.921867      2.983047
  H      -3.986069     -7.280210      9.174782
  H      -2.772555     -5.892586      9.437483
  H      -3.855751     -7.360223      5.732564
  H      -2.545421     -8.458978      6.180842
  H      -4.067867     -8.464425      7.114275
  H      -1.103531     -5.483260      7.792955
  H      -0.967421     -6.526298      6.389317
  H      -0.040317     -4.496812      5.279105
  H      -0.366546     -3.466863      6.684700
  H      -1.033305     -3.025317      5.092788
  H      -3.951963     -4.209985      7.147390
  H      -2.470957     -3.644493      7.941675
  H      -3.082219     -2.770751      6.526892
  N      -4.872491     -3.083226      5.000501
  H      -5.216423     -2.398203      5.676766
85
Coordinates from ORCA-job orca E -5421.273445091743
  N      -3.824665     -3.216667      2.296078
  C      -3.860187     -3.956858      1.020204
  C      -3.082203     -5.249131      1.164285
  N      -3.625890     -5.979208      2.328818
  C      -4.808247     -6.798202      1.983686
  C      -5.739651     -6.755820      3.176320
  N      -5.975136     -5.340759      3.510181
  Mo     -4.341532     -4.275040      3.875032
  N      -2.757233     -5.066734      4.801997
  C      -1.830336     -5.830117      3.941858
  C      -2.599150     -6.763392      3.038986
  H      -1.135264     -6.425466      4.549368
  H      -1.207028     -5.141511      3.344098
  H      -3.107675     -7.525435      3.643708
  H      -1.933027     -7.280854      2.327308
  H      -6.675509     -7.276135      2.941174
  H      -5.299872     -7.293226      4.033685
  H      -5.310112     -6.342898      1.119883
  H      -4.507939     -7.824141      1.712688
  H      -3.423928     -3.363701      0.207071
  H      -4.905654     -4.165309      0.732886
  H      -2.028968     -5.010822      1.363553
  H      -3.133157     -5.870493      0.254111
  C      -1.216064      0.261262      0.566896
  C      -1.154597     -0.514661      1.658684
  C      -0.309298     -0.144181      2.846333
  C      -1.880657     -1.840623      1.729132
  C      -3.386628     -1.788502      2.161984
  C      -4.261551     -1.065923      1.124415
  C      -3.511205     -1.019248      3.472227
  C      -6.517571     -5.777847      6.785914
  C      -7.639902     -5.301045      6.228466
  C      -8.539908     -4.345519      6.961830
  C      -8.076360     -5.728690      4.846187
  C      -7.417331     -4.970165      3.650841
  C      -8.156942     -5.365541      2.352597
  C      -7.594705     -3.459622      3.804454
  C      -3.210803     -6.632730      8.764301
  C      -2.783386     -6.769194      7.500773
  C      -3.347152     -7.824243      6.592595
  C      -1.678856     -5.900494      6.953144
  C      -2.087962     -4.654698      6.091411
  C      -0.801351     -3.871480      5.758192
  C      -2.963212     -3.764910      6.965747
  H      -0.686385      1.214307      0.517544
  H      -1.787364     -0.033048     -0.315481
  H      -0.887124     -0.150496      3.783237
  H       0.146116      0.847172      2.725063
  H       0.500819     -0.881466      2.977606
  H      -1.371679     -2.497752      2.452373
  H      -1.816978     -2.330991      0.747070
  H      -3.957197     -0.014184      1.055015
  H      -5.314336     -1.101640      1.438628
  H      -4.184368     -1.497039      0.118384
  H      -4.558977     -0.961901      3.792571
  H      -2.916397     -1.468532      4.278758
  H      -3.154298      0.005859      3.308621
  H      -5.888524     -6.508116      6.276126
  H      -6.196970     -5.469924      7.782901
  H      -9.533048     -4.798217      7.116961
  H      -8.712228     -3.421153      6.389368
  H      -8.129174     -4.077163      7.943993
  H      -7.886654     -6.804272      4.712196
  H      -9.164548     -5.591757      4.745070
  H      -8.231929     -6.450058      2.203061
  H      -7.659997     -4.920672      1.478939
  H      -9.183071     -4.977026      2.397755
  H      -8.666285     -3.220394      3.776141
  H      -7.190916     -3.088511      4.749423
  H      -7.102567     -2.924496      2.979224
  H      -3.996462     -7.271765      9.171882
  H      -2.782444     -5.884480      9.434125
  H      -3.849252     -7.363820      5.728257
  H      -2.544948     -8.464062      6.190102
  H      -4.073086     -8.460881      7.114183
  H      -1.105334     -5.483332      7.793413
  H      -0.969602     -6.527570      6.390468
  H      -0.038659     -4.500690      5.280225
  H      -0.367407     -3.466723      6.682451
  H      -1.030934     -3.029176      5.088557
  H      -3.950824     -4.206088      7.146369
  H      -2.468510     -3.640951      7.938624
  H      -3.079314     -2.768743      6.523057
  N      -4.872967     -3.084095      4.999786
  H      -5.215075     -2.398296      5.676212
85
Coordinates from ORCA-job orca E -5421.273449844859
  N      -3.825144     -3.216833      2.295860
  C      -3.860738     -3.956507      1.019576
  C      -3.082805     -5.248788      1.163267
  N      -3.625716     -5.978980      2.328089
  C      -4.808124     -6.798153      1.983260
  C      -5.738777     -6.756934      3.176556
  N      -5.975013     -5.341847      3.510147
  Mo     -4.342129     -4.275478      3.874611
  N      -2.757831     -5.067627      4.801293
  C      -1.830488     -5.830772      3.941376
  C      -2.598601     -6.763368      3.037286
  H      -1.135972     -6.426733      4.549041
  H      -1.206142     -5.142036      3.344698
  H      -3.106438     -7.526477      3.641150
  H      -1.932306     -7.279433      2.324845
  H      -6.674415     -7.278340      2.942541
  H      -5.297583     -7.293432      4.033863
  H      -5.310762     -6.342103      1.120262
  H      -4.507892     -7.823758      1.710737
  H      -3.423804     -3.363343      0.206871
  H      -4.906199     -4.164017      0.731878
  H      -2.029404     -5.010621      1.361781
  H      -3.134399     -5.870344      0.253271
  C      -1.217336      0.264041      0.570431
  C      -1.155179     -0.514025      1.660720
  C      -0.309685     -0.145150      2.848691
  C      -1.881263     -1.840079      1.729317
  C      -3.387200     -1.788492      2.162012
  C      -4.262291     -1.065878      1.124782
  C      -3.511801     -1.019460      3.472401
  C      -6.513567     -5.777758      6.784952
  C      -7.636359     -5.300338      6.229066
  C      -8.534634     -4.343455      6.962855
  C      -8.075041     -5.728710      4.847584
  C      -7.417244     -4.971443      3.651141
  C      -8.157420     -5.369147      2.353989
  C      -7.594460     -3.460750      3.802887
  C      -3.219811     -6.626979      8.761583
  C      -2.787489     -6.767861      7.500164
  C      -3.348134     -7.825779      6.593306
  C      -1.680990     -5.901099      6.953531
  C      -2.088228     -4.655606      6.090352
  C      -0.800461     -3.874171      5.756967
  C      -2.961881     -3.763104      6.963823
  H      -0.687668      1.217185      0.522615
  H      -1.788981     -0.028660     -0.312404
  H      -0.886824     -0.154498      3.785990
  H       0.144224      0.847158      2.729671
  H       0.501490     -0.881541      2.978110
  H      -1.372445     -2.498021      2.451824
  H      -1.817754     -2.329298      0.746703
  H      -3.959225     -0.013650      1.056981
  H      -5.315388     -1.103121      1.438184
  H      -4.183726     -1.495624      0.118256
  H      -4.559568     -0.962040      3.792854
  H      -2.916813     -1.468798      4.278641
  H      -3.154464      0.005545      3.309022
  H      -5.885750     -6.508580      6.274309
  H      -6.190522     -5.469731      7.781147
  H      -9.528270     -4.794717      7.119249
  H      -8.706496     -3.419188      6.390093
  H      -8.122680     -4.075053      7.944491
  H      -7.885467     -6.804517      4.714544
  H      -9.163138     -5.591356      4.748157
  H      -8.231098     -6.454003      2.205542
  H      -7.661804     -4.924195      1.479483
  H      -9.183951     -4.981809      2.399869
  H      -8.666019     -3.221443      3.775575
  H      -7.189220     -3.087819      4.746734
  H      -7.102714     -2.927097      2.976503
  H      -4.007937     -7.263665      9.168237
  H      -2.793252     -5.877061      9.430689
  H      -3.843842     -7.368438      5.723675
  H      -2.545235     -8.469732      6.198931
  H      -4.078544     -8.458110      7.113873
  H      -1.107579     -5.484004      7.793852
  H      -0.971996     -6.529251      6.391779
  H      -0.037467     -4.504302      5.280981
  H      -0.367999     -3.468024      6.681228
  H      -1.029000     -3.032605      5.086023
  H      -3.950066     -4.202440      7.145527
  H      -2.466004     -3.638239      7.935933
  H      -3.076057     -2.767360      6.519568
  N      -4.873022     -3.084578      4.999666
  H      -5.213273     -2.398266      5.676440
85
Coordinates from ORCA-job orca E -5421.273460467363
  N      -3.825302     -3.216094      2.294784
  C      -3.861285     -3.956781      1.019083
  C      -3.082851     -5.248603      1.163483
  N      -3.624197     -5.977411      2.329932
  C      -4.806293     -6.797854      1.986673
  C      -5.736311     -6.755915      3.180466
  N      -5.973582     -5.340446      3.512400
  Mo     -4.341524     -4.272479      3.875231
  N      -2.756782     -5.064084      4.801799
  C      -1.828510     -5.826612      3.942534
  C      -2.595776     -6.760424      3.038908
  H      -1.133461     -6.421627      4.550569
  H      -1.204611     -5.137522      3.345906
  H      -3.102339     -7.523938      3.643367
  H      -1.929188     -7.275768      2.326215
  H      -6.671569     -7.278666      2.948035
  H      -5.293714     -7.290620      4.038184
  H      -5.309950     -6.342998      1.123597
  H      -4.505786     -7.823548      1.714850
  H      -3.424198     -3.364268      0.205996
  H      -4.906849     -4.164283      0.731882
  H      -2.029111     -5.009935      1.359963
  H      -3.135351     -5.871454      0.254435
  C      -1.216023      0.263574      0.567329
  C      -1.154152     -0.515169      1.657316
  C      -0.307413     -0.147482      2.844929
  C      -1.881765     -1.840490      1.725904
  C      -3.387470     -1.787612      2.158730
  C      -4.262813     -1.066728      1.120670
  C      -3.511902     -1.016516      3.467900
  C      -6.506935     -5.784382      6.784986
  C      -7.630442     -5.305217      6.232023
  C      -8.526330     -4.349066      6.969564
  C      -8.072145     -5.730888      4.850681
  C      -7.416066     -4.971435      3.654706
  C      -8.157238     -5.367950      2.357652
  C      -7.594313     -3.461103      3.808721
  C      -3.241709     -6.625144      8.750374
  C      -2.797685     -6.768063      7.493234
  C      -3.350817     -7.826438      6.582229
  C      -1.686648     -5.901720      6.955201
  C      -2.089570     -4.654385      6.092665
  C      -0.800318     -3.873268      5.763997
  C      -2.963964     -3.762050      6.965726
  H      -0.685403      1.216276      0.519663
  H      -1.788651     -0.028113     -0.315346
  H      -0.884694     -0.152967      3.781989
  H       0.149967      0.842971      2.724590
  H       0.501023     -0.886348      2.976237
  H      -1.373358     -2.499004      2.448252
  H      -1.818860     -2.329538      0.743050
  H      -3.961034     -0.014091      1.052412
  H      -5.316079     -1.105028      1.433574
  H      -4.183154     -1.496968      0.114382
  H      -4.559544     -0.958366      3.788502
  H      -2.916541     -1.463848      4.274829
  H      -3.154431      0.008038      3.302416
  H      -5.880530     -6.514511      6.271622
  H      -6.181788     -5.478027      7.781026
  H      -9.518958     -4.801379      7.129839
  H      -8.701129     -3.424978      6.397061
  H      -8.110564     -4.079948      7.949467
  H      -7.883189     -6.806486      4.715601
  H      -9.160315     -5.592614      4.753939
  H      -8.227990     -6.452512      2.206402
  H      -7.664030     -4.919668      1.483574
  H      -9.184609     -4.983406      2.405977
  H      -8.666030     -3.222558      3.781258
  H      -7.189375     -3.089958      4.753395
  H      -7.101952     -2.925616      2.983776
  H      -4.034508     -7.260680      9.150007
  H      -2.820997     -5.874646      9.422539
  H      -3.829228     -7.370302      5.702277
  H      -2.546048     -8.477806      6.203713
  H      -4.093475     -8.451923      7.094062
  H      -1.117543     -5.486360      7.799244
  H      -0.974988     -6.529069      6.395956
  H      -0.037215     -4.502005      5.286750
  H      -0.368830     -3.470717      6.690270
  H      -1.027438     -3.029274      5.095862
  H      -3.953343     -4.199929      7.144452
  H      -2.469815     -3.639230      7.938751
  H      -3.075341     -2.765470      6.522501
  N      -4.871697     -3.080294      4.999226
  H      -5.210756     -2.392897      5.675434
85
Coordinates from ORCA-job orca E -5421.273467591061
  N      -3.827233     -3.215991      2.295692
  C      -3.865148     -3.953800      1.018363
  C      -3.086402     -5.245720      1.158860
  N      -3.624834     -5.976000      2.325823
  C      -4.807188     -6.796411      1.982721
  C      -5.735892     -6.756978      3.177653
  N      -5.973269     -5.342050      3.512890
  Mo     -4.341660     -4.273599      3.875748
  N      -2.755541     -5.067938      4.798244
  C      -1.827331     -5.827302      3.936326
  C      -2.594116     -6.759827      3.030749
  H      -1.130538     -6.422603      4.542197
  H      -1.204966     -5.135752      3.341166
  H      -3.098253     -7.526266      3.633458
  H      -1.927673     -7.271333      2.315153
  H      -6.671201     -7.279742      2.945607
  H      -5.291817     -7.292954      4.033708
  H      -5.312476     -6.339856      1.121430
  H      -4.507189     -7.821453      1.708065
  H      -3.428049     -3.359681      0.206482
  H      -4.911198     -4.159779      0.732015
  H      -2.031828     -5.007446      1.352052
  H      -3.141340     -5.867488      0.249231
  C      -1.215923      0.268460      0.577245
  C      -1.154155     -0.516054      1.663397
  C      -0.305300     -0.155129      2.851860
  C      -1.884311     -1.840399      1.726796
  C      -3.389399     -1.786815      2.160757
  C      -4.265582     -1.064827      1.124398
  C      -3.512727     -1.017138      3.470817
  C      -6.510644     -5.796791      6.783251
  C      -7.632587     -5.314316      6.230057
  C      -8.526913     -4.358547      6.969729
  C      -8.073948     -5.736158      4.847462
  C      -7.416098     -4.973702      3.654220
  C      -8.155498     -5.367341      2.355106
  C      -7.595025     -3.463803      3.811598
  C      -3.255431     -6.590217      8.751590
  C      -2.802996     -6.756235      7.500316
  C      -3.353309     -7.828243      6.603853
  C      -1.685954     -5.902065      6.954903
  C      -2.084139     -4.656882      6.086353
  C      -0.792312     -3.882283      5.752189
  C      -2.951367     -3.755371      6.957522
  H      -0.683889      1.220707      0.533802
  H      -1.790494     -0.017712     -0.306173
  H      -0.883287     -0.155958      3.788235
  H       0.159315      0.831898      2.732442
  H       0.497420     -0.899613      2.984622
  H      -1.376322     -2.502844      2.446007
  H      -1.822787     -2.325079      0.741471
  H      -3.966378     -0.011095      1.059679
  H      -5.319021     -1.106591      1.436479
  H      -4.184084     -1.491667      0.116714
  H      -4.559988     -0.958581      3.792320
  H      -2.916514     -1.464263      4.277043
  H      -3.154743      0.007137      3.305372
  H      -5.885090     -6.526775      6.268803
  H      -6.185980     -5.492665      7.780094
  H      -9.518062     -4.812858      7.134251
  H      -8.705305     -3.435776      6.395669
  H      -8.107794     -4.086469      7.947503
  H      -7.886129     -6.811534      4.710240
  H      -9.161847     -5.595857      4.751051
  H      -8.220585     -6.451257      2.198077
  H      -7.664131     -4.912796      1.483432
  H      -9.184473     -4.987797      2.405054
  H      -8.666654     -3.225421      3.780300
  H      -7.193306     -3.096339      4.759010
  H      -7.098281     -2.925604      2.990823
  H      -4.054538     -7.215596      9.155195
  H      -2.836172     -5.830610      9.414384
  H      -3.799928     -7.387952      5.699670
  H      -2.551794     -8.504788      6.263495
  H      -4.119869     -8.426842      7.113260
  H      -1.112871     -5.484180      7.794876
  H      -0.978891     -6.536993      6.398421
  H      -0.034332     -4.513553      5.270786
  H      -0.354537     -3.481953      6.676455
  H      -1.019365     -3.037267      5.085720
  H      -3.942928     -4.186177      7.140977
  H      -2.453442     -3.629966      7.927885
  H      -3.057721     -2.760492      6.508988
  N      -4.868869     -3.082428      5.002141
  H      -5.204274     -2.394683      5.679729
85
Coordinates from ORCA-job orca E -5421.273479866702
  N      -3.826127     -3.216503      2.295031
  C      -3.862997     -3.955806      1.018586
  C      -3.084359     -5.247670      1.161098
  N      -3.624501     -5.976919      2.327889
  C      -4.806794     -6.797161      1.984465
  C      -5.736534     -6.755924      3.178505
  N      -5.973376     -5.340828      3.512578
  Mo     -4.341544     -4.272570      3.875727
  N      -2.756042     -5.065882      4.800148
  C      -1.828048     -5.827473      3.939910
  C      -2.595045     -6.760512      3.034946
  H      -1.132466     -6.422644      4.547376
  H      -1.204803     -5.137347      3.344030
  H      -3.100696     -7.525715      3.638019
  H      -1.928290     -7.273811      2.320926
  H      -6.672032     -7.277963      2.945667
  H      -5.293913     -7.291875      4.035335
  H      -5.310928     -6.341632      1.122002
  H      -4.506718     -7.822702      1.711855
  H      -3.425954     -3.362386      0.206169
  H      -4.908804     -4.162864      0.731950
  H      -2.030130     -5.009215      1.355694
  H      -3.138073     -5.869969      0.251754
  C      -1.216608      0.266410      0.572154
  C      -1.154939     -0.515101      1.660321
  C      -0.308453     -0.149938      2.849107
  C      -1.883244     -1.840263      1.726164
  C      -3.388642     -1.787354      2.159330
  C      -4.264426     -1.066129      1.121933
  C      -3.512905     -1.016989      3.468835
  C      -6.507802     -5.790607      6.782449
  C      -7.631279     -5.310489      6.230157
  C      -8.526676     -4.356222      6.970593
  C      -8.073283     -5.733600      4.848274
  C      -7.415824     -4.972078      3.654035
  C      -8.155711     -5.365744      2.355217
  C      -7.593775     -3.461953      3.811110
  C      -3.248475     -6.604179      8.751350
  C      -2.800733     -6.761673      7.497304
  C      -3.353526     -7.828060      6.595978
  C      -1.685629     -5.904141      6.953116
  C      -2.086323     -4.656156      6.089731
  C      -0.795957     -3.878194      5.758156
  C      -2.955907     -3.759120      6.963046
  H      -0.685961      1.219266      0.526866
  H      -1.789809     -0.022817     -0.310995
  H      -0.888710     -0.146574      3.784284
  H       0.157019      0.836389      2.726513
  H       0.493633     -0.894459      2.986324
  H      -1.374787     -2.500583      2.446950
  H      -1.820404     -2.326754      0.741908
  H      -3.964839     -0.012637      1.056105
  H      -5.317838     -1.107329      1.433861
  H      -4.182956     -1.494030      0.114776
  H      -4.560414     -0.958782      3.789654
  H      -2.917109     -1.463667      4.275764
  H      -3.155477      0.007487      3.303006
  H      -5.881510     -6.520019      6.268060
  H      -6.182809     -5.484919      7.778678
  H      -9.515993     -4.813372      7.137994
  H      -8.709179     -3.434803      6.395975
  H      -8.106114     -4.081798      7.947014
  H      -7.885772     -6.809054      4.711453
  H      -9.161346     -5.593540      4.751852
  H      -8.221053     -6.449748      2.198372
  H      -7.664494     -4.911511      1.483218
  H      -9.184745     -4.986123      2.405308
  H      -8.665258     -3.222936      3.780436
  H      -7.191233     -3.094667      4.758270
  H      -7.097845     -2.924216      2.989668
  H      -4.045651     -7.232634      9.153592
  H      -2.826491     -5.849477      9.417935
  H      -3.797743     -7.382133      5.693404
  H      -2.553391     -8.505169      6.253531
  H      -4.122218     -8.426791      7.101642
  H      -1.111207     -5.489288      7.793735
  H      -0.979399     -6.536289      6.392375
  H      -0.037236     -4.506628      5.273838
  H      -0.357822     -3.481070      6.683666
  H      -1.024441     -3.030841      5.094908
  H      -3.946462     -4.192821      7.145089
  H      -2.459009     -3.635345      7.934317
  H      -3.064919     -2.763330      6.517292
  N      -4.870234     -3.080272      5.000231
  H      -5.207188     -2.391881      5.676463
85
Coordinates from ORCA-job orca E -5421.273483798093
  N      -3.824036     -3.215697      2.294722
  C      -3.860410     -3.955139      1.018470
  C      -3.081334     -5.246882      1.161164
  N      -3.622697     -5.976770      2.326913
  C      -4.804924     -6.796654      1.982921
  C      -5.734702     -6.755082      3.176864
  N      -5.971293     -5.340353      3.511425
  Mo     -4.339098     -4.272402      3.875058
  N      -2.753672     -5.065063      4.799857
  C      -1.826556     -5.828582      3.940046
  C      -2.594336     -6.760889      3.034923
  H      -1.132180     -6.424498      4.547989
  H      -1.202660     -5.139493      3.343612
  H      -3.101536     -7.525656      3.637358
  H      -1.927480     -7.275315      2.321812
  H      -6.670395     -7.276414      2.943364
  H      -5.292755     -7.291839      4.033606
  H      -5.308554     -6.341448      1.120056
  H      -4.504551     -7.822352      1.711328
  H      -3.424526     -3.361239      0.205763
  H      -4.906057     -4.163739      0.732107
  H      -2.027585     -5.008059      1.357479
  H      -3.133739     -5.868453      0.251240
  C      -1.220026      0.265867      0.564239
  C      -1.155764     -0.512552      1.654208
  C      -0.308142     -0.143630      2.840932
  C      -1.882019     -1.838543      1.724104
  C      -3.386972     -1.786547      2.159446
  C      -4.264024     -1.064969      1.123139
  C      -3.509839     -1.016771      3.469347
  C      -6.500958     -5.801608      6.779312
  C      -7.625970     -5.320601      6.230623
  C      -8.521660     -4.370785      6.976570
  C      -8.069568     -5.738407      4.847844
  C      -7.413400     -4.972249      3.655639
  C      -8.154730     -5.360074      2.356012
  C      -7.591273     -3.462700      3.819239
  C      -3.259670     -6.598570      8.754188
  C      -2.813488     -6.755930      7.499571
  C      -3.372140     -7.817199      6.596204
  C      -1.693031     -5.904895      6.956128
  C      -2.085830     -4.655618      6.090923
  C      -0.791536     -3.883085      5.762332
  C      -2.955665     -3.754441      6.959229
  H      -0.690461      1.219060      0.515624
  H      -1.794243     -0.026264     -0.317080
  H      -0.888419     -0.134495      3.776311
  H       0.159394      0.841201      2.713206
  H       0.492524     -0.889362      2.980987
  H      -1.371549     -2.496741      2.445292
  H      -1.819791     -2.326764      0.740826
  H      -3.963742     -0.011855      1.056427
  H      -5.316839     -1.105492      1.436831
  H      -4.184619     -1.493238      0.116070
  H      -4.557090     -0.959223      3.791241
  H      -2.913252     -1.464033      4.275521
  H      -3.153357      0.008119      3.303625
  H      -5.874811     -6.528945      6.261747
  H      -6.175012     -5.499052      7.776191
  H      -9.508789     -4.831708      7.146446
  H      -8.709341     -3.448575      6.405293
  H      -8.098457     -4.097807      7.952159
  H      -7.882770     -6.813324      4.705949
  H      -9.157865     -5.598109      4.752542
  H      -8.220301     -6.443468      2.194339
  H      -7.664561     -4.901877      1.485319
  H      -9.183977     -4.980925      2.408936
  H      -8.662773     -3.223561      3.790645
  H      -7.187925     -3.099579      4.767677
  H      -7.097200     -2.921492      2.999206
  H      -4.060517     -7.222879      9.154982
  H      -2.832039     -5.848933      9.422787
  H      -3.799283     -7.367434      5.687351
  H      -2.577556     -8.506503      6.265384
  H      -4.154680     -8.403407      7.094722
  H      -1.117111     -5.493058      7.797323
  H      -0.990260     -6.541355      6.396144
  H      -0.034174     -4.515272      5.280188
  H      -0.353305     -3.487692      6.688597
  H      -1.014484     -3.035016      5.097761
  H      -3.948147     -4.184949      7.138634
  H      -2.462498     -3.630552      7.932672
  H      -3.060749     -2.759335      6.511204
  N      -4.868901     -3.080601      4.999568
  H      -5.206988     -2.392293      5.675403
85
Coordinates from ORCA-job orca E -5421.273490046329
  N      -3.824828     -3.215552      2.296878
  C      -3.862020     -3.954354      1.020306
  C      -3.082374     -5.245904      1.161902
  N      -3.622759     -5.976590      2.327573
  C      -4.804946     -6.796766      1.984144
  C      -5.734102     -6.755840      3.178615
  N      -5.970913     -5.341266      3.513424
  Mo     -4.338736     -4.273144      3.876977
  N      -2.752463     -5.065800      4.800472
  C      -1.825744     -5.828980      3.939915
  C      -2.593804     -6.760744      3.034564
  H      -1.131374     -6.425394      4.547344
  H      -1.201944     -5.139735      3.343521
  H      -3.100519     -7.526264      3.636536
  H      -1.927085     -7.274497      2.320840
  H      -6.669804     -7.277285      2.945250
  H      -5.291795     -7.292713      4.035116
  H      -5.309168     -6.341507      1.121663
  H      -4.504357     -7.822309      1.712136
  H      -3.427114     -3.359899      0.207484
  H      -4.907810     -4.163277      0.734719
  H      -2.028639     -5.006784      1.357869
  H      -3.135073     -5.867004      0.251664
  C      -1.223338      0.266166      0.563502
  C      -1.157059     -0.512454      1.653180
  C      -0.306822     -0.144008      2.838129
  C      -1.883471     -1.838351      1.724208
  C      -3.387796     -1.786417      2.161860
  C      -4.266406     -1.064451      1.127106
  C      -3.508654     -1.017170      3.472256
  C      -6.506261     -5.790752      6.781848
  C      -7.631369     -5.313743      6.229949
  C      -8.530275     -4.363382      6.971359
  C      -8.071627     -5.736184      4.847580
  C      -7.413395     -4.972788      3.654788
  C      -8.152253     -5.363726      2.354834
  C      -7.592547     -3.463008      3.814726
  C      -3.255204     -6.603778      8.753150
  C      -2.808616     -6.759641      7.498503
  C      -3.364610     -7.821533      6.594258
  C      -1.689332     -5.907053      6.955309
  C      -2.084155     -4.657164      6.091847
  C      -0.790958     -3.882777      5.763436
  C      -2.954080     -3.757691      6.961601
  H      -0.693233      1.218999      0.513849
  H      -1.799538     -0.025527     -0.316680
  H      -0.885818     -0.131814      3.774273
  H       0.163010      0.839450      2.708215
  H       0.492070     -0.891587      2.978267
  H      -1.371938     -2.496663      2.444490
  H      -1.822824     -2.326511      0.740827
  H      -3.966446     -0.011254      1.060583
  H      -5.318818     -1.105367      1.442189
  H      -4.188223     -1.492171      0.119695
  H      -4.555432     -0.959789      3.795748
  H      -2.910812     -1.464849      4.277280
  H      -3.152533      0.007824      3.306454
  H      -5.877648     -6.518360      6.267696
  H      -6.182357     -5.484309      7.778199
  H      -9.515850     -4.826865      7.143332
  H      -8.721149     -3.444427      6.395939
  H      -8.108153     -4.084715      7.945811
  H      -7.883774     -6.811407      4.709101
  H      -9.159759     -5.596955      4.749366
  H      -8.215908     -6.447465      2.194622
  H      -7.661582     -4.905957      1.484202
  H      -9.182188     -4.986170      2.405756
  H      -8.664151     -3.224579      3.783279
  H      -7.191543     -3.097554      4.763224
  H      -7.097131     -2.923346      2.994493
  H      -4.055773     -7.228979      9.153108
  H      -2.828287     -5.854450      9.422577
  H      -3.777964     -7.373146      5.678493
  H      -2.570713     -8.517771      6.276300
  H      -4.156316     -8.400380      7.086833
  H      -1.112657     -5.495999      7.796396
  H      -0.986938     -6.542146      6.393392
  H      -0.032989     -4.513185      5.279939
  H      -0.352685     -3.488275      6.690035
  H      -1.015378     -3.033891      5.100344
  H      -3.945716     -4.189612      7.142126
  H      -2.459840     -3.633855      7.934567
  H      -3.060914     -2.762464      6.514246
  N      -4.868090     -3.081847      5.002207
  H      -5.205111     -2.393236      5.678243
85
Coordinates from ORCA-job orca E -5421.273491153564
  N      -3.825106     -3.216227      2.295908
  C      -3.862569     -3.955089      1.019342
  C      -3.083131     -5.246671      1.161063
  N      -3.623499     -5.977078      2.326885
  C      -4.805852     -6.797125      1.983466
  C      -5.735160     -6.756058      3.177861
  N      -5.971874     -5.341268      3.512302
  Mo     -4.339624     -4.273493      3.876029
  N      -2.753649     -5.066480      4.799926
  C      -1.826785     -5.829401      3.939452
  C      -2.594593     -6.761176      3.033952
  H      -1.132385     -6.425866      4.546896
  H      -1.202748     -5.140109      3.343334
  H      -3.101146     -7.526776      3.635909
  H      -1.927752     -7.274777      2.320214
  H      -6.670809     -7.277743      2.944777
  H      -5.292759     -7.292534      4.034502
  H      -5.309950     -6.341743      1.120962
  H      -4.505489     -7.822716      1.711283
  H      -3.427511     -3.360925      0.206427
  H      -4.908428     -4.163631      0.733840
  H      -2.029306     -5.007709      1.356868
  H      -3.136059     -5.868009      0.250998
  C      -1.220622      0.266588      0.567174
  C      -1.156613     -0.512631      1.656665
  C      -0.309141     -0.144447      2.843672
  C      -1.883295     -1.838571      1.725623
  C      -3.388262     -1.787046      2.160903
  C      -4.266004     -1.065580      1.125101
  C      -3.510883     -1.017770      3.471150
  C      -6.507266     -5.795433      6.779644
  C      -7.631898     -5.316295      6.228780
  C      -8.529612     -4.365910      6.971551
  C      -8.073083     -5.736306      4.845888
  C      -7.414212     -4.972094      3.654030
  C      -8.153431     -5.361000      2.353654
  C      -7.591861     -3.462367      3.815791
  C      -3.251799     -6.598661      8.755873
  C      -2.806775     -6.757010      7.501012
  C      -3.364221     -7.820159      6.598926
  C      -1.687991     -5.905745      6.954945
  C      -2.083625     -4.657099      6.090169
  C      -0.790362     -3.884208      5.758551
  C      -2.950930     -3.756055      6.960944
  H      -0.690397      1.219483      0.519101
  H      -1.794923     -0.024714     -0.314481
  H      -0.890242     -0.132402      3.778437
  H       0.160914      0.839036      2.715142
  H       0.489333     -0.891999      2.985703
  H      -1.373041     -2.497242      2.446536
  H      -1.821011     -2.326342      0.742112
  H      -3.966575     -0.012155      1.058897
  H      -5.318821     -1.107010      1.438936
  H      -4.186370     -1.493348      0.117766
  H      -4.558032     -0.960503      3.793434
  H      -2.913843     -1.465314      4.276812
  H      -3.154643      0.007219      3.305803
  H      -5.879685     -6.522977      6.264228
  H      -6.182652     -5.491017      7.776392
  H      -9.515580     -4.828578      7.143473
  H      -8.719922     -3.446153      6.397115
  H      -8.106911     -4.088730      7.946213
  H      -7.886458     -6.811617      4.706094
  H      -9.160974     -5.595569      4.748256
  H      -8.217656     -6.444426      2.191946
  H      -7.662733     -4.902180      1.483660
  H      -9.183094     -4.983004      2.405313
  H      -8.663257     -3.222881      3.784930
  H      -7.190212     -3.098196      4.764569
  H      -7.095900     -2.922297      2.996052
  H      -4.052583     -7.222469      9.157917
  H      -2.823989     -5.847974      9.423269
  H      -3.775444     -7.373123      5.681677
  H      -2.571424     -8.518961      6.283729
  H      -4.157543     -8.396213      7.092410
  H      -1.109953     -5.493481      7.794456
  H      -0.986497     -6.542025      6.393079
  H      -0.033416     -4.515939      5.275379
  H      -0.351012     -3.488139      6.683931
  H      -1.015088     -3.036471      5.094267
  H      -3.942523     -4.186908      7.144104
  H      -2.454251     -3.631892      7.932543
  H      -3.057484     -2.761061      6.513035
  N      -4.869052     -3.081645      5.000623
  H      -5.205688     -2.392493      5.676258
