87
Coordinates from ORCA-job orca E -5422.507100698635
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  H      -4.094503     -2.705009      5.764740
  H      -5.286348     -3.730660      6.185000
  H      -5.489213     -2.719429      4.925900
87
Coordinates from ORCA-job orca E -5422.533784718513
  N      -3.911894     -3.379479      2.686536
  C      -3.905423     -3.958546      1.350103
  C      -3.125216     -5.254188      1.350188
  N      -3.586597     -6.069505      2.466853
  C      -4.811513     -6.814310      2.134155
  C      -5.696156     -6.916579      3.393576
  N      -5.932943     -5.604353      3.956172
  Mo     -4.022960     -4.768938      4.153605
  N      -2.060570     -5.188619      4.525651
  C      -1.472779     -6.231618      3.701482
  C      -2.541993     -6.985686      2.919665
  H      -0.932286     -6.983111      4.304829
  H      -0.727265     -5.812027      2.996203
  H      -3.010881     -7.720369      3.583146
  H      -2.090504     -7.530454      2.069988
  H      -6.623096     -7.451786      3.128252
  H      -5.179686     -7.557779      4.128383
  H      -5.363630     -6.258697      1.372979
  H      -4.569046     -7.811109      1.729156
  H      -3.438168     -3.302484      0.602830
  H      -4.940337     -4.142258      1.006700
  H      -2.072722     -5.006645      1.521914
  H      -3.217480     -5.793610      0.392445
  C      -1.715072      0.380320      1.003474
  C      -1.564320     -0.399058      2.075861
  C      -0.761350      0.058183      3.262238
  C      -2.123512     -1.795639      2.142573
  C      -3.641955     -1.931727      2.517557
  C      -4.551723     -1.309658      1.436365
  C      -3.877677     -1.106502      3.772172
  C      -7.384562     -5.820472      6.855926
  C      -8.324762     -5.367900      6.022599
  C      -9.413440     -4.439651      6.482848
  C      -8.357495     -5.777825      4.578279
  C      -7.265933     -5.079403      3.678115
  C      -7.716263     -5.279416      2.206667
  C      -7.313071     -3.562926      3.901506
  C      -3.258295     -5.514319      8.444423
  C      -2.825425     -6.043594      7.294630
  C      -3.742045     -6.794702      6.380559
  C      -1.406021     -5.907990      6.831277
  C      -1.219016     -4.864457      5.668034
  C       0.289693     -4.825772      5.326365
  C      -1.559928     -3.472826      6.206442
  H      -1.306410      1.383996      0.963850
  H      -2.250886      0.050874      0.121496
  H      -1.320487     -0.070297      4.191800
  H      -0.473749      1.107282      3.163629
  H       0.151412     -0.542525      3.341021
  H      -1.584033     -2.381271      2.895926
  H      -1.975168     -2.277540      1.169950
  H      -4.448886     -0.223461      1.449426
  H      -5.594261     -1.562042      1.645592
  H      -4.309926     -1.657342      0.430629
  H      -4.932978     -1.112391      4.032629
  H      -3.289691     -1.514515      4.582843
  H      -3.582387     -0.072143      3.587175
  H      -6.640160     -6.528709      6.516894
  H      -7.344745     -5.525563      7.899250
  H     -10.369933     -4.973990      6.488327
  H      -9.519816     -3.588539      5.805057
  H      -9.221605     -4.071375      7.493156
  H      -8.200775     -6.859717      4.499335
  H      -9.342840     -5.548251      4.159781
  H      -7.762706     -6.331770      1.919531
  H      -7.029259     -4.757055      1.537065
  H      -8.712880     -4.853745      2.064474
  H      -8.203540     -3.135637      3.434018
  H      -7.333920     -3.307378      4.960222
  H      -6.419151     -3.137125      3.442009
  H      -4.280854     -5.641817      8.784835
  H      -2.599568     -4.963693      9.105383
  H      -3.938128     -6.175423      5.473114
  H      -3.274416     -7.726438      6.046417
  H      -4.686270     -7.031817      6.873929
  H      -0.764002     -5.603565      7.664195
  H      -1.051570     -6.882509      6.471568
  H       0.702842     -5.817168      5.130662
  H       0.841214     -4.392258      6.163801
  H       0.454354     -4.200050      4.445349
  H      -2.631783     -3.384733      6.346871
  H      -1.056068     -3.294696      7.159095
  H      -1.231252     -2.717812      5.490485
  N      -4.814100     -3.369463      5.580472
  H      -4.103680     -2.779203      6.007979
  H      -5.292438     -3.835000      6.358563
  H      -5.494272     -2.734117      5.176317
87
Coordinates from ORCA-job orca E -5422.545792436727
  N      -3.925158     -3.368022      2.634898
  C      -3.928278     -3.984295      1.291252
  C      -3.141117     -5.276728      1.309020
  N      -3.593952     -6.082865      2.452699
  C      -4.826233     -6.849266      2.139063
  C      -5.697771     -6.928505      3.403558
  N      -5.947688     -5.591834      3.933623
  Mo     -4.040756     -4.738634      4.127169
  N      -2.070374     -5.165275      4.512824
  C      -1.475045     -6.223539      3.694950
  C      -2.537876     -6.993897      2.926784
  H      -0.931884     -6.967401      4.308912
  H      -0.724472     -5.813844      2.985683
  H      -3.010336     -7.719845      3.602555
  H      -2.083157     -7.555809      2.084051
  H      -6.622538     -7.483109      3.157104
  H      -5.171159     -7.550264      4.152327
  H      -5.386740     -6.312492      1.364168
  H      -4.572240     -7.853883      1.749876
  H      -3.463078     -3.352131      0.522463
  H      -4.966103     -4.175840      0.947611
  H      -2.083339     -5.024203      1.467454
  H      -3.235433     -5.837577      0.359714
  C      -1.642182      0.436516      1.049063
  C      -1.504571     -0.394692      2.093163
  C      -0.682397     -0.006953      3.295677
  C      -2.103634     -1.781370      2.108916
  C      -3.627706     -1.906643      2.497253
  C      -4.548135     -1.215865      1.461232
  C      -3.834759     -1.133754      3.799247
  C      -7.373613     -5.808556      6.865912
  C      -8.336707     -5.396724      6.026777
  C      -9.452546     -4.492972      6.482394
  C      -8.363876     -5.825419      4.582359
  C      -7.307579     -5.100531      3.656782
  C      -7.761476     -5.346215      2.191847
  C      -7.417337     -3.580225      3.853512
  C      -3.240455     -5.470832      8.471612
  C      -2.818342     -6.009687      7.314931
  C      -3.752353     -6.773464      6.421991
  C      -1.399055     -5.876827      6.829686
  C      -1.211888     -4.836984      5.660715
  C       0.291479     -4.817122      5.291501
  C      -1.521384     -3.439649      6.205770
  H      -1.205493      1.438001      1.051114
  H      -2.194191      0.151855      0.150866
  H      -1.241911     -0.158944      4.230255
  H      -0.360888      1.042056      3.241256
  H       0.217053     -0.641798      3.351264
  H      -1.566767     -2.411416      2.834844
  H      -1.968950     -2.231338      1.114719
  H      -4.423469     -0.126939      1.522640
  H      -5.597072     -1.458178      1.685916
  H      -4.340637     -1.515396      0.427483
  H      -4.895478     -1.132182      4.081286
  H      -3.234158     -1.577480      4.599759
  H      -3.527670     -0.090524      3.656492
  H      -6.600718     -6.497959      6.529586
  H      -7.335620     -5.487986      7.910651
  H     -10.402695     -5.052088      6.494667
  H      -9.587758     -3.645992      5.792803
  H      -9.270257     -4.104864      7.494006
  H      -8.171010     -6.906678      4.509809
  H      -9.366669     -5.639005      4.167819
  H      -7.770649     -6.410449      1.921908
  H      -7.096965     -4.809892      1.499532
  H      -8.780860     -4.959935      2.049699
  H      -8.342424     -3.200968      3.399057
  H      -7.430553     -3.304541      4.915443
  H      -6.556364     -3.108625      3.358415
  H      -4.270487     -5.590306      8.818608
  H      -2.567862     -4.910694      9.124943
  H      -3.954563     -6.171289      5.503989
  H      -3.293067     -7.713746      6.081535
  H      -4.700657     -6.998064      6.923221
  H      -0.741259     -5.574512      7.658291
  H      -1.050233     -6.859073      6.467345
  H       0.690631     -5.819034      5.085075
  H       0.868357     -4.390143      6.123866
  H       0.450367     -4.187718      4.403388
  H      -2.588064     -3.342063      6.393346
  H      -0.983811     -3.263441      7.147680
  H      -1.211698     -2.679117      5.475330
  N      -4.824829     -3.310556      5.585768
  H      -4.116101     -2.706823      6.008611
  H      -5.299136     -3.774623      6.374323
  H      -5.516260     -2.677779      5.182131
87
Coordinates from ORCA-job orca E -5422.551963371620
  N      -3.947634     -3.367237      2.593795
  C      -3.959593     -3.994627      1.247392
  C      -3.152889     -5.276969      1.272153
  N      -3.593042     -6.084321      2.432324
  C      -4.826136     -6.868449      2.125950
  C      -5.693452     -6.942302      3.388008
  N      -5.952445     -5.594621      3.907772
  Mo     -4.062709     -4.718080      4.101892
  N      -2.086890     -5.138890      4.508332
  C      -1.475724     -6.197404      3.690210
  C      -2.525282     -6.983471      2.922695
  H      -0.927942     -6.934373      4.308702
  H      -0.722591     -5.784446      2.985487
  H      -3.001455     -7.707771      3.599071
  H      -2.062832     -7.549379      2.085848
  H      -6.614296     -7.507701      3.148729
  H      -5.165205     -7.555483      4.143289
  H      -5.386703     -6.340178      1.343336
  H      -4.557512     -7.871795      1.740611
  H      -3.506973     -3.361301      0.466948
  H      -4.997652     -4.196928      0.909503
  H      -2.094264     -5.017036      1.422207
  H      -3.244610     -5.850258      0.329220
  C      -1.601220      0.422387      1.059650
  C      -1.473975     -0.431094      2.090530
  C      -0.641196     -0.079890      3.297394
  C      -2.102422     -1.806243      2.086319
  C      -3.624496     -1.912206      2.483627
  C      -4.530878     -1.203268      1.453137
  C      -3.818605     -1.168074      3.808159
  C      -7.380563     -5.880581      6.858583
  C      -8.337409     -5.433969      6.026903
  C      -9.436550     -4.519880      6.504147
  C      -8.371559     -5.828543      4.571071
  C      -7.316240     -5.096171      3.649604
  C      -7.778350     -5.312859      2.183659
  C      -7.394795     -3.579082      3.887099
  C      -3.234394     -5.455462      8.495169
  C      -2.812657     -5.993689      7.335564
  C      -3.746368     -6.780233      6.462523
  C      -1.399250     -5.837217      6.834538
  C      -1.228604     -4.797383      5.665719
  C       0.271649     -4.754675      5.287412
  C      -1.559980     -3.406150      6.212037
  H      -1.144667      1.417098      1.079885
  H      -2.163936      0.159386      0.158515
  H      -1.200800     -0.235857      4.234256
  H      -0.293263      0.963407      3.262768
  H       0.243885     -0.739044      3.347107
  H      -1.570669     -2.459345      2.797982
  H      -1.979834     -2.245630      1.084034
  H      -4.390032     -0.114081      1.516590
  H      -5.585040     -1.431475      1.678830
  H      -4.329677     -1.502263      0.414472
  H      -4.881483     -1.154174      4.096833
  H      -3.219204     -1.626727      4.608404
  H      -3.498649     -0.123391      3.688925
  H      -6.616515     -6.572967      6.504914
  H      -7.336154     -5.577164      7.910699
  H     -10.403323     -5.054596      6.497318
  H      -9.554197     -3.649878      5.836534
  H      -9.252078     -4.159896      7.527757
  H      -8.194953     -6.911316      4.468216
  H      -9.377338     -5.624446      4.165957
  H      -7.796742     -6.373046      1.891950
  H      -7.112659     -4.769962      1.493792
  H      -8.797955     -4.917249      2.053029
  H      -8.327402     -3.173283      3.468256
  H      -7.376882     -3.330573      4.959179
  H      -6.542894     -3.094155      3.380954
  H      -4.264719     -5.585874      8.844131
  H      -2.563016     -4.878088      9.138684
  H      -3.961442     -6.195033      5.536532
  H      -3.281842     -7.717992      6.115984
  H      -4.692064     -7.008027      6.968538
  H      -0.738993     -5.525815      7.660358
  H      -1.035193     -6.815981      6.471869
  H       0.686590     -5.750265      5.073288
  H       0.850404     -4.322100      6.118592
  H       0.416642     -4.117393      4.400040
  H      -2.626116     -3.331183      6.435305
  H      -1.007577     -3.216087      7.144863
  H      -1.286785     -2.633855      5.475992
  N      -4.860571     -3.277863      5.597969
  H      -4.165840     -2.655309      6.020582
  H      -5.325696     -3.749369      6.387578
  H      -5.569719     -2.659315      5.193059
87
Coordinates from ORCA-job orca E -5422.559050454518
  N      -3.971094     -3.358953      2.561267
  C      -3.993468     -3.989301      1.216852
  C      -3.176092     -5.265283      1.243231
  N      -3.604716     -6.070660      2.414264
  C      -4.836695     -6.867237      2.119616
  C      -5.692657     -6.940052      3.384142
  N      -5.956347     -5.586940      3.889409
  Mo     -4.085977     -4.688222      4.080517
  N      -2.108255     -5.113435      4.503954
  C      -1.489004     -6.165754      3.680752
  C      -2.530647     -6.959626      2.913762
  H      -0.936325     -6.899273      4.298731
  H      -0.736747     -5.746478      2.980167
  H      -3.011141     -7.681959      3.588705
  H      -2.065997     -7.526584      2.080271
  H      -6.612937     -7.511006      3.154217
  H      -5.162984     -7.543419      4.145270
  H      -5.398921     -6.344362      1.334733
  H      -4.556640     -7.866807      1.734833
  H      -3.553711     -3.353099      0.429608
  H      -5.031622     -4.196100      0.888662
  H      -2.116809     -5.005400      1.384946
  H      -3.270260     -5.848131      0.307140
  C      -1.565386      0.410928      1.091476
  C      -1.447120     -0.467789      2.101938
  C      -0.604188     -0.159245      3.311216
  C      -2.102431     -1.829376      2.071514
  C      -3.619452     -1.915728      2.480286
  C      -4.513121     -1.175955      1.466956
  C      -3.795647     -1.207832      3.823926
  C      -7.360380     -5.865146      6.848058
  C      -8.326141     -5.433142      6.019398
  C      -9.424061     -4.518545      6.494691
  C      -8.365146     -5.841992      4.568572
  C      -7.327205     -5.108056      3.634589
  C      -7.779389     -5.362079      2.176519
  C      -7.424814     -3.592773      3.854484
  C      -3.205005     -5.458414      8.517619
  C      -2.793264     -5.993138      7.353015
  C      -3.731457     -6.795626      6.504822
  C      -1.392276     -5.814402      6.827913
  C      -1.246683     -4.769033      5.665834
  C       0.246427     -4.702661      5.271032
  C      -1.598716     -3.389700      6.223295
  H      -1.090546      1.395097      1.133588
  H      -2.137947      0.174562      0.190537
  H      -1.161784     -0.324029      4.247531
  H      -0.231925      0.875360      3.300614
  H       0.264497     -0.840137      3.349740
  H      -1.574976     -2.508237      2.761867
  H      -1.996472     -2.251094      1.060008
  H      -4.352477     -0.090126      1.539709
  H      -5.570141     -1.386873      1.694219
  H      -4.322205     -1.466659      0.424337
  H      -4.855663     -1.180939      4.119555
  H      -3.201137     -1.687810      4.614298
  H      -3.459680     -0.164891      3.731092
  H      -6.594301     -6.553509      6.493318
  H      -7.306877     -5.545424      7.893921
  H     -10.392969     -5.048516      6.492392
  H      -9.545998     -3.652310      5.823561
  H      -9.239153     -4.150876      7.514712
  H      -8.179180     -6.923355      4.471689
  H      -9.376305     -5.656600      4.168190
  H      -7.775331     -6.428586      1.908320
  H      -7.120862     -4.825215      1.476068
  H      -8.805897     -4.990154      2.032411
  H      -8.371639     -3.207970      3.446962
  H      -7.399970     -3.333837      4.922402
  H      -6.594883     -3.089062      3.331221
  H      -4.230157     -5.601201      8.874623
  H      -2.532622     -4.867774      9.146074
  H      -3.963874     -6.224572      5.575425
  H      -3.267014     -7.730105      6.149978
  H      -4.669324     -7.025694      7.022323
  H      -0.725595     -5.498663      7.646656
  H      -1.017045     -6.786139      6.458845
  H       0.673311     -5.688551      5.040077
  H       0.831402     -4.272139      6.098479
  H       0.372326     -4.053294      4.390423
  H      -2.657921     -3.342472      6.491316
  H      -1.024981     -3.190215      7.140992
  H      -1.370664     -2.603949      5.487545
  N      -4.868052     -3.233779      5.629541
  H      -4.178250     -2.603380      6.047300
  H      -5.319511     -3.712929      6.419936
  H      -5.587795     -2.623641      5.232835
87
Coordinates from ORCA-job orca E -5422.555467123953
  N      -3.964745     -3.314251      2.565781
  C      -3.974183     -3.950174      1.195543
  C      -3.161140     -5.240914      1.221955
  N      -3.603705     -6.064103      2.399297
  C      -4.853291     -6.872634      2.083381
  C      -5.732149     -6.965769      3.351498
  N      -5.990225     -5.589867      3.887621
  Mo     -4.103041     -4.657298      4.111244
  N      -2.106048     -5.118119      4.543877
  C      -1.475956     -6.181955      3.699173
  C      -2.518526     -6.971010      2.902854
  H      -0.931652     -6.925668      4.312818
  H      -0.715983     -5.755396      3.010770
  H      -3.004345     -7.699596      3.567708
  H      -2.048541     -7.530446      2.066724
  H      -6.652248     -7.530781      3.109774
  H      -5.207822     -7.582359      4.106385
  H      -5.405925     -6.337840      1.300108
  H      -4.573091     -7.868949      1.689143
  H      -3.525531     -3.312020      0.416052
  H      -5.010749     -4.152467      0.857494
  H      -2.101944     -4.985179      1.373606
  H      -3.250761     -5.818227      0.281605
  C      -1.539372      0.418146      0.993081
  C      -1.427072     -0.429284      2.031049
  C      -0.587796     -0.084951      3.233398
  C      -2.085745     -1.789780      2.039902
  C      -3.606372     -1.859871      2.445210
  C      -4.498403     -1.147526      1.407820
  C      -3.785654     -1.106186      3.763882
  C      -7.341122     -5.911965      6.812770
  C      -8.331829     -5.474285      6.012952
  C      -9.425030     -4.572494      6.522525
  C      -8.394868     -5.869738      4.557900
  C      -7.369844     -5.111702      3.628665
  C      -7.825749     -5.339688      2.165381
  C      -7.478098     -3.598254      3.870320
  C      -3.189132     -5.514089      8.596350
  C      -2.782585     -6.042543      7.426331
  C      -3.727698     -6.848066      6.589484
  C      -1.384850     -5.858717      6.880151
  C      -1.232800     -4.800109      5.719708
  C       0.259850     -4.747157      5.320007
  C      -1.564598     -3.423920      6.299469
  H      -1.062165      1.402387      1.006182
  H      -2.109257      0.155227      0.097427
  H      -1.149587     -0.218812      4.172272
  H      -0.213143      0.948202      3.191389
  H       0.279305     -0.766285      3.296318
  H      -1.562340     -2.448401      2.752738
  H      -1.977103     -2.242229      1.042019
  H      -4.335974     -0.060318      1.448436
  H      -5.556478     -1.349325      1.638925
  H      -4.305952     -1.469654      0.374797
  H      -4.846808     -1.067622      4.053707
  H      -3.195476     -1.561334      4.570986
  H      -3.446809     -0.067730      3.636547
  H      -6.581166     -6.590717      6.426779
  H      -7.256345     -5.607991      7.862596
  H     -10.390167     -5.109413      6.535111
  H      -9.567022     -3.699332      5.864208
  H      -9.219929     -4.215495      7.542725
  H      -8.200673     -6.948383      4.446266
  H      -9.412507     -5.689765      4.171395
  H      -7.817930     -6.399814      1.875257
  H      -7.172465     -4.785439      1.473801
  H      -8.854560     -4.969952      2.031697
  H      -8.428233     -3.214702      3.469085
  H      -7.453273     -3.353849      4.942496
  H      -6.652412     -3.080927      3.354338
  H      -4.213948     -5.665796      8.957803
  H      -2.517379     -4.920238      9.223021
  H      -3.967033     -6.272880      5.661043
  H      -3.261709     -7.780265      6.229933
  H      -4.659878     -7.084036      7.115866
  H      -0.707900     -5.547958      7.692523
  H      -1.019527     -6.831633      6.504169
  H       0.673166     -5.735637      5.074886
  H       0.853345     -4.334608      6.150722
  H       0.390788     -4.088089      4.447014
  H      -2.620303     -3.367644      6.573597
  H      -0.983236     -3.245622      7.217130
  H      -1.329433     -2.630528      5.573961
  N      -4.907627     -3.186448      5.687575
  H      -4.221788     -2.556015      6.114720
  H      -5.365759     -3.669573      6.474885
  H      -5.627030     -2.571632      5.289724
87
Coordinates from ORCA-job orca E -5422.562183393672
  N      -3.993699     -3.322495      2.534278
  C      -4.020068     -3.957539      1.184276
  C      -3.194724     -5.232423      1.211191
  N      -3.617973     -6.043335      2.388156
  C      -4.849784     -6.857223      2.092723
  C      -5.704707     -6.945178      3.360413
  N      -5.975747     -5.582874      3.868707
  Mo     -4.123194     -4.638353      4.074986
  N      -2.137067     -5.085955      4.523779
  C      -1.504886     -6.131858      3.685549
  C      -2.536218     -6.927327      2.898956
  H      -0.954716     -6.867535      4.301412
  H      -0.750496     -5.698589      2.998916
  H      -3.024476     -7.651803      3.564947
  H      -2.064197     -7.487373      2.068077
  H      -6.621075     -7.520073      3.133584
  H      -5.172498     -7.540729      4.123769
  H      -5.409154     -6.333640      1.307761
  H      -4.555412     -7.849651      1.704872
  H      -3.587773     -3.317306      0.397913
  H      -5.057364     -4.165707      0.863137
  H      -2.136472     -4.973521      1.353674
  H      -3.287898     -5.820016      0.279682
  C      -1.508949      0.384780      1.055381
  C      -1.401054     -0.500748      2.058707
  C      -0.539969     -0.219753      3.259098
  C      -2.091657     -1.843389      2.029076
  C      -3.601480     -1.890869      2.459024
  C      -4.482545     -1.123882      1.458717
  C      -3.743802     -1.192242      3.806171
  C      -7.326743     -5.892337      6.816019
  C      -8.313767     -5.467826      6.010439
  C      -9.409249     -4.565439      6.507848
  C      -8.370003     -5.875180      4.560565
  C      -7.354967     -5.122981      3.621138
  C      -7.802696     -5.383982      2.167279
  C      -7.470466     -3.613165      3.847286
  C      -3.177256     -5.498345      8.576890
  C      -2.773806     -6.023355      7.406829
  C      -3.708349     -6.852473      6.586677
  C      -1.391515     -5.806247      6.850339
  C      -1.276064     -4.749437      5.695969
  C       0.210363     -4.654182      5.292201
  C      -1.660538     -3.386308      6.267208
  H      -1.009620      1.354360      1.098373
  H      -2.096413      0.164308      0.162770
  H      -1.091516     -0.372895      4.199445
  H      -0.138143      0.802083      3.250616
  H       0.307272     -0.925496      3.291526
  H      -1.570744     -2.539568      2.705859
  H      -2.012041     -2.263736      1.015660
  H      -4.291278     -0.043836      1.526285
  H      -5.541628     -1.303614      1.696128
  H      -4.310531     -1.421006      0.416411
  H      -4.796809     -1.139810      4.114390
  H      -3.152890     -1.686846      4.586099
  H      -3.383497     -0.157456      3.716166
  H      -6.561091     -6.566491      6.438241
  H      -7.247827     -5.574007      7.858942
  H     -10.375248     -5.097679      6.516107
  H      -9.548192     -3.696574      5.845802
  H      -9.212504     -4.202359      7.525669
  H      -8.171203     -6.952452      4.456816
  H      -9.388479     -5.707943      4.173624
  H      -7.779033     -6.449443      1.901216
  H      -7.153708     -4.839548      1.466303
  H      -8.834733     -5.031703      2.021579
  H      -8.431467     -3.243087      3.460728
  H      -7.432165     -3.359746      4.913553
  H      -6.663856     -3.088326      3.312949
  H      -4.192622     -5.669126      8.944882
  H      -2.512330     -4.886303      9.188914
  H      -3.963759     -6.293607      5.658759
  H      -3.232526     -7.777486      6.224752
  H      -4.632340     -7.098102      7.119856
  H      -0.719330     -5.478757      7.658636
  H      -0.999890     -6.767097      6.473942
  H       0.651425     -5.627606      5.043197
  H       0.796052     -4.227530      6.119474
  H       0.318790     -3.990357      4.422131
  H      -2.714076     -3.373935      6.564878
  H      -1.075776     -3.177656      7.174804
  H      -1.473584     -2.586678      5.537702
  N      -4.902112     -3.164333      5.691027
  H      -4.217560     -2.529916      6.109293
  H      -5.342081     -3.656320      6.477084
  H      -5.630915     -2.561931      5.302632
87
Coordinates from ORCA-job orca E -5422.565041406136
  N      -3.987148     -3.340508      2.503113
  C      -3.993934     -3.984425      1.179464
  C      -3.171053     -5.248526      1.228742
  N      -3.611002     -6.033399      2.395348
  C      -4.825174     -6.837526      2.093182
  C      -5.685997     -6.912414      3.346326
  N      -5.959811     -5.568009      3.843776
  Mo     -4.132668     -4.628816      4.044048
  N      -2.169832     -5.074596      4.535327
  C      -1.532760     -6.102414      3.710838
  C      -2.548427     -6.902111      2.925217
  H      -0.981120     -6.832647      4.332546
  H      -0.778681     -5.662587      3.027254
  H      -3.042621     -7.621702      3.592132
  H      -2.063041     -7.466952      2.104740
  H      -6.601744     -7.486680      3.119257
  H      -5.157124     -7.501138      4.117094
  H      -5.377518     -6.321391      1.299162
  H      -4.525174     -7.833309      1.716985
  H      -3.560892     -3.348853      0.391810
  H      -5.027884     -4.204564      0.854812
  H      -2.114907     -4.987082      1.382014
  H      -3.254328     -5.848407      0.303585
  C      -1.475158      0.347429      1.028338
  C      -1.393935     -0.515749      2.052743
  C      -0.573425     -0.203538      3.273726
  C      -2.074522     -1.863552      2.029233
  C      -3.597986     -1.913135      2.417171
  C      -4.458320     -1.159154      1.384486
  C      -3.785384     -1.194096      3.744094
  C      -7.314017     -6.005630      6.811153
  C      -8.285772     -5.517635      6.026734
  C      -9.357539     -4.612623      6.568173
  C      -8.357729     -5.852625      4.559844
  C      -7.335872     -5.087106      3.635110
  C      -7.818574     -5.273655      2.179519
  C      -7.409414     -3.586663      3.925223
  C      -3.165513     -5.515841      8.578219
  C      -2.783439     -6.038692      7.400519
  C      -3.725205     -6.864194      6.580753
  C      -1.409896     -5.816834      6.835733
  C      -1.316236     -4.742071      5.702029
  C       0.167101     -4.625593      5.293562
  C      -1.707768     -3.393643      6.295891
  H      -0.983103      1.321235      1.065880
  H      -2.032175      0.104066      0.122108
  H      -1.155812     -0.335289      4.198532
  H      -0.174515      0.819327      3.252975
  H       0.274375     -0.905074      3.350336
  H      -1.567259     -2.544346      2.731732
  H      -1.965358     -2.300580      1.025927
  H      -4.267569     -0.078542      1.437476
  H      -5.522855     -1.333641      1.600205
  H      -4.262702     -1.474936      0.352130
  H      -4.847330     -1.145799      4.016347
  H      -3.218361     -1.677903      4.545217
  H      -3.428571     -0.158555      3.648396
  H      -6.562335     -6.679693      6.404567
  H      -7.237320     -5.742518      7.868770
  H     -10.337735     -5.117617      6.544879
  H      -9.468094     -3.705698      5.953575
  H      -9.154499     -4.311164      7.604805
  H      -8.187824     -6.929098      4.406849
  H      -9.375127     -5.642139      4.191932
  H      -7.825727     -6.325972      1.866689
  H      -7.171763     -4.712278      1.490532
  H      -8.844666     -4.892166      2.070262
  H      -8.372634     -3.178579      3.584556
  H      -7.330051     -3.378708      4.999086
  H      -6.604119     -3.063154      3.389292
  H      -4.170385     -5.688391      8.966908
  H      -2.488446     -4.907084      9.180372
  H      -3.980967     -6.309070      5.652390
  H      -3.253534     -7.794190      6.225692
  H      -4.647750     -7.105168      7.120289
  H      -0.730164     -5.500293      7.642081
  H      -1.017977     -6.769616      6.439886
  H       0.613766     -5.591166      5.023851
  H       0.753667     -4.210610      6.126110
  H       0.266192     -3.944631      4.435375
  H      -2.748836     -3.410162      6.623910
  H      -1.098339     -3.181017      7.186888
  H      -1.557660     -2.585144      5.568496
  N      -4.934810     -3.150398      5.640100
  H      -4.262085     -2.502109      6.052575
  H      -5.371835     -3.648377      6.423735
  H      -5.670354     -2.568564      5.236101
87
Coordinates from ORCA-job orca E -5422.567001476084
  N      -3.994367     -3.336383      2.496275
  C      -4.013424     -3.977904      1.174709
  C      -3.186118     -5.241238      1.218298
  N      -3.618178     -6.025362      2.390693
  C      -4.834038     -6.831728      2.101656
  C      -5.680914     -6.905427      3.366030
  N      -5.950760     -5.558413      3.852369
  Mo     -4.128099     -4.621761      4.032989
  N      -2.176108     -5.072647      4.539146
  C      -1.533879     -6.086248      3.702076
  C      -2.550862     -6.890520      2.922079
  H      -0.966637     -6.816330      4.311029
  H      -0.791149     -5.634089      3.011871
  H      -3.038500     -7.610410      3.593926
  H      -2.065469     -7.458053      2.101360
  H      -6.600209     -7.480533      3.147839
  H      -5.146034     -7.492983      4.135152
  H      -5.398527     -6.317431      1.314089
  H      -4.538084     -7.828212      1.721349
  H      -3.596170     -3.339321      0.379137
  H      -5.051383     -4.205934      0.863279
  H      -2.128657     -4.977094      1.360945
  H      -3.275744     -5.842577      0.293488
  C      -1.451601      0.334420      1.022924
  C      -1.378918     -0.530574      2.047222
  C      -0.558745     -0.225795      3.270784
  C      -2.070456     -1.872796      2.021439
  C      -3.593413     -1.912322      2.414905
  C      -4.452193     -1.147269      1.387065
  C      -3.777632     -1.203600      3.750136
  C      -7.325891     -5.950154      6.835714
  C      -8.293727     -5.484353      6.032038
  C      -9.374499     -4.572031      6.544035
  C      -8.350871     -5.850202      4.571736
  C      -7.331882     -5.090766      3.639988
  C      -7.800174     -5.314625      2.184345
  C      -7.430832     -3.586800      3.902177
  C      -3.141459     -5.586878      8.583281
  C      -2.760778     -6.083215      7.393069
  C      -3.697952     -6.906924      6.563954
  C      -1.393439     -5.827381      6.822086
  C      -1.329063     -4.729280      5.706383
  C       0.151992     -4.553786      5.302052
  C      -1.766808     -3.404015      6.321669
  H      -0.951576      1.304548      1.061794
  H      -2.009487      0.096000      0.115334
  H      -1.146558     -0.347143      4.193881
  H      -0.146133      0.791918      3.248553
  H       0.279508     -0.938585      3.352730
  H      -1.565578     -2.560741      2.719013
  H      -1.969134     -2.306888      1.015473
  H      -4.245650     -0.069297      1.435658
  H      -5.517430     -1.306727      1.612110
  H      -4.269704     -1.468632      0.353113
  H      -4.840089     -1.159846      4.025060
  H      -3.210096     -1.696956      4.546416
  H      -3.421506     -0.167010      3.663905
  H      -6.566065     -6.627942      6.450844
  H      -7.261006     -5.663660      7.888601
  H     -10.354630     -5.077299      6.511090
  H      -9.474415     -3.672894      5.915752
  H      -9.188252     -4.256862      7.580058
  H      -8.169338     -6.928135      4.441175
  H      -9.367618     -5.657200      4.192237
  H      -7.790911     -6.374746      1.896323
  H      -7.152159     -4.761771      1.488675
  H      -8.829838     -4.948514      2.056406
  H      -8.402757     -3.203039      3.558075
  H      -7.354786     -3.361629      4.972581
  H      -6.635486     -3.057941      3.355057
  H      -4.141795     -5.780455      8.977206
  H      -2.467863     -4.979667      9.191386
  H      -3.962894     -6.345691      5.640517
  H      -3.218356     -7.830520      6.201545
  H      -4.615536     -7.162177      7.105431
  H      -0.712056     -5.514346      7.628726
  H      -0.987449     -6.765604      6.405897
  H       0.630894     -5.497552      5.010901
  H       0.724226     -4.139109      6.144960
  H       0.230219     -3.850114      4.459458
  H      -2.796086     -3.473319      6.681384
  H      -1.140767     -3.166724      7.194989
  H      -1.676520     -2.585315      5.595314
  N      -4.907507     -3.149917      5.651583
  H      -4.227850     -2.503842      6.057645
  H      -5.333881     -3.656208      6.436141
  H      -5.648523     -2.566980      5.257053
87
Coordinates from ORCA-job orca E -5422.568761223986
  N      -3.994113     -3.320498      2.488322
  C      -4.013486     -3.966676      1.164857
  C      -3.183292     -5.231796      1.211993
  N      -3.618196     -6.012825      2.391085
  C      -4.835661     -6.823689      2.103989
  C      -5.682205     -6.897313      3.373887
  N      -5.947896     -5.543794      3.855273
  Mo     -4.126842     -4.606284      4.022970
  N      -2.191960     -5.064389      4.562489
  C      -1.533428     -6.060048      3.711084
  C      -2.545545     -6.874861      2.929326
  H      -0.947586     -6.787848      4.305837
  H      -0.802855     -5.589418      3.018503
  H      -3.026025     -7.597551      3.603064
  H      -2.052949     -7.442642      2.111762
  H      -6.603295     -7.471424      3.155693
  H      -5.147631     -7.488962      4.140608
  H      -5.407110     -6.310925      1.320146
  H      -4.543232     -7.820885      1.721417
  H      -3.604468     -3.330195      0.363100
  H      -5.051802     -4.204498      0.857282
  H      -2.126263     -4.963743      1.351704
  H      -3.272069     -5.835809      0.288327
  C      -1.425748      0.321637      0.975118
  C      -1.357993     -0.536981      2.005620
  C      -0.532051     -0.231198      3.225808
  C      -2.062028     -1.872538      1.991105
  C      -3.581073     -1.895681      2.397416
  C      -4.441476     -1.122498      1.375088
  C      -3.752136     -1.180882      3.733625
  C      -7.304101     -5.912001      6.850615
  C      -8.283076     -5.470728      6.044617
  C      -9.376396     -4.568674      6.550498
  C      -8.340822     -5.855355      4.588667
  C      -7.335843     -5.089673      3.648874
  C      -7.801362     -5.333471      2.193954
  C      -7.459440     -3.584279      3.897664
  C      -3.135175     -5.687074      8.602857
  C      -2.757645     -6.142527      7.395166
  C      -3.691302     -6.950211      6.545649
  C      -1.394602     -5.853468      6.823267
  C      -1.355955     -4.721271      5.736225
  C       0.121095     -4.497278      5.335014
  C      -1.829586     -3.425389      6.390036
  H      -0.916602      1.287512      1.004473
  H      -1.989096      0.083014      0.070620
  H      -1.121401     -0.334128      4.150059
  H      -0.105644      0.780589      3.191368
  H       0.296515     -0.954696      3.313084
  H      -1.558335     -2.563243      2.686777
  H      -1.975574     -2.310901      0.985138
  H      -4.214982     -0.048271      1.415437
  H      -5.505919     -1.262896      1.616093
  H      -4.278990     -1.452192      0.340369
  H      -4.812876     -1.142698      4.018709
  H      -3.176318     -1.675832      4.523651
  H      -3.399156     -0.144047      3.642302
  H      -6.533664     -6.582141      6.472754
  H      -7.242919     -5.614054      7.900805
  H     -10.349877     -5.086622      6.515916
  H      -9.483812     -3.672607      5.919139
  H      -9.196203     -4.248743      7.586207
  H      -8.143931     -6.932117      4.470522
  H      -9.360774     -5.680275      4.209541
  H      -7.777091     -6.396777      1.917567
  H      -7.158670     -4.779037      1.494297
  H      -8.835605     -4.982361      2.060921
  H      -8.442163     -3.223044      3.561541
  H      -7.377189     -3.350193      4.965833
  H      -6.678041     -3.047488      3.337220
  H      -4.130465     -5.902883      9.000574
  H      -2.462490     -5.093873      9.225833
  H      -3.957238     -6.375622      5.630192
  H      -3.206120     -7.868196      6.175663
  H      -4.607350     -7.219184      7.084196
  H      -0.710150     -5.556010      7.633338
  H      -0.980485     -6.773476      6.376415
  H       0.619821     -5.420347      5.010579
  H       0.685577     -4.098758      6.190552
  H       0.181552     -3.764735      4.515509
  H      -2.844370     -3.544368      6.780604
  H      -1.184265     -3.175465      7.245199
  H      -1.794057     -2.593735      5.673738
  N      -4.908893     -3.143522      5.642875
  H      -4.229021     -2.494939      6.044220
  H      -5.327330     -3.657186      6.426915
  H      -5.655862     -2.566312      5.250491
87
Coordinates from ORCA-job orca E -5422.570244654039
  N      -3.987447     -3.305088      2.477352
  C      -4.007834     -3.960844      1.154682
  C      -3.178944     -5.228042      1.208518
  N      -3.617959     -5.999757      2.395295
  C      -4.833818     -6.814199      2.110743
  C      -5.680099     -6.884048      3.383028
  N      -5.943642     -5.524805      3.858187
  Mo     -4.123866     -4.586935      4.012951
  N      -2.211639     -5.059337      4.588275
  C      -1.537897     -6.034827      3.722285
  C      -2.542675     -6.858621      2.938080
  H      -0.933628     -6.759451      4.301742
  H      -0.821239     -5.544441      3.029130
  H      -3.017841     -7.584275      3.611831
  H      -2.042918     -7.424613      2.123816
  H      -6.600364     -7.458231      3.165243
  H      -5.146284     -7.476922      4.148693
  H      -5.410133     -6.304546      1.328684
  H      -4.543118     -7.812293      1.729720
  H      -3.605608     -3.330239      0.345526
  H      -5.046196     -4.206054      0.852754
  H      -2.122013     -4.958913      1.345979
  H      -3.268563     -5.837432      0.288863
  C      -1.393829      0.304808      0.919944
  C      -1.341401     -0.533442      1.968020
  C      -0.530205     -0.205608      3.192991
  C      -2.048909     -1.867006      1.970571
  C      -3.568922     -1.879125      2.368480
  C      -4.422294     -1.115896      1.332819
  C      -3.747026     -1.146159      3.694613
  C      -7.279603     -5.891620      6.860603
  C      -8.269642     -5.465308      6.059425
  C      -9.371794     -4.576476      6.570890
  C      -8.331719     -5.854168      4.604224
  C      -7.338330     -5.080323      3.660031
  C      -7.808813     -5.323151      2.204877
  C      -7.477671     -3.575528      3.906238
  C      -3.125437     -5.796699      8.625214
  C      -2.753247     -6.209310      7.400816
  C      -3.682522     -7.000137      6.531223
  C      -1.397182     -5.885762      6.828430
  C      -1.385129     -4.723423      5.768830
  C       0.085643     -4.459408      5.368996
  C      -1.886770     -3.456707      6.459103
  H      -0.882451      1.269998      0.935329
  H      -1.946605      0.050729      0.012904
  H      -1.134075     -0.282499      4.110122
  H      -0.096553      0.802361      3.140032
  H       0.292129     -0.932418      3.307101
  H      -1.551683     -2.548205      2.680106
  H      -1.960127     -2.320953      0.971855
  H      -4.182463     -0.044040      1.355317
  H      -5.487828     -1.240444      1.577794
  H      -4.264877     -1.465194      0.303685
  H      -4.809281     -1.112494      3.973089
  H      -3.174613     -1.635297      4.491110
  H      -3.396910     -0.109543      3.593928
  H      -6.500398     -6.550843      6.481484
  H      -7.219318     -5.591991      7.910504
  H     -10.339636     -5.104507      6.532118
  H      -9.486192     -3.677075      5.945518
  H      -9.193810     -4.262464      7.608808
  H      -8.125126     -6.929198      4.489045
  H      -9.354748     -5.688756      4.229165
  H      -7.780277     -6.385419      1.926148
  H      -7.170294     -4.763182      1.505738
  H      -8.845278     -4.976650      2.075878
  H      -8.468535     -3.229310      3.579254
  H      -7.388647     -3.338602      4.973439
  H      -6.707761     -3.032234      3.336576
  H      -4.114736     -6.033270      9.026270
  H      -2.452701     -5.218073      9.262136
  H      -3.948387     -6.411057      5.626418
  H      -3.190302     -7.911327      6.152607
  H      -4.596285     -7.285295      7.066580
  H      -0.709913     -5.602484      7.641362
  H      -0.974915     -6.786857      6.352519
  H       0.596906     -5.363352      5.011041
  H       0.647706     -4.079546      6.234470
  H       0.127995     -3.700752      4.572421
  H      -2.888229     -3.615862      6.872276
  H      -1.225585     -3.198948      7.299269
  H      -1.893895     -2.614675      5.753831
  N      -4.906796     -3.131187      5.628320
  H      -4.223385     -2.485517      6.027310
  H      -5.322832     -3.650383      6.409744
  H      -5.654848     -2.556302      5.236502
87
Coordinates from ORCA-job orca E -5422.571523060310
  N      -3.988364     -3.286501      2.464488
  C      -4.006209     -3.951971      1.142921
  C      -3.176998     -5.218865      1.205072
  N      -3.617934     -5.982297      2.398262
  C      -4.828352     -6.803413      2.113425
  C      -5.676256     -6.873276      3.384238
  N      -5.943167     -5.511367      3.856788
  Mo     -4.129255     -4.562971      4.002097
  N      -2.239819     -5.046341      4.613171
  C      -1.546957     -5.999612      3.734772
  C      -2.538424     -6.834364      2.944882
  H      -0.923926     -6.717490      4.301610
  H      -0.845111     -5.486538      3.044018
  H      -3.009336     -7.565344      3.615441
  H      -2.028811     -7.394450      2.133678
  H      -6.593696     -7.449439      3.164088
  H      -5.143804     -7.465860      4.150020
  H      -5.407194     -6.297234      1.331265
  H      -4.533499     -7.800508      1.734280
  H      -3.606254     -3.327162      0.328968
  H      -5.043622     -4.201689      0.843907
  H      -2.120740     -4.948074      1.343155
  H      -3.265103     -5.834406      0.290160
  C      -1.362477      0.284828      0.869837
  C      -1.317501     -0.544972      1.924492
  C      -0.497945     -0.217071      3.144142
  C      -2.040739     -1.870019      1.939069
  C      -3.557186     -1.863346      2.345228
  C      -4.407908     -1.095345      1.312358
  C      -3.720737     -1.124951      3.670098
  C      -7.244194     -5.869415      6.864298
  C      -8.250472     -5.463291      6.073175
  C      -9.361545     -4.591612      6.594499
  C      -8.321666     -5.857783      4.619516
  C      -7.342889     -5.077770      3.667107
  C      -7.821835     -5.321086      2.214069
  C      -7.490289     -3.572950      3.911679
  C      -3.120853     -5.899979      8.646977
  C      -2.750863     -6.269139      7.408724
  C      -3.669705     -7.052534      6.521614
  C      -1.405647     -5.901212      6.837658
  C      -1.425319     -4.715320      5.802360
  C       0.036474     -4.404972      5.407430
  C      -1.962222     -3.479221      6.520804
  H      -0.839324      1.243675      0.874811
  H      -1.920823      0.030591     -0.033584
  H      -1.100309     -0.275021      4.063218
  H      -0.049590      0.783556      3.078703
  H       0.313784     -0.954831      3.262246
  H      -1.547221     -2.552747      2.649792
  H      -1.964917     -2.330744      0.942577
  H      -4.148107     -0.027998      1.324707
  H      -5.472705     -1.198945      1.569493
  H      -4.267496     -1.454619      0.284663
  H      -4.780240     -1.090351      3.956863
  H      -3.143761     -1.617537      4.461461
  H      -3.368034     -0.089926      3.565708
  H      -6.455191     -6.513387      6.479599
  H      -7.180041     -5.566282      7.912802
  H     -10.322148     -5.132382      6.557610
  H      -9.489826     -3.690715      5.974113
  H      -9.181409     -4.280610      7.632749
  H      -8.105669     -6.930985      4.507722
  H      -9.349020     -5.703411      4.251958
  H      -7.791506     -6.382547      1.933446
  H      -7.188839     -4.757486      1.513174
  H      -8.860141     -4.977961      2.091728
  H      -8.488276     -3.236959      3.596352
  H      -7.389472     -3.330591      4.976903
  H      -6.732959     -3.025909      3.330137
  H      -4.101772     -6.164687      9.049821
  H      -2.453377     -5.328226      9.295570
  H      -3.938304     -6.451040      5.627680
  H      -3.163884     -7.952426      6.133270
  H      -4.579459     -7.360457      7.052061
  H      -0.720456     -5.622608      7.653784
  H      -0.966701     -6.781358      6.338578
  H       0.565297     -5.286224      5.020247
  H       0.593607     -4.037802      6.281408
  H       0.055828     -3.623612      4.632538
  H      -2.949195     -3.679910      6.950460
  H      -1.292431     -3.207772      7.349397
  H      -2.012393     -2.629888      5.824668
  N      -4.922284     -3.117578      5.611796
  H      -4.238458     -2.473063      6.010290
  H      -5.335177     -3.643178      6.390171
  H      -5.673342     -2.547189      5.220307
87
Coordinates from ORCA-job orca E -5422.572781616098
  N      -3.983609     -3.268917      2.445006
  C      -4.002317     -3.946856      1.126752
  C      -3.176872     -5.214840      1.199763
  N      -3.620446     -5.967789      2.400205
  C      -4.827576     -6.792219      2.116438
  C      -5.675188     -6.859646      3.384982
  N      -5.945555     -5.495892      3.854180
  Mo     -4.135652     -4.534856      3.989757
  N      -2.269813     -5.038191      4.634235
  C      -1.561279     -5.974097      3.747078
  C      -2.539929     -6.815923      2.950907
  H      -0.923983     -6.684678      4.306039
  H      -0.871543     -5.442123      3.059789
  H      -3.011938     -7.550172      3.617069
  H      -2.022308     -7.371245      2.142841
  H      -6.590855     -7.437061      3.164388
  H      -5.144208     -7.449631      4.152983
  H      -5.406217     -6.288233      1.332630
  H      -4.529047     -7.788991      1.740676
  H      -3.601518     -3.329966      0.307291
  H      -5.040498     -4.194965      0.832809
  H      -2.120211     -4.946464      1.338773
  H      -3.265859     -5.838385      0.291134
  C      -1.328824      0.274507      0.831488
  C      -1.296991     -0.543542      1.895378
  C      -0.488229     -0.204186      3.119132
  C      -2.025914     -1.865639      1.917183
  C      -3.543387     -1.849420      2.316273
  C      -4.385530     -1.086122      1.275876
  C      -3.705349     -1.105443      3.637383
  C      -7.196279     -5.838133      6.864313
  C      -8.224094     -5.457920      6.088608
  C      -9.343502     -4.606403      6.623779
  C      -8.309950     -5.859582      4.637260
  C      -7.349712     -5.074368      3.672474
  C      -7.838588     -5.323352      2.224151
  C      -7.506716     -3.569664      3.913111
  C      -3.111902     -5.999132      8.668599
  C      -2.747613     -6.329234      7.418224
  C      -3.657849     -7.108984      6.518993
  C      -1.416011     -5.919769      6.845882
  C      -1.463029     -4.716569      5.832085
  C      -0.009752     -4.372489      5.440096
  C      -2.022874     -3.504302      6.572761
  H      -0.802578      1.231577      0.830586
  H      -1.879388      0.012419     -0.074325
  H      -1.099807     -0.246266      4.033059
  H      -0.033605      0.792853      3.044646
  H       0.318214     -0.944624      3.254765
  H      -1.538294     -2.543841      2.636320
  H      -1.947866     -2.335037      0.925311
  H      -4.111827     -0.022005      1.274060
  H      -5.451196     -1.172086      1.535635
  H      -4.251227     -1.460601      0.252874
  H      -4.764282     -1.068814      3.924220
  H      -3.129561     -1.598010      4.430013
  H      -3.349867     -0.071486      3.531290
  H      -6.396893     -6.462813      6.469456
  H      -7.123318     -5.528938      7.910365
  H     -10.295934     -5.161603      6.594694
  H      -9.491476     -3.705874      6.007003
  H      -9.157091     -4.295079      7.660686
  H      -8.083656     -6.930814      4.528587
  H      -9.343369     -5.718470      4.281476
  H      -7.806267     -6.384830      1.944170
  H      -7.213037     -4.757938      1.518189
  H      -8.879231     -4.984826      2.109592
  H      -8.511102     -3.244415      3.606174
  H      -7.397624     -3.318600      4.975391
  H      -6.762173     -3.017973      3.320529
  H      -4.082822     -6.291447      9.075123
  H      -2.448630     -5.430490      9.324284
  H      -3.929189     -6.495762      5.636158
  H      -3.139847     -7.997149      6.119230
  H      -4.563308     -7.438266      7.044449
  H      -0.732390     -5.642885      7.663656
  H      -0.961850     -6.781435      6.328093
  H       0.529589     -5.234912      5.026374
  H       0.547537     -4.018699      6.319453
  H      -0.010493     -3.572218      4.684794
  H      -2.999628     -3.729924      7.013587
  H      -1.346821     -3.225676      7.393819
  H      -2.100369     -2.649224      5.885290
  N      -4.936693     -3.095729      5.591068
  H      -4.250493     -2.455440      5.990828
  H      -5.350302     -3.623875      6.366982
  H      -5.687406     -2.525361      5.200117
87
Coordinates from ORCA-job orca E -5422.574036882269
  N      -3.976943     -3.249073      2.423285
  C      -3.993275     -3.938132      1.109235
  C      -3.171992     -5.206740      1.194510
  N      -3.618961     -5.951682      2.399609
  C      -4.822616     -6.779760      2.114918
  C      -5.670960     -6.847151      3.379918
  N      -5.949054     -5.484165      3.847805
  Mo     -4.145133     -4.503363      3.977160
  N      -2.302267     -5.028795      4.655982
  C      -1.575731     -5.949114      3.764556
  C      -2.538520     -6.795682      2.956900
  H      -0.929957     -6.652172      4.322086
  H      -0.893017     -5.399979      3.084605
  H      -3.015177     -7.533690      3.615749
  H      -2.010816     -7.345169      2.152338
  H      -6.584077     -7.427629      3.159384
  H      -5.139976     -7.432331      4.151489
  H      -5.399150     -6.278155      1.327808
  H      -4.517714     -7.775846      1.742837
  H      -3.586126     -3.328159      0.287530
  H      -5.032328     -4.181073      0.816552
  H      -2.115143     -4.940876      1.337015
  H      -3.259804     -5.837897      0.291306
  C      -1.310316      0.273678      0.783232
  C      -1.274891     -0.542025      1.848654
  C      -0.451139     -0.205453      3.062943
  C      -2.012769     -1.859429      1.878749
  C      -3.527373     -1.834381      2.290707
  C      -4.371267     -1.066106      1.257859
  C      -3.672374     -1.095625      3.615997
  C      -7.147172     -5.813640      6.863151
  C      -8.195354     -5.455961      6.104571
  C      -9.319694     -4.622219      6.655264
  C      -8.299270     -5.863175      4.655376
  C      -7.357562     -5.074527      3.675725
  C      -7.859704     -5.328481      2.233803
  C      -7.522350     -3.570295      3.913761
  C      -3.109075     -6.097036      8.690876
  C      -2.748025     -6.390917      7.430860
  C      -3.645034     -7.174042      6.520741
  C      -1.432938     -5.934924      6.858396
  C      -1.507938     -4.716596      5.867251
  C      -0.062166     -4.330524      5.489157
  C      -2.099709     -3.531856      6.627547
  H      -0.777173      1.226850      0.775425
  H      -1.870863      0.013226     -0.116844
  H      -1.052538     -0.238682      3.983822
  H       0.011463      0.787215      2.980194
  H       0.350382     -0.952152      3.193178
  H      -1.522035     -2.539868      2.593453
  H      -1.946325     -2.329863      0.886552
  H      -4.084724     -0.005181      1.247039
  H      -5.435131     -1.136167      1.529571
  H      -4.253305     -1.447383      0.235500
  H      -4.727274     -1.056015      3.916697
  H      -3.088520     -1.593229      4.400032
  H      -3.314084     -0.062226      3.511864
  H      -6.341532     -6.422203      6.456295
  H      -7.063209     -5.499227      7.906855
  H     -10.265808     -5.188411      6.635752
  H      -9.486193     -3.722156      6.041996
  H      -9.125086     -4.310047      7.690390
  H      -8.065816     -6.932966      4.547554
  H      -9.339190     -5.732756      4.314466
  H      -7.827656     -6.389778      1.953470
  H      -7.243133     -4.762029      1.520694
  H      -8.902516     -4.993208      2.129921
  H      -8.532300     -3.253097      3.615480
  H      -7.404547     -3.310560      4.972724
  H      -6.790407     -3.013763      3.310355
  H      -4.068186     -6.421925      9.099845
  H      -2.454303     -5.524560      9.351825
  H      -3.919820     -6.549384      5.648724
  H      -3.111411     -8.047412      6.108740
  H      -4.546102     -7.527071      7.038113
  H      -0.754237     -5.654486      7.678856
  H      -0.958151     -6.776412      6.325402
  H       0.496717     -5.169615      5.054560
  H       0.487034     -3.986161      6.377340
  H      -0.082113     -3.512303      4.753537
  H      -3.072533     -3.782490      7.064573
  H      -1.430027     -3.250205      7.452986
  H      -2.195024     -2.667566      5.954304
  N      -4.960956     -3.071076      5.567943
  H      -4.273701     -2.435651      5.973713
  H      -5.380179     -3.600359      6.340186
  H      -5.708717     -2.496955      5.176558
87
Coordinates from ORCA-job orca E -5422.575142654566
  N      -3.965106     -3.232029      2.397163
  C      -3.982938     -3.930237      1.089084
  C      -3.167889     -5.201319      1.185903
  N      -3.617989     -5.939615      2.394325
  C      -4.820992     -6.769019      2.111569
  C      -5.667272     -6.834967      3.375893
  N      -5.952277     -5.473661      3.840301
  Mo     -4.155264     -4.472529      3.960906
  N      -2.332960     -5.024998      4.671589
  C      -1.590045     -5.931819      3.778686
  C      -2.539024     -6.780644      2.959594
  H      -0.940028     -6.628525      4.338533
  H      -0.910393     -5.369158      3.106681
  H      -3.021434     -7.521067      3.611675
  H      -2.002571     -7.326025      2.158324
  H      -6.579500     -7.418519      3.159778
  H      -5.133774     -7.413637      4.151076
  H      -5.396030     -6.269876      1.321432
  H      -4.512030     -7.765495      1.743197
  H      -3.568703     -3.326632      0.265499
  H      -5.024085     -4.165354      0.797822
  H      -2.110267     -4.939045      1.330334
  H      -3.255768     -5.839263      0.287186
  C      -1.294160      0.284023      0.745727
  C      -1.256828     -0.531284      1.811633
  C      -0.431104     -0.193142      3.023637
  C      -1.995508     -1.848343      1.843618
  C      -3.508134     -1.822320      2.266170
  C      -4.354819     -1.047835      1.241473
  C      -3.637235     -1.094354      3.598601
  C      -7.097489     -5.778605      6.867980
  C      -8.163911     -5.444498      6.123817
  C      -9.292208     -4.624378      6.685491
  C      -8.286502     -5.864093      4.679004
  C      -7.364658     -5.077062      3.678607
  C      -7.879993     -5.349398      2.245931
  C      -7.540850     -3.572652      3.904839
  C      -3.106163     -6.183270      8.709411
  C      -2.748194     -6.449359      7.442385
  C      -3.630998     -7.241477      6.526219
  C      -1.450360     -5.951973      6.867069
  C      -1.549936     -4.722093      5.895565
  C      -0.110003     -4.301609      5.530359
  C      -2.168047     -3.561674      6.672006
  H      -0.760893      1.237099      0.737206
  H      -1.856442      0.022699     -0.152991
  H      -1.030433     -0.222030      3.946203
  H       0.033608      0.798313      2.937897
  H       0.369248     -0.940849      3.155916
  H      -1.499946     -2.530575      2.552815
  H      -1.934510     -2.316044      0.849838
  H      -4.060004      0.010867      1.222799
  H      -5.416761     -1.106331      1.523499
  H      -4.250721     -1.434867      0.219427
  H      -4.688241     -1.049154      3.911761
  H      -3.047620     -1.601037      4.373831
  H      -3.273425     -0.061803      3.500543
  H      -6.288904     -6.377465      6.452851
  H      -7.002625     -5.454901      7.908036
  H     -10.232610     -5.200333      6.678831
  H      -9.476971     -3.728308      6.071005
  H      -9.089960     -4.305400      7.717153
  H      -8.046503     -6.933154      4.575877
  H      -9.332864     -5.745489      4.353652
  H      -7.845211     -6.413063      1.974422
  H      -7.274517     -4.786988      1.519933
  H      -8.925817     -5.021131      2.150149
  H      -8.556487     -3.266534      3.613409
  H      -7.415437     -3.298941      4.958898
  H      -6.822236     -3.012896      3.287906
  H      -4.053706     -6.538439      9.120426
  H      -2.461163     -5.602157      9.372400
  H      -3.910546     -6.608641      5.663283
  H      -3.082662     -8.100922      6.104355
  H      -4.528213     -7.614348      7.035896
  H      -0.775766     -5.664999      7.688660
  H      -0.956145     -6.775839      6.323869
  H       0.465456     -5.121105      5.080032
  H       0.432007     -3.965542      6.426139
  H      -0.143922     -3.469307      4.810989
  H      -3.143586     -3.830010      7.093175
  H      -1.511858     -3.286372      7.510671
  H      -2.266859     -2.684585      6.017063
  N      -4.986115     -3.043241      5.540662
  H      -4.297860     -2.414449      5.955970
  H      -5.416737     -3.570573      6.308242
  H      -5.726691     -2.459804      5.148040
87
Coordinates from ORCA-job orca E -5422.576023783569
  N      -3.954668     -3.218824      2.372155
  C      -3.971888     -3.921796      1.068793
  C      -3.165474     -5.198390      1.174457
  N      -3.620723     -5.932793      2.383312
  C      -4.824348     -6.762146      2.103271
  C      -5.666154     -6.827535      3.370670
  N      -5.956812     -5.467449      3.830658
  Mo     -4.168431     -4.449402      3.940234
  N      -2.362911     -5.026294      4.677950
  C      -1.605345     -5.920287      3.784392
  C      -2.543405     -6.771672      2.956280
  H      -0.950838     -6.611748      4.345264
  H      -0.928897     -5.346669      3.117888
  H      -3.028490     -7.514571      3.603484
  H      -1.999280     -7.313779      2.157731
  H      -6.577440     -7.415245      3.162111
  H      -5.126686     -7.400247      4.146575
  H      -5.400750     -6.264908      1.312729
  H      -4.514534     -7.759336      1.736389
  H      -3.549447     -3.322818      0.245383
  H      -5.014178     -4.149768      0.774558
  H      -2.106962     -4.940142      1.320630
  H      -3.253048     -5.839626      0.277517
  C      -1.265600      0.290547      0.734740
  C      -1.233309     -0.527941      1.798742
  C      -0.405266     -0.197430      3.011207
  C      -1.977506     -1.841923      1.825457
  C      -3.490896     -1.812599      2.248966
  C      -4.334193     -1.028354      1.228471
  C      -3.615443     -1.095597      3.588320
  C      -7.046430     -5.740184      6.871862
  C      -8.132013     -5.431826      6.143330
  C      -9.264188     -4.625353      6.716765
  C      -8.274281     -5.866643      4.704670
  C      -7.373406     -5.082647      3.682311
  C      -7.905526     -5.374548      2.259774
  C      -7.562810     -3.578289      3.895047
  C      -3.101771     -6.239713      8.722400
  C      -2.744708     -6.488354      7.451527
  C      -3.609462     -7.299663      6.534733
  C      -1.463728     -5.954357      6.870830
  C      -1.589495     -4.720162      5.908352
  C      -0.156083     -4.267155      5.551302
  C      -2.232776     -3.577600      6.689617
  H      -0.727092      1.240715      0.729852
  H      -1.828661      0.034243     -0.164994
  H      -1.004132     -0.222396      3.934118
  H       0.066871      0.790724      2.926893
  H       0.389757     -0.950924      3.143538
  H      -1.483884     -2.529593      2.530961
  H      -1.917289     -2.304865      0.829262
  H      -4.030792      0.027814      1.205448
  H      -5.395588     -1.076476      1.514801
  H      -4.238137     -1.419879      0.207019
  H      -4.665841     -1.043234      3.902197
  H      -3.030431     -1.613956      4.360616
  H      -3.243696     -0.064826      3.499881
  H      -6.235102     -6.329258      6.447893
  H      -6.939555     -5.406265      7.907600
  H     -10.196954     -5.213616      6.726290
  H      -9.470668     -3.735179      6.100238
  H      -9.053012     -4.297394      7.743921
  H      -8.027764     -6.935023      4.607195
  H      -9.326616     -5.759239      4.395158
  H      -7.869018     -6.440806      1.998862
  H      -7.312466     -4.817716      1.519123
  H      -8.954186     -5.052615      2.173397
  H      -8.584390     -3.284769      3.611505
  H      -7.429244     -3.292150      4.944392
  H      -6.857298     -3.016110      3.264523
  H      -4.036589     -6.624761      9.136350
  H      -2.469537     -5.643669      9.384362
  H      -3.898654     -6.667493      5.675942
  H      -3.043819     -8.147074      6.111591
  H      -4.501642     -7.689687      7.040497
  H      -0.793139     -5.653697      7.691011
  H      -0.949768     -6.764198      6.325035
  H       0.436394     -5.070864      5.094239
  H       0.377735     -3.930726      6.451964
  H      -0.203040     -3.428120      4.840333
  H      -3.214435     -3.859500      7.088084
  H      -1.595272     -3.306966      7.544252
  H      -2.327052     -2.691161      6.046845
  N      -5.015737     -3.025210      5.512719
  H      -4.327404     -2.405788      5.942809
  H      -5.462138     -3.552576      6.271825
  H      -5.745200     -2.427955      5.118440
87
Coordinates from ORCA-job orca E -5422.576758332360
  N      -3.940565     -3.209394      2.350531
  C      -3.956974     -3.915888      1.051700
  C      -3.161750     -5.200190      1.165246
  N      -3.625424     -5.929421      2.373510
  C      -4.831787     -6.754102      2.095610
  C      -5.668078     -6.817646      3.367489
  N      -5.960664     -5.457334      3.822259
  Mo     -4.179222     -4.430674      3.920022
  N      -2.389418     -5.032599      4.682942
  C      -1.621491     -5.917143      3.789995
  C      -2.552896     -6.769059      2.955071
  H      -0.964872     -6.606802      4.350941
  H      -0.945891     -5.337490      3.127382
  H      -3.040894     -7.512264      3.599600
  H      -2.003236     -7.310863      2.159911
  H      -6.578839     -7.408742      3.167015
  H      -5.122120     -7.386138      4.142318
  H      -5.410108     -6.255653      1.307014
  H      -4.526445     -7.752770      1.728100
  H      -3.525874     -3.322433      0.228248
  H      -4.999491     -4.137901      0.752013
  H      -2.101751     -4.948425      1.312622
  H      -3.250209     -5.842404      0.268759
  C      -1.238090      0.296955      0.730800
  C      -1.212241     -0.522749      1.794379
  C      -0.388460     -0.195311      3.010697
  C      -1.959004     -1.835088      1.816305
  C      -3.474352     -1.804175      2.233062
  C      -4.312086     -1.015545      1.210636
  C      -3.605174     -1.091496      3.574954
  C      -7.016136     -5.723806      6.878502
  C      -8.111050     -5.426817      6.159504
  C      -9.244922     -4.630879      6.744520
  C      -8.267939     -5.864559      4.723512
  C      -7.381519     -5.081880      3.686570
  C      -7.924637     -5.391554      2.271249
  C      -7.584015     -3.577658      3.888053
  C      -3.087677     -6.271561      8.732839
  C      -2.733834     -6.515804      7.460215
  C      -3.584078     -7.349026      6.548237
  C      -1.467642     -5.955711      6.870473
  C      -1.619877     -4.719646      5.913753
  C      -0.193896     -4.239479      5.557463
  C      -2.280434     -3.594094      6.703201
  H      -0.697318      1.245925      0.729646
  H      -1.798248      0.042854     -0.171464
  H      -0.991429     -0.218133      3.931091
  H       0.087379      0.791361      2.928683
  H       0.403554     -0.951337      3.146825
  H      -1.470130     -2.524757      2.523327
  H      -1.894444     -2.296842      0.819631
  H      -4.002677      0.038680      1.182627
  H      -5.373789     -1.056841      1.497209
  H      -4.218358     -1.413670      0.191271
  H      -4.657880     -1.034499      3.880753
  H      -3.030173     -1.616484      4.350759
  H      -3.228013     -0.062150      3.492889
  H      -6.202907     -6.306596      6.449059
  H      -6.905634     -5.388941      7.913394
  H     -10.172865     -5.226733      6.760040
  H      -9.464246     -3.740537      6.132425
  H      -9.028666     -4.304022      7.771063
  H      -8.020449     -6.932747      4.624603
  H      -9.324039     -5.759653      4.426396
  H      -7.885510     -6.460305      2.020764
  H      -7.340414     -4.840084      1.519459
  H      -8.975380     -5.075203      2.189891
  H      -8.609659     -3.296066      3.607837
  H      -7.447737     -3.283466      4.934520
  H      -6.886652     -3.013005      3.250002
  H      -4.010836     -6.676517      9.153503
  H      -2.465201     -5.658579      9.388549
  H      -3.886248     -6.724187      5.689269
  H      -3.003507     -8.188136      6.129220
  H      -4.470241     -7.750882      7.055808
  H      -0.797486     -5.642128      7.686420
  H      -0.939941     -6.754823      6.322267
  H       0.410814     -5.030785      5.094385
  H       0.335721     -3.901507      6.460224
  H      -0.253794     -3.396292      4.852489
  H      -3.266973     -3.888710      7.080485
  H      -1.658194     -3.333034      7.572060
  H      -2.368731     -2.697356      6.073904
  N      -5.039653     -3.009717      5.487291
  H      -4.350332     -2.403742      5.935459
  H      -5.505133     -3.538115      6.234628
  H      -5.753608     -2.394493      5.090958
87
Coordinates from ORCA-job orca E -5422.577367519252
  N      -3.926647     -3.204579      2.335166
  C      -3.940697     -3.911145      1.037531
  C      -3.156868     -5.204080      1.155399
  N      -3.629834     -5.930726      2.361545
  C      -4.838046     -6.751402      2.084096
  C      -5.669329     -6.814612      3.361131
  N      -5.964316     -5.452921      3.811147
  Mo     -4.190144     -4.422567      3.899972
  N      -2.416064     -5.046983      4.686794
  C      -1.637206     -5.920938      3.793675
  C      -2.562037     -6.772529      2.950489
  H      -0.978509     -6.610811      4.352279
  H      -0.962004     -5.335204      3.135771
  H      -3.052170     -7.517047      3.591699
  H      -2.006554     -7.313132      2.158558
  H      -6.578072     -7.410565      3.167998
  H      -5.115820     -7.379063      4.133732
  H      -5.419317     -6.250512      1.299203
  H      -4.538138     -7.750932      1.713919
  H      -3.500451     -3.322050      0.215450
  H      -4.982165     -4.128079      0.729318
  H      -2.095342     -4.959753      1.304710
  H      -3.246242     -5.843706      0.257086
  C      -1.218080      0.307545      0.738567
  C      -1.197495     -0.515771      1.799594
  C      -0.380641     -0.192430      3.021853
  C      -1.944372     -1.827886      1.814092
  C      -3.461330     -1.797878      2.222845
  C      -4.295317     -1.006896      1.198556
  C      -3.601717     -1.088328      3.566096
  C      -6.963253     -5.675874      6.875005
  C      -8.076152     -5.400333      6.172872
  C      -9.207837     -4.609350      6.769896
  C      -8.255096     -5.858241      4.745764
  C      -7.387845     -5.085236      3.686584
  C      -7.948172     -5.415762      2.281463
  C      -7.597517     -3.579410      3.869948
  C      -3.081903     -6.303536      8.738664
  C      -2.724598     -6.542247      7.466167
  C      -3.556685     -7.399647      6.559397
  C      -1.471135     -5.955958      6.871162
  C      -1.652301     -4.720303      5.915969
  C      -0.236246     -4.209546      5.560000
  C      -2.335173     -3.612683      6.710645
  H      -0.677443      1.256647      0.743452
  H      -1.773698      0.056593     -0.167422
  H      -0.989467     -0.218583      3.938428
  H       0.095432      0.794654      2.945802
  H       0.410659     -0.948826      3.159821
  H      -1.459963     -2.519398      2.522403
  H      -1.874868     -2.287594      0.816717
  H      -3.981985      0.045984      1.168290
  H      -5.357174     -1.045242      1.485130
  H      -4.202347     -1.409034      0.180625
  H      -4.657643     -1.030231      3.860983
  H      -3.037391     -1.618150      4.346508
  H      -3.221571     -0.059807      3.489568
  H      -6.151504     -6.255825      6.438122
  H      -6.836540     -5.327276      7.903768
  H     -10.128549     -5.215464      6.807569
  H      -9.447849     -3.727349      6.153434
  H      -8.977360     -4.270433      7.789420
  H      -8.005378     -6.926816      4.656412
  H      -9.315598     -5.759587      4.462870
  H      -7.910755     -6.487780      2.045605
  H      -7.373714     -4.874152      1.515164
  H      -9.000163     -5.101622      2.207850
  H      -8.627209     -3.308608      3.595038
  H      -7.453626     -3.272836      4.911940
  H      -6.907938     -3.018819      3.219815
  H      -3.994813     -6.730675      9.161296
  H      -2.473537     -5.674715      9.392579
  H      -3.873952     -6.787895      5.698320
  H      -2.959568     -8.231405      6.149621
  H      -4.436259     -7.812556      7.070236
  H      -0.803999     -5.627521      7.683790
  H      -0.928138     -6.743975      6.322371
  H       0.383390     -4.988159      5.094865
  H       0.286640     -3.864195      6.464055
  H      -0.312150     -3.365820      4.857392
  H      -3.325383     -3.923597      7.064571
  H      -1.730546     -3.359033      7.593885
  H      -2.419555     -2.707284      6.092758
  N      -5.065168     -3.009289      5.466848
  H      -4.375769     -2.421063      5.938623
  H      -5.551471     -3.543750      6.196639
  H      -5.761329     -2.373882      5.069871
87
Coordinates from ORCA-job orca E -5422.577848470433
  N      -3.910959     -3.199780      2.324291
  C      -3.921518     -3.907094      1.027623
  C      -3.149760     -5.208082      1.150989
  N      -3.633709     -5.930161      2.355071
  C      -4.844813     -6.744062      2.075575
  C      -5.674350     -6.806431      3.354693
  N      -5.970138     -5.442832      3.800965
  Mo     -4.199252     -4.413287      3.884979
  N      -2.438453     -5.058039      4.693263
  C      -1.652484     -5.925661      3.801341
  C      -2.572653     -6.775604      2.951181
  H      -0.994654     -6.617626      4.358852
  H      -0.975055     -5.337450      3.147894
  H      -3.066642     -7.519840      3.589625
  H      -2.012861     -7.316645      2.162897
  H      -6.581160     -7.406090      3.165893
  H      -5.116622     -7.367615      4.126578
  H      -5.426456     -6.237679      1.294387
  H      -4.551932     -7.744383      1.701891
  H      -3.470040     -3.323896      0.207081
  H      -4.961346     -4.118092      0.709279
  H      -2.086502     -4.973352      1.303511
  H      -3.240567     -5.845024      0.251042
  C      -1.202052      0.318655      0.743400
  C      -1.183128     -0.508501      1.801316
  C      -0.369681     -0.189557      3.027142
  C      -1.929298     -1.820961      1.810409
  C      -3.447441     -1.791658      2.212565
  C      -4.279027     -1.002698      1.184790
  C      -3.597021     -1.082412      3.555414
  C      -6.951425     -5.675278      6.882169
  C      -8.064382     -5.397467      6.182318
  C      -9.192694     -4.607407      6.787073
  C      -8.254826     -5.853234      4.756119
  C      -7.397525     -5.081981      3.687164
  C      -7.965925     -5.425894      2.287908
  C      -7.615612     -3.575444      3.861195
  C      -3.061888     -6.311181      8.746943
  C      -2.706998     -6.555219      7.474934
  C      -3.528159     -7.435083      6.578251
  C      -1.465170     -5.953837      6.870829
  C      -1.671362     -4.719977      5.915864
  C      -0.264591     -4.190968      5.550475
  C      -2.362813     -3.624447      6.718981
  H      -0.662186      1.268130      0.752828
  H      -1.755160      0.070755     -0.164894
  H      -0.981279     -0.222482      3.941583
  H       0.104131      0.799027      2.957263
  H       0.422923     -0.944922      3.162591
  H      -1.447769     -2.513174      2.519970
  H      -1.856172     -2.279768      0.812882
  H      -3.963383      0.049302      1.151846
  H      -5.340950     -1.039757      1.471060
  H      -4.185623     -1.408990      0.168599
  H      -4.655872     -1.024325      3.840022
  H      -3.041843     -1.614163      4.340966
  H      -3.215179     -0.054562      3.481703
  H      -6.141594     -6.259811      6.447736
  H      -6.826979     -5.328635      7.911444
  H     -10.112443     -5.214799      6.827089
  H      -9.436183     -3.723424      6.174979
  H      -8.957305     -4.272506      7.806731
  H      -8.009027     -6.922365      4.662928
  H      -9.317433     -5.750725      4.482756
  H      -7.927823     -6.499712      2.061059
  H      -7.397452     -4.889154      1.513898
  H      -9.018819     -5.114329      2.218423
  H      -8.646819     -3.313662      3.583889
  H      -7.473896     -3.262722      4.901270
  H      -6.927711     -3.015204      3.209322
  H      -3.965668     -6.747939      9.177606
  H      -2.460389     -5.667871      9.392985
  H      -3.862227     -6.840091      5.711605
  H      -2.918727     -8.261879      6.177243
  H      -4.399597     -7.855359      7.097489
  H      -0.796854     -5.614949      7.677990
  H      -0.915476     -6.734599      6.318921
  H       0.360838     -4.962825      5.081801
  H       0.259698     -3.838873      6.451175
  H      -0.355879     -3.348768      4.847973
  H      -3.356239     -3.943537      7.055692
  H      -1.768012     -3.383969      7.612323
  H      -2.440079     -2.710308      6.112838
  N      -5.088230     -3.005570      5.450178
  H      -4.399350     -2.443410      5.953480
  H      -5.604032     -3.547682      6.154165
  H      -5.759075     -2.344594      5.051267
87
Coordinates from ORCA-job orca E -5422.578193855046
  N      -3.895861     -3.200689      2.316521
  C      -3.903906     -3.907025      1.018608
  C      -3.144562     -5.215843      1.144695
  N      -3.638278     -5.935028      2.346734
  C      -4.851632     -6.743692      2.064669
  C      -5.680477     -6.804609      3.344931
  N      -5.977190     -5.438821      3.786558
  Mo     -4.208254     -4.413644      3.869789
  N      -2.461922     -5.076207      4.697480
  C      -1.668492     -5.937035      3.805808
  C      -2.583170     -6.784885      2.948134
  H      -1.010947     -6.630770      4.361738
  H      -0.989395     -5.345159      3.157427
  H      -3.081492     -7.529690      3.582528
  H      -2.019088     -7.325422      2.162887
  H      -6.585572     -7.407315      3.159553
  H      -5.120099     -7.361898      4.117689
  H      -5.432984     -6.232112      1.286501
  H      -4.564448     -7.744399      1.687720
  H      -3.441779     -3.328591      0.200402
  H      -4.942582     -4.110085      0.691463
  H      -2.079439     -4.991973      1.300433
  H      -3.238420     -5.849498      0.242854
  C      -1.192080      0.333996      0.761476
  C      -1.176406     -0.496682      1.816488
  C      -0.375391     -0.177566      3.050510
  C      -1.915719     -1.813089      1.816685
  C      -3.436985     -1.789949      2.205651
  C      -4.264033     -1.007105      1.170115
  C      -3.602491     -1.080337      3.546572
  C      -6.896656     -5.628806      6.869034
  C      -8.027691     -5.366869      6.189972
  C      -9.148167     -4.576716      6.809675
  C      -8.243550     -5.841672      4.773357
  C      -7.405532     -5.082558      3.681712
  C      -7.991005     -5.446693      2.294491
  C      -7.624301     -3.572889      3.834305
  C      -3.051883     -6.330186      8.750742
  C      -2.694695     -6.572697      7.479222
  C      -3.504374     -7.472852      6.592048
  C      -1.463321     -5.954096      6.870160
  C      -1.695282     -4.723322      5.915007
  C      -0.300364     -4.168723      5.544094
  C      -2.404222     -3.643222      6.723845
  H      -0.658091      1.286699      0.778122
  H      -1.736131      0.086049     -0.152250
  H      -0.994714     -0.221843      3.959225
  H       0.090252      0.815472      2.990061
  H       0.422508     -0.927002      3.187582
  H      -1.436724     -2.503654      2.529638
  H      -1.832487     -2.270629      0.819458
  H      -3.949677      0.045299      1.136552
  H      -5.327393     -1.046272      1.450479
  H      -4.163470     -1.416343      0.155828
  H      -4.665104     -1.024591      3.817050
  H      -3.057834     -1.611849      4.339436
  H      -3.220860     -0.052178      3.476901
  H      -6.092278     -6.214362      6.425478
  H      -6.751392     -5.268874      7.891311
  H     -10.061324     -5.191510      6.877652
  H      -9.412563     -3.702467      6.192473
  H      -8.892556     -4.227822      7.819676
  H      -7.997046     -6.911471      4.689984
  H      -9.310688     -5.743990      4.516216
  H      -7.957244     -6.523660      2.083154
  H      -7.431327     -4.921548      1.506358
  H      -9.044179     -5.134415      2.233673
  H      -8.657569     -3.318051      3.558457
  H      -7.476721     -3.242868      4.867979
  H      -6.940078     -3.022495      3.170697
  H      -3.948229     -6.780490      9.183950
  H      -2.460067     -5.676123      9.394937
  H      -3.853766     -6.896060      5.720694
  H      -2.883928     -8.295874      6.200325
  H      -4.367893     -7.899772      7.119617
  H      -0.796568     -5.604431      7.673773
  H      -0.905003     -6.726348      6.315357
  H       0.336847     -4.930046      5.074172
  H       0.220720     -3.805359      6.442200
  H      -0.411220     -3.329612      4.840558
  H      -3.397568     -3.977482      7.045387
  H      -1.820354     -3.408936      7.625874
  H      -2.483458     -2.722791      6.127132
  N      -5.110291     -3.014551      5.437183
  H      -4.423295     -2.486033      5.977951
  H      -5.658803     -3.567588      6.107462
  H      -5.752385     -2.325182      5.038788
87
Coordinates from ORCA-job orca E -5422.578446047153
  N      -3.883895     -3.203314      2.314243
  C      -3.888703     -3.911675      1.016421
  C      -3.141263     -5.226595      1.147667
  N      -3.643819     -5.940181      2.349491
  C      -4.860219     -6.742677      2.064129
  C      -5.692850     -6.799011      3.341247
  N      -5.987705     -5.430223      3.776537
  Mo     -4.214925     -4.412244      3.865039
  N      -2.477388     -5.086128      4.705283
  C      -1.682190     -5.947222      3.815409
  C      -2.594834     -6.794035      2.955792
  H      -1.025981     -6.641456      4.372375
  H      -1.001305     -5.355964      3.168368
  H      -3.098313     -7.536587      3.588833
  H      -2.029367     -7.337081      2.173586
  H      -6.597648     -7.401602      3.155743
  H      -5.135855     -7.353159      4.118820
  H      -5.437688     -6.225963      1.286293
  H      -4.577926     -7.744338      1.686229
  H      -3.415247     -3.339203      0.200399
  H      -4.926574     -4.105745      0.681734
  H      -2.074350     -5.013791      1.306233
  H      -3.239138     -5.859851      0.246049
  C      -1.188831      0.343406      0.770396
  C      -1.172596     -0.490270      1.822820
  C      -0.377309     -0.171626      3.060622
  C      -1.906502     -1.809847      1.817946
  C      -3.429471     -1.790930      2.200141
  C      -4.254618     -1.014709      1.158752
  C      -3.603943     -1.078701      3.538472
  C      -6.900494     -5.667963      6.857965
  C      -8.025930     -5.376020      6.183816
  C      -9.128782     -4.571230      6.816308
  C      -8.257155     -5.830558      4.763789
  C      -7.416711     -5.071993      3.674286
  C      -8.003574     -5.433941      2.287422
  C      -7.631001     -3.560882      3.826897
  C      -3.016749     -6.328470      8.764627
  C      -2.668308     -6.573728      7.491104
  C      -3.475239     -7.490396      6.617402
  C      -1.448601     -5.944743      6.870537
  C      -1.701795     -4.718913      5.913033
  C      -0.316911     -4.150913      5.527493
  C      -2.416008     -3.643980      6.724848
  H      -0.659472      1.298569      0.791322
  H      -1.728209      0.095619     -0.146088
  H      -0.998802     -0.228314      3.967104
  H       0.079392      0.825926      3.007855
  H       0.426953     -0.914804      3.194366
  H      -1.427463     -2.499070      2.532213
  H      -1.817592     -2.266333      0.820749
  H      -3.942860      0.038516      1.124622
  H      -5.318964     -1.056227      1.434743
  H      -4.148307     -1.425443      0.145856
  H      -4.668528     -1.022654      3.800520
  H      -3.066045     -1.608802      4.336708
  H      -3.221389     -0.050802      3.469830
  H      -6.107979     -6.266496      6.410259
  H      -6.749993     -5.319889      7.883253
  H     -10.051979     -5.170889      6.883112
  H      -9.380850     -3.686896      6.208528
  H      -8.861800     -4.236771      7.828187
  H      -8.026457     -6.902695      4.666207
  H      -9.324678     -5.714624      4.515765
  H      -7.975597     -6.510872      2.075967
  H      -7.441652     -4.910903      1.499563
  H      -9.055134     -5.116233      2.227638
  H      -8.661089     -3.302764      3.542220
  H      -7.490353     -3.228713      4.860528
  H      -6.939056     -3.013470      3.169248
  H      -3.902876     -6.786484      9.209780
  H      -2.425409     -5.665975      9.400558
  H      -3.840105     -6.931373      5.740176
  H      -2.848242     -8.310611      6.230027
  H      -4.328633     -7.922620      7.157225
  H      -0.778659     -5.587153      7.667725
  H      -0.888600     -6.712278      6.311240
  H       0.324556     -4.907599      5.056032
  H       0.207976     -3.776226      6.418649
  H      -0.445025     -3.317100      4.820504
  H      -3.408874     -3.984118      7.041315
  H      -1.835144     -3.412896      7.629548
  H      -2.496696     -2.721083      6.131835
  N      -5.125882     -3.017500      5.432836
  H      -4.442084     -2.530724      6.014943
  H      -5.712211     -3.578269      6.063935
  H      -5.732568     -2.295979      5.035640
87
Coordinates from ORCA-job orca E -5422.578598793581
  N      -3.878278     -3.210455      2.313210
  C      -3.880710     -3.919335      1.015488
  C      -3.141537     -5.238150      1.149522
  N      -3.648443     -5.948067      2.352380
  C      -4.866267     -6.747901      2.065283
  C      -5.702502     -6.798127      3.339212
  N      -5.995791     -5.426642      3.765612
  Mo     -4.219565     -4.415807      3.862360
  N      -2.488036     -5.096743      4.711321
  C      -1.691736     -5.956671      3.821154
  C      -2.603250     -6.803778      2.962351
  H      -1.034450     -6.649732      4.378331
  H      -1.011344     -5.364587      3.174285
  H      -3.110869     -7.543735      3.595259
  H      -2.037679     -7.349563      2.182298
  H      -6.608084     -7.399701      3.153400
  H      -5.150164     -7.348367      4.123215
  H      -5.440037     -6.229323      1.285840
  H      -4.585572     -7.750401      1.688506
  H      -3.399216     -3.349598      0.201928
  H      -4.918427     -4.105587      0.676300
  H      -2.072922     -5.034423      1.308088
  H      -3.244662     -5.871770      0.248789
  C      -1.201906      0.361043      0.794919
  C      -1.182506     -0.480892      1.840580
  C      -0.390782     -0.168125      3.082063
  C      -1.908527     -1.804899      1.824290
  C      -3.433443     -1.795950      2.199611
  C      -4.257519     -1.027431      1.152402
  C      -3.621565     -1.085299      3.536938
  C      -6.889991     -5.665157      6.840777
  C      -8.014732     -5.350885      6.174649
  C      -9.096315     -4.522042      6.813002
  C      -8.264445     -5.806649      4.758363
  C      -7.422215     -5.064467      3.659685
  C      -8.010169     -5.442874      2.278359
  C      -7.627415     -3.549469      3.790705
  C      -2.983619     -6.337148      8.771226
  C      -2.640451     -6.582287      7.496199
  C      -3.444390     -7.513364      6.635159
  C      -1.431177     -5.942069      6.867158
  C      -1.703852     -4.719268      5.911902
  C      -0.328844     -4.136904      5.514926
  C      -2.422256     -3.653556      6.731973
  H      -0.678584      1.319237      0.824503
  H      -1.737547      0.117111     -0.124709
  H      -1.011122     -0.245307      3.987713
  H       0.053490      0.835577      3.042572
  H       0.422717     -0.902934      3.205814
  H      -1.427987     -2.495571      2.536017
  H      -1.812495     -2.254871      0.824751
  H      -3.954218      0.028391      1.120951
  H      -5.323496     -1.076967      1.420531
  H      -4.140306     -1.436414      0.140046
  H      -4.688717     -1.029818      3.788442
  H      -3.092083     -1.615308      4.340778
  H      -3.239268     -0.056947      3.473795
  H      -6.113849     -6.281713      6.389308
  H      -6.723280     -5.316539      7.863531
  H     -10.029366     -5.104520      6.893171
  H      -9.339027     -3.637551      6.201864
  H      -8.812955     -4.185921      7.819814
  H      -8.048850     -6.882159      4.663006
  H      -9.332342     -5.677666      4.518363
  H      -7.986182     -6.522679      2.081218
  H      -7.446722     -4.932235      1.483533
  H      -9.060636     -5.122253      2.215182
  H      -8.653940     -3.288426      3.495639
  H      -7.490230     -3.198711      4.818376
  H      -6.927990     -3.016571      3.129103
  H      -3.862803     -6.802049      9.223045
  H      -2.395282     -5.666894      9.401763
  H      -3.823499     -6.970301      5.754777
  H      -2.811992     -8.330793      6.249976
  H      -4.287923     -7.951062      7.185847
  H      -0.759218     -5.578860      7.659976
  H      -0.868747     -6.703750      6.302667
  H       0.316635     -4.886188      5.037202
  H       0.200015     -3.757046      6.401496
  H      -0.472547     -3.303694      4.810326
  H      -3.410656     -4.004595      7.050788
  H      -1.839701     -3.423754      7.635925
  H      -2.513076     -2.727932      6.144886
  N      -5.139770     -3.031689      5.438159
  H      -4.462434     -2.588561      6.061105
  H      -5.758017     -3.603527      6.027582
  H      -5.714431     -2.279861      5.048987
87
Coordinates from ORCA-job orca E -5422.578694140659
  N      -3.875735     -3.220455      2.312394
  C      -3.875792     -3.931965      1.015833
  C      -3.141287     -5.252074      1.153951
  N      -3.650984     -5.957234      2.359278
  C      -4.870369     -6.755061      2.070652
  C      -5.712438     -6.796151      3.340375
  N      -5.999730     -5.421811      3.760030
  Mo     -4.216188     -4.420933      3.865048
  N      -2.486482     -5.100686      4.716415
  C      -1.693723     -5.965376      3.826558
  C      -2.608339     -6.813798      2.972720
  H      -1.035603     -6.656380      4.385030
  H      -1.014547     -5.375907      3.175999
  H      -3.119352     -7.548892      3.608652
  H      -2.045198     -7.365102      2.194641
  H      -6.621226     -7.392656      3.152470
  H      -5.167899     -7.346157      4.130245
  H      -5.438780     -6.237813      1.286415
  H      -4.589806     -7.759429      1.698825
  H      -3.389818     -3.363989      0.203728
  H      -4.913869     -4.113844      0.675247
  H      -2.071707     -5.053069      1.311718
  H      -3.248049     -5.888871      0.255903
  C      -1.217164      0.370096      0.803533
  C      -1.196443     -0.474499      1.847131
  C      -0.412084     -0.159740      3.092665
  C      -1.913946     -1.803088      1.824732
  C      -3.439955     -1.803910      2.196293
  C      -4.265091     -1.042572      1.144657
  C      -3.636196     -1.091587      3.531321
  C      -6.904718     -5.696163      6.826692
  C      -8.021024     -5.350472      6.161817
  C      -9.084561     -4.501905      6.804311
  C      -8.276194     -5.788705      4.741375
  C      -7.422423     -5.048762      3.650302
  C      -8.007038     -5.418581      2.265467
  C      -7.615036     -3.532431      3.785342
  C      -2.957620     -6.339201      8.779714
  C      -2.620433     -6.582940      7.502638
  C      -3.425770     -7.518105      6.647578
  C      -1.416164     -5.938333      6.868608
  C      -1.696037     -4.718137      5.912869
  C      -0.325275     -4.130926      5.509222
  C      -2.416050     -3.653870      6.733945
  H      -0.700839      1.331935      0.838022
  H      -1.747063      0.124848     -0.119083
  H      -1.033631     -0.250651      3.996316
  H       0.019995      0.849565      3.060966
  H       0.410233     -0.885177      3.213931
  H      -1.431044     -2.493020      2.535384
  H      -1.812155     -2.249018      0.823906
  H      -3.971252      0.016046      1.115264
  H      -5.332327     -1.100312      1.406248
  H      -4.138230     -1.449519      0.132633
  H      -4.704789     -1.034674      3.776770
  H      -3.111915     -1.620902      4.339137
  H      -3.253314     -0.063224      3.469955
  H      -6.141222     -6.325171      6.370753
  H      -6.730757     -5.358199      7.851776
  H     -10.030277     -5.063977      6.881504
  H      -9.307684     -3.609545      6.197257
  H      -8.794121     -4.176702      7.812706
  H      -8.075303     -6.866182      4.635784
  H      -9.342074     -5.642861      4.501928
  H      -7.987897     -6.497796      2.064353
  H      -7.437895     -4.908084      1.474549
  H      -9.055709     -5.092384      2.199548
  H      -8.637379     -3.260150      3.485324
  H      -7.479820     -3.182503      4.813524
  H      -6.907181     -3.004331      3.128753
  H      -3.832146     -6.807492      9.237038
  H      -2.368065     -5.666649      9.406773
  H      -3.809652     -6.981157      5.765625
  H      -2.792549     -8.335064      6.261950
  H      -4.264553     -7.958159      7.203442
  H      -0.743246     -5.572702      7.659533
  H      -0.852822     -6.698515      6.303078
  H       0.320780     -4.876654      5.026677
  H       0.207017     -3.750848      6.393665
  H      -0.474970     -3.296399      4.807504
  H      -3.398008     -4.012782      7.065281
  H      -1.827301     -3.413700      7.631155
  H      -2.522224     -2.732158      6.143313
  N      -5.135217     -3.042046      5.448220
  H      -4.460702     -2.632545      6.096728
  H      -5.774702     -3.618769      6.009726
  H      -5.685936     -2.268366      5.067583
87
Coordinates from ORCA-job orca E -5422.578762534466
  N      -3.876087     -3.231665      2.313395
  C      -3.871767     -3.944003      1.016811
  C      -3.141586     -5.265888      1.158231
  N      -3.654523     -5.968598      2.364532
  C      -4.875096     -6.765083      2.074444
  C      -5.722600     -6.797577      3.340684
  N      -6.003434     -5.420854      3.754296
  Mo     -4.212908     -4.429679      3.868510
  N      -2.479757     -5.105140      4.716542
  C      -1.693933     -5.977655      3.827257
  C      -2.614300     -6.826642      2.980167
  H      -1.035827     -6.667348      4.387090
  H      -1.015802     -5.393131      3.171230
  H      -3.128328     -7.556080      3.620201
  H      -2.055216     -7.384288      2.203501
  H      -6.634870     -7.388454      3.150490
  H      -5.185158     -7.348631      4.134981
  H      -5.438422     -6.250821      1.284604
  H      -4.593673     -7.771404      1.708837
  H      -3.380106     -3.376136      0.208100
  H      -4.909433     -4.121892      0.672419
  H      -2.071537     -5.069861      1.316356
  H      -3.249733     -5.904906      0.261978
  C      -1.237202      0.382735      0.824016
  C      -1.215299     -0.465665      1.864642
  C      -0.437736     -0.150602      3.114289
  C      -1.923121     -1.799169      1.833732
  C      -3.450992     -1.812574      2.198797
  C      -4.276072     -1.057877      1.142055
  C      -3.659651     -1.101041      3.532297
  C      -6.918365     -5.703057      6.812952
  C      -8.028870     -5.337882      6.147902
  C      -9.079040     -4.472111      6.788847
  C      -8.286071     -5.770397      4.726133
  C      -7.421446     -5.036954      3.638458
  C      -8.002531     -5.404573      2.251528
  C      -7.602705     -3.519431      3.771121
  C      -2.934741     -6.330473      8.785524
  C      -2.602014     -6.578295      7.507975
  C      -3.409720     -7.516564      6.659953
  C      -1.399894     -5.936352      6.867904
  C      -1.681044     -4.720608      5.908516
  C      -0.311123     -4.139502      5.494159
  C      -2.392820     -3.650489      6.728768
  H      -0.728084      1.348159      0.864800
  H      -1.761232      0.137172     -0.101853
  H      -1.059799     -0.255290      4.016085
  H      -0.017261      0.863859      3.091032
  H       0.392891     -0.867113      3.232299
  H      -1.438480     -2.488900      2.543412
  H      -1.813428     -2.239460      0.831182
  H      -3.994165      0.004110      1.116904
  H      -5.344941     -1.126936      1.394211
  H      -4.135891     -1.461191      0.130249
  H      -4.730482     -1.044847      3.769391
  H      -3.141360     -1.629994      4.344448
  H      -3.278346     -0.071897      3.474519
  H      -6.165265     -6.343484      6.355329
  H      -6.737598     -5.370018      7.838513
  H     -10.033908     -5.018384      6.866678
  H      -9.287314     -3.577487      6.179998
  H      -8.783866     -4.149538      7.796728
  H      -8.095292     -6.849485      4.618586
  H      -9.349853     -5.613804      4.484162
  H      -7.984948     -6.483977      2.050854
  H      -7.429237     -4.896157      1.462243
  H      -9.050268     -5.076051      2.181472
  H      -8.621653     -3.238192      3.467456
  H      -7.467538     -3.167247      4.798539
  H      -6.888218     -2.998049      3.116190
  H      -3.807735     -6.797339      9.247231
  H      -2.343362     -5.655153      9.407897
  H      -3.796041     -6.982871      5.777201
  H      -2.778024     -8.335059      6.274754
  H      -4.246337     -7.955276      7.219884
  H      -0.725586     -5.567868      7.656390
  H      -0.837010     -6.699202      6.305458
  H       0.328345     -4.887287      5.005992
  H       0.229611     -3.762873      6.375051
  H      -0.461243     -3.303050      4.794841
  H      -3.368318     -4.010220      7.079287
  H      -1.792673     -3.398787      7.615206
  H      -2.511642     -2.735046      6.131095
  N      -5.129819     -3.059326      5.462500
  H      -4.456780     -2.672072      6.125740
  H      -5.778019     -3.643428      6.006144
  H      -5.669367     -2.271797      5.094516
87
Coordinates from ORCA-job orca E -5422.578815101651
  N      -3.873805     -3.245693      2.311079
  C      -3.861860     -3.959010      1.016041
  C      -3.134829     -5.281425      1.163533
  N      -3.654650     -5.979250      2.369960
  C      -4.877003     -6.771400      2.076055
  C      -5.731182     -6.793642      3.338472
  N      -6.002193     -5.414536      3.747581
  Mo     -4.203798     -4.437215      3.871759
  N      -2.469735     -5.109765      4.719050
  C      -1.692481     -5.993557      3.832948
  C      -2.620477     -6.840343      2.991630
  H      -1.038368     -6.684725      4.395569
  H      -1.011705     -5.417643      3.172045
  H      -3.140075     -7.561274      3.636808
  H      -2.065823     -7.407608      2.218428
  H      -6.647870     -7.376890      3.144654
  H      -5.201890     -7.348458      4.135990
  H      -5.433314     -6.259648      1.279584
  H      -4.596990     -7.780716      1.717839
  H      -3.364280     -3.391274      0.210951
  H      -4.897829     -4.136487      0.665554
  H      -2.064782     -5.087342      1.323980
  H      -3.241528     -5.922931      0.268919
  C      -1.261760      0.395644      0.836092
  C      -1.240108     -0.451500      1.877929
  C      -0.476022     -0.127400      3.133618
  C      -1.933161     -1.792437      1.841799
  C      -3.463780     -1.822739      2.195076
  C      -4.288557     -1.080850      1.128367
  C      -3.692236     -1.108356      3.523831
  C      -6.920435     -5.713044      6.797950
  C      -8.027024     -5.328518      6.136857
  C      -9.063248     -4.449978      6.782536
  C      -8.289625     -5.749591      4.712762
  C      -7.415641     -5.018672      3.629518
  C      -7.995166     -5.378926      2.239632
  C      -7.586523     -3.500977      3.766846
  C      -2.928349     -6.326718      8.788804
  C      -2.596963     -6.578561      7.511605
  C      -3.408316     -7.516290      6.664807
  C      -1.391680     -5.941296      6.870217
  C      -1.666410     -4.726813      5.907663
  C      -0.293857     -4.155686      5.487743
  C      -2.368015     -3.648533      6.725468
  H      -0.763532      1.366615      0.880659
  H      -1.775239      0.143632     -0.093997
  H      -1.102922     -0.240593      4.031068
  H      -0.068426      0.892463      3.114180
  H       0.363088     -0.833106      3.256979
  H      -1.447103     -2.477212      2.555481
  H      -1.810796     -2.230859      0.839813
  H      -4.021697     -0.014963      1.104192
  H      -5.359125     -1.164285      1.368862
  H      -4.131174     -1.483935      0.118881
  H      -4.766231     -1.060751      3.750141
  H      -3.177683     -1.630570      4.342696
  H      -3.320109     -0.075952      3.465530
  H      -6.178235     -6.362454      6.334658
  H      -6.731679     -5.389174      7.824986
  H     -10.026598     -4.981398      6.858847
  H      -9.257416     -3.549720      6.177427
  H      -8.762418     -4.136055      7.791520
  H      -8.109811     -6.829818      4.598643
  H      -9.351429     -5.580188      4.470840
  H      -7.977598     -6.457769      2.035285
  H      -7.419280     -4.868727      1.453328
  H      -9.042462     -5.049247      2.167905
  H      -8.603395     -3.210990      3.464405
  H      -7.448726     -3.153393      4.795560
  H      -6.867586     -2.982545      3.114322
  H      -3.802399     -6.790322      9.251865
  H      -2.334804     -5.651329      9.409083
  H      -3.791714     -6.982170      5.780842
  H      -2.779444     -8.337971      6.281845
  H      -4.247320     -7.950643      7.224662
  H      -0.717428     -5.572357      7.658702
  H      -0.829117     -6.708174      6.312722
  H       0.337287     -4.907012      4.994216
  H       0.254133     -3.786697      6.367567
  H      -0.438970     -3.315337      4.792008
  H      -3.335440     -4.008119      7.098863
  H      -1.754372     -3.382701      7.598447
  H      -2.500860     -2.741296      6.118264
  N      -5.115217     -3.074593      5.477343
  H      -4.441539     -2.707620      6.151297
  H      -5.771107     -3.664227      6.005637
  H      -5.644854     -2.273835      5.123715
87
Coordinates from ORCA-job orca E -5422.578861657036
  N      -3.868562     -3.259820      2.309680
  C      -3.847375     -3.972648      1.013836
  C      -3.128417     -5.299128      1.167570
  N      -3.658545     -5.993510      2.371519
  C      -4.884064     -6.779566      2.073704
  C      -5.744670     -6.792782      3.332721
  N      -6.005268     -5.411328      3.738763
  Mo     -4.199090     -4.448851      3.871355
  N      -2.460727     -5.118312      4.715751
  C      -1.694998     -6.015868      3.833109
  C      -2.631882     -6.859820      2.997972
  H      -1.046048     -6.709500      4.398456
  H      -1.011054     -5.450598      3.166420
  H      -3.157498     -7.571850      3.648075
  H      -2.082439     -7.436988      2.228186
  H      -6.665354     -7.368501      3.135294
  H      -5.222647     -7.352182      4.132080
  H      -5.433473     -6.268924      1.271712
  H      -4.607231     -7.791947      1.721930
  H      -3.338292     -3.406667      0.214946
  H      -4.880549     -4.145511      0.652244
  H      -2.058614     -5.108876      1.334094
  H      -3.231819     -5.941210      0.273007
  C      -1.279414      0.409702      0.859417
  C      -1.261634     -0.436261      1.902409
  C      -0.516627     -0.102800      3.167126
  C      -1.939124     -1.784802      1.858670
  C      -3.473111     -1.832417      2.194939
  C      -4.294733     -1.102113      1.117229
  C      -3.724524     -1.116481      3.518552
  C      -6.928528     -5.726045      6.782782
  C      -8.031036     -5.324000      6.125172
  C      -9.055972     -4.436848      6.776898
  C      -8.298214     -5.732300      4.698401
  C      -7.414497     -5.003390      3.620080
  C      -7.993789     -5.352720      2.227081
  C      -7.573653     -3.485475      3.764431
  C      -2.916996     -6.298678      8.795138
  C      -2.587490     -6.564319      7.520297
  C      -3.401736     -7.505200      6.681089
  C      -1.379689     -5.939803      6.872176
  C      -1.647755     -4.733829      5.897886
  C      -0.271181     -4.181603      5.464879
  C      -2.331630     -3.639432      6.709020
  H      -0.792778      1.386295      0.909585
  H      -1.778516      0.151231     -0.076730
  H      -1.153107     -0.221278      4.057160
  H      -0.119543      0.921316      3.151420
  H       0.328354     -0.799485      3.301215
  H      -1.454159     -2.464197      2.578434
  H      -1.800649     -2.221498      0.857975
  H      -4.042179     -0.032694      1.095638
  H      -5.367056     -1.200254      1.343999
  H      -4.118336     -1.503790      0.110337
  H      -4.801630     -1.083491      3.733583
  H      -3.211288     -1.629109      4.344084
  H      -3.366407     -0.079215      3.458666
  H      -6.196020     -6.382709      6.314104
  H      -6.734162     -5.412538      7.811963
  H     -10.026501     -4.955690      6.848520
  H      -9.236953     -3.529503      6.178326
  H      -8.751855     -4.134527      7.788467
  H      -8.130075     -6.813537      4.576913
  H      -9.357636     -5.549082      4.456343
  H      -7.978041     -6.430426      2.016606
  H      -7.414969     -4.839741      1.444715
  H      -9.040117     -5.019972      2.155164
  H      -8.588247     -3.186190      3.463515
  H      -7.433239     -3.145114      4.795330
  H      -6.849775     -2.969395      3.115581
  H      -3.792455     -6.754855      9.263020
  H      -2.320134     -5.619956      9.408545
  H      -3.782867     -6.973044      5.795101
  H      -2.776215     -8.331726      6.303607
  H      -4.243125     -7.931659      7.243493
  H      -0.704188     -5.565414      7.657144
  H      -0.819165     -6.715439      6.324748
  H       0.346934     -4.942874      4.970198
  H       0.287869     -3.815673      6.339127
  H      -0.410418     -3.342573      4.766353
  H      -3.291409     -3.990867      7.109377
  H      -1.700975     -3.358747      7.565069
  H      -2.474796     -2.743131      6.087989
  N      -5.105033     -3.095162      5.488798
  H      -4.428863     -2.742046      6.167660
  H      -5.762616     -3.691319      6.007740
  H      -5.631802     -2.285192      5.151865
87
Coordinates from ORCA-job orca E -5422.578924105303
  N      -3.857450     -3.276951      2.309702
  C      -3.824924     -3.988751      1.013860
  C      -3.114907     -5.319271      1.175143
  N      -3.658360     -6.007816      2.375813
  C      -4.888415     -6.783662      2.072058
  C      -5.756422     -6.786694      3.326482
  N      -6.003375     -5.402441      3.730276
  Mo     -4.188254     -4.459969      3.874144
  N      -2.448744     -5.132268      4.718418
  C      -1.696430     -6.045496      3.840897
  C      -2.643659     -6.882151      3.009889
  H      -1.057339     -6.745356      4.409923
  H      -1.004893     -5.493592      3.170922
  H      -3.179013     -7.582513      3.664698
  H      -2.100119     -7.471834      2.245270
  H      -6.681618     -7.353029      3.123458
  H      -5.243884     -7.352300      4.127851
  H      -5.428778     -6.271015      1.265152
  H      -4.618726     -7.799727      1.725556
  H      -3.302489     -3.425467      0.221844
  H      -4.854102     -4.157422      0.638649
  H      -2.045363     -5.134818      1.349551
  H      -3.214500     -5.961087      0.279966
  C      -1.312673      0.427640      0.869406
  C      -1.294806     -0.410606      1.918640
  C      -0.572688     -0.055679      3.190879
  C      -1.948370     -1.770981      1.874924
  C      -3.485042     -1.843135      2.192344
  C      -4.306429     -1.133023      1.100534
  C      -3.766760     -1.124185      3.508152
  C      -6.937461     -5.741485      6.765976
  C      -8.032837     -5.315752      6.111621
  C      -9.044450     -4.419509      6.772088
  C      -8.305052     -5.705288      4.680909
  C      -7.407854     -4.980029      3.610204
  C      -7.984933     -5.315816      2.212935
  C      -7.551883     -3.461212      3.762381
  C      -2.911478     -6.279421      8.800433
  C      -2.581820     -6.559706      7.528857
  C      -3.400513     -7.503143      6.695367
  C      -1.368437     -5.948720      6.876870
  C      -1.625954     -4.748093      5.892497
  C      -0.243799     -4.217780      5.448359
  C      -2.288961     -3.636598      6.698268
  H      -0.843553      1.412806      0.919221
  H      -1.794611      0.154140     -0.071482
  H      -1.220619     -0.173350      4.072694
  H      -0.188480      0.973285      3.170811
  H       0.278953     -0.740334      3.343309
  H      -1.461718     -2.437706      2.605507
  H      -1.790304     -2.211254      0.878621
  H      -4.073501     -0.059195      1.078116
  H      -5.379480     -1.251331      1.313757
  H      -4.108703     -1.535270      0.097900
  H      -4.846480     -1.121411      3.712879
  H      -3.247152     -1.616334      4.341796
  H      -3.436946     -0.078023      3.441070
  H      -6.216309     -6.406412      6.291297
  H      -6.739149     -5.442429      7.798640
  H     -10.023937     -4.922487      6.833732
  H      -9.207331     -3.501169      6.185142
  H      -8.738475     -4.136167      7.788591
  H      -8.154467     -6.787858      4.549011
  H      -9.360597     -5.501734      4.438534
  H      -7.973658     -6.392110      1.995135
  H      -7.400064     -4.800622      1.436545
  H      -9.029145     -4.976852      2.139347
  H      -8.562102     -3.150609      3.458457
  H      -7.413273     -3.129524      4.796498
  H      -6.818673     -2.948699      3.121367
  H      -3.790175     -6.726080      9.271489
  H      -2.311138     -5.598679      9.408171
  H      -3.778124     -6.973234      5.806500
  H      -2.778869     -8.335360      6.324730
  H      -4.245718     -7.919726      7.259668
  H      -0.691473     -5.571684      7.659392
  H      -0.811647     -6.733314      6.338268
  H       0.360051     -4.990363      4.953627
  H       0.325812     -3.855739      6.317376
  H      -0.375444     -3.380413      4.746380
  H      -3.240443     -3.977849      7.125986
  H      -1.639812     -3.344325      7.536406
  H      -2.441324     -2.750461      6.064857
  N      -5.087174     -3.119109      5.507604
  H      -4.407527     -2.785568      6.192922
  H      -5.748759     -3.722054      6.013622
  H      -5.608582     -2.296719      5.192176
87
Coordinates from ORCA-job orca E -5422.579004695968
  N      -3.835944     -3.302939      2.312598
  C      -3.785884     -4.011163      1.015836
  C      -3.090920     -5.348290      1.186937
  N      -3.655804     -6.028996      2.380460
  C      -4.894401     -6.785844      2.067027
  C      -5.772870     -6.776273      3.314605
  N      -5.997380     -5.388947      3.720278
  Mo     -4.169581     -4.478645      3.879134
  N      -2.428851     -5.159942      4.722950
  C      -1.698567     -6.096241      3.852842
  C      -2.661663     -6.918004      3.025138
  H      -1.077604     -6.808157      4.427376
  H      -0.993027     -5.564943      3.180972
  H      -3.213405     -7.600683      3.685056
  H      -2.127516     -7.525797      2.267985
  H      -6.705198     -7.326760      3.101226
  H      -5.275786     -7.353762      4.117386
  H      -5.420691     -6.265715      1.255546
  H      -4.639028     -7.806758      1.724057
  H      -3.241654     -3.452206      0.235583
  H      -4.808214     -4.171567      0.618485
  H      -2.022180     -5.173619      1.375899
  H      -3.183786     -5.987625      0.289235
  C      -1.361500      0.448299      0.871279
  C      -1.350242     -0.367420      1.938208
  C      -0.677845      0.035430      3.223486
  C      -1.962894     -1.747228      1.904051
  C      -3.502185     -1.859000      2.189963
  C      -4.322751     -1.183044      1.075519
  C      -3.833948     -1.136407      3.491986
  C      -6.955188     -5.767438      6.742662
  C      -8.037211     -5.304734      6.091782
  C      -9.030482     -4.397347      6.765746
  C      -8.313783     -5.662253      4.654005
  C      -7.394224     -4.942768      3.598266
  C      -7.966386     -5.252643      2.193284
  C      -7.511914     -3.422570      3.766954
  C      -2.907666     -6.246133      8.807948
  C      -2.576271     -6.552633      7.543017
  C      -3.403098     -7.499207      6.719310
  C      -1.352274     -5.967689      6.885967
  C      -1.590057     -4.776590      5.883740
  C      -0.197786     -4.285545      5.423230
  C      -2.218000     -3.636131      6.678822
  H      -0.922700      1.447718      0.913439
  H      -1.807598      0.141388     -0.077008
  H      -1.354888     -0.065570      4.085316
  H      -0.308598      1.069357      3.185697
  H       0.177655     -0.631551      3.424481
  H      -1.474887     -2.387195      2.657493
  H      -1.771052     -2.200249      0.919318
  H      -4.120548     -0.103152      1.049588
  H      -5.395537     -1.333189      1.269108
  H      -4.093295     -1.586651      0.080340
  H      -4.914410     -1.193105      3.683982
  H      -3.298299     -1.586783      4.338457
  H      -3.559168     -0.075483      3.408779
  H      -6.249595     -6.442677      6.259142
  H      -6.754917     -5.492144      7.781476
  H     -10.023261     -4.875650      6.806704
  H      -9.163435     -3.460704      6.200390
  H      -8.726055     -4.147596      7.791484
  H      -8.192339     -6.746253      4.504591
  H      -9.361869     -5.425390      4.410065
  H      -7.966153     -6.325978      1.961001
  H      -7.369207     -4.734062      1.428610
  H      -9.005757     -4.899691      2.117050
  H      -8.513173     -3.091671      3.455078
  H      -7.380438     -3.107644      4.807551
  H      -6.760946     -2.915480      3.142663
  H      -3.793388     -6.674372      9.283090
  H      -2.301085     -5.562975      9.406731
  H      -3.773802     -6.972826      5.825358
  H      -2.788939     -8.341532      6.360326
  H      -4.255061     -7.897777      7.286726
  H      -0.671944     -5.587895      7.664286
  H      -0.804567     -6.768122      6.361209
  H       0.384260     -5.079588      4.936427
  H       0.385772     -3.923698      6.282811
  H      -0.315698     -3.456725      4.708797
  H      -3.157765     -3.956450      7.145824
  H      -1.541047     -3.330143      7.489609
  H      -2.380291     -2.765358      6.026740
  N      -5.055252     -3.157470      5.537307
  H      -4.367195     -2.849182      6.226177
  H      -5.719839     -3.768036      6.030359
  H      -5.572121     -2.319994      5.254433
87
Coordinates from ORCA-job orca E -5422.579042842744
  N      -3.836616     -3.303550      2.309963
  C      -3.783384     -4.011085      1.012801
  C      -3.090449     -5.349222      1.185103
  N      -3.657184     -6.029845      2.377770
  C      -4.897021     -6.784588      2.063831
  C      -5.775559     -6.776366      3.311082
  N      -5.998920     -5.389029      3.718794
  Mo     -4.171743     -4.478863      3.875685
  N      -2.431212     -5.161768      4.721400
  C      -1.702020     -6.100186      3.853120
  C      -2.665276     -6.920175      3.024142
  H      -1.084064     -6.813430      4.429513
  H      -0.993402     -5.570836      3.183088
  H      -3.219321     -7.601629      3.683462
  H      -2.130977     -7.529108      2.268091
  H      -6.708252     -7.325793      3.096448
  H      -5.279835     -7.354739      4.113959
  H      -5.422792     -6.261479      1.253984
  H      -4.643616     -7.805063      1.718081
  H      -3.235050     -3.452725      0.234818
  H      -4.804582     -4.168612      0.611580
  H      -2.021981     -5.175891      1.376730
  H      -3.182351     -5.987813      0.286758
  C      -1.352221      0.444919      0.881625
  C      -1.347434     -0.371925      1.947647
  C      -0.681202      0.028297      3.236956
  C      -1.962984     -1.750175      1.909336
  C      -3.503268     -1.859232      2.188325
  C      -4.318328     -1.182825      1.070345
  C      -3.842082     -1.136947      3.489044
  C      -6.952467     -5.777387      6.739956
  C      -8.034238     -5.309961      6.092306
  C      -9.024560     -4.403062      6.771325
  C      -8.314513     -5.662049      4.653877
  C      -7.396164     -4.942299      3.598655
  C      -7.969346     -5.250137      2.193950
  C      -7.512402     -3.421820      3.769104
  C      -2.906158     -6.231921      8.807758
  C      -2.573663     -6.543894      7.544424
  C      -3.399937     -7.494817      6.725458
  C      -1.350344     -5.960824      6.885125
  C      -1.589588     -4.773196      5.878536
  C      -0.197864     -4.284174      5.414055
  C      -2.216079     -3.629207      6.670215
  H      -0.911240      1.443182      0.926531
  H      -1.794914      0.139947     -0.068828
  H      -1.364624     -0.068465      4.094205
  H      -0.306313      1.060167      3.200753
  H       0.169170     -0.643161      3.444516
  H      -1.479628     -2.391580      2.664340
  H      -1.767946     -2.203729      0.925505
  H      -4.113149     -0.103570      1.044338
  H      -5.392044     -1.330081      1.260734
  H      -4.087441     -1.587517      0.075986
  H      -4.922873     -1.198819      3.676465
  H      -3.308279     -1.583114      4.338764
  H      -3.571042     -0.075001      3.406190
  H      -6.248486     -6.452009      6.253339
  H      -6.750694     -5.505363      7.779269
  H     -10.018298     -4.879365      6.811233
  H      -9.156412     -3.463678      6.210369
  H      -8.718284     -4.158645      7.797732
  H      -8.197116     -6.746092      4.501087
  H      -9.362469     -5.421514      4.413003
  H      -7.971131     -6.323044      1.959887
  H      -7.372182     -4.731022      1.429701
  H      -9.008245     -4.895534      2.119329
  H      -8.512562     -3.089515      3.455077
  H      -7.383178     -3.107286      4.810012
  H      -6.759835     -2.915029      3.146791
  H      -3.791877     -6.658340      9.284431
  H      -2.300414     -5.545724      9.403817
  H      -3.772263     -6.973049      5.829433
  H      -2.784945     -8.337621      6.369022
  H      -4.250491     -7.892251      7.295661
  H      -0.669188     -5.578906      7.661567
  H      -0.803875     -6.762664      6.361280
  H       0.385327     -5.081215      4.933616
  H       0.385107     -3.914621      6.270543
  H      -0.317311     -3.461239      4.692964
  H      -3.154537     -3.947681      7.141066
  H      -1.537060     -3.319696      7.477857
  H      -2.380604     -2.761618      6.014625
  N      -5.057439     -3.160642      5.536513
  H      -4.368548     -2.857118      6.226685
  H      -5.724682     -3.770079      6.027430
  H      -5.571624     -2.320738      5.255777
87
Coordinates from ORCA-job orca E -5408.343685385343
  N      -3.837353     -3.309803      2.306027
  C      -3.776071     -4.016794      1.008511
  C      -3.088647     -5.357169      1.184021
  N      -3.659943     -6.036544      2.375294
  C      -4.903290     -6.784995      2.059881
  C      -5.782338     -6.777559      3.305869
  N      -5.999939     -5.390278      3.718359
  Mo     -4.171163     -4.483657      3.872015
  N      -2.429328     -5.169906      4.717195
  C      -1.706850     -6.116643      3.852846
  C      -2.674134     -6.931214      3.024326
  H      -1.096500     -6.833082      4.433681
  H      -0.991381     -5.594450      3.184621
  H      -3.234084     -7.607819      3.683802
  H      -2.142491     -7.544733      2.270105
  H      -6.717732     -7.320955      3.087362
  H      -5.292386     -7.359813      4.109444
  H      -5.426568     -6.255559      1.252517
  H      -4.654263     -7.804816      1.708931
  H      -3.218212     -3.459427      0.236445
  H      -4.795052     -4.166874      0.599055
  H      -2.020521     -5.187363      1.380762
  H      -3.179679     -5.995441      0.285359
  C      -1.345951      0.443441      0.905466
  C      -1.354536     -0.371977      1.972525
  C      -0.710651      0.031993      3.271924
  C      -1.966827     -1.751150      1.927267
  C      -3.509820     -1.863362      2.186076
  C      -4.311516     -1.190467      1.056831
  C      -3.871324     -1.140558      3.480865
  C      -6.958612     -5.788015      6.736166
  C      -8.037143     -5.311071      6.090080
  C      -9.023320     -4.402421      6.772564
  C      -8.317614     -5.654934      4.649321
  C      -7.395772     -4.937098      3.598024
  C      -7.967714     -5.238101      2.191743
  C      -7.504581     -3.416218      3.771856
  C      -2.895396     -6.202289      8.806423
  C      -2.563054     -6.528002      7.546326
  C      -3.392981     -7.485147      6.739160
  C      -1.339600     -5.953912      6.880828
  C      -1.578326     -4.773408      5.865727
  C      -0.186708     -4.294503      5.390626
  C      -2.195377     -3.619799      6.651092
  H      -0.907699      1.442658      0.954784
  H      -1.774558      0.135944     -0.050597
  H      -1.410827     -0.057474      4.116424
  H      -0.331012      1.062119      3.237450
  H       0.132418     -0.641936      3.500136
  H      -1.492104     -2.390768      2.689007
  H      -1.758406     -2.206585      0.947067
  H      -4.105348     -0.111441      1.030838
  H      -5.387630     -1.335762      1.235073
  H      -4.070963     -1.596810      0.065469
  H      -4.953815     -1.213848      3.653822
  H      -3.344800     -1.575659      4.340627
  H      -3.609357     -0.076121      3.398972
  H      -6.256683     -6.462440      6.246485
  H      -6.756861     -5.521738      7.776996
  H     -10.019773     -4.873330      6.808593
  H      -9.149916     -3.459517      6.216440
  H      -8.716772     -4.165056      7.800500
  H      -8.208129     -6.739378      4.492580
  H      -9.364213     -5.407497      4.409153
  H      -7.974642     -6.309941      1.953012
  H      -7.367647     -4.718350      1.430226
  H      -9.004987     -4.878506      2.117665
  H      -8.500494     -3.076757      3.451541
  H      -7.380674     -3.102112      4.813455
  H      -6.745828     -2.912840      3.154490
  H      -3.782293     -6.621051      9.287507
  H      -2.288237     -5.511205      9.395389
  H      -3.767364     -6.971521      5.839222
  H      -2.780068     -8.331418      6.386902
  H      -4.240897     -7.877607      7.316326
  H      -0.654735     -5.570294      7.653037
  H      -0.798957     -6.760838      6.358727
  H       0.395021     -5.099606      4.922021
  H       0.397965     -3.912568      6.240315
  H      -0.305651     -3.482391      4.657038
  H      -3.126969     -3.933121      7.139422
  H      -1.505804     -3.299700      7.445464
  H      -2.370797     -2.761119      5.986878
  N      -5.050851     -3.172596      5.541648
  H      -4.358332     -2.884699      6.234626
  H      -5.725389     -3.778063      6.027324
  H      -5.555260     -2.324638      5.267466
87
Coordinates from ORCA-job orca E -5422.578737559112
  N      -3.857238     -3.313244      2.296532
  C      -3.785314     -4.018073      0.997620
  C      -3.102147     -5.359144      1.172328
  N      -3.667713     -6.043719      2.364146
  C      -4.918187     -6.783517      2.053941
  C      -5.788996     -6.793422      3.301324
  N      -6.002077     -5.409721      3.733875
  Mo     -4.177069     -4.490086      3.863211
  N      -2.427193     -5.184432      4.699067
  C      -1.714522     -6.141721      3.839755
  C      -2.686168     -6.944413      3.009619
  H      -1.119097     -6.863537      4.430430
  H      -0.983771     -5.628267      3.181812
  H      -3.253947     -7.618934      3.665141
  H      -2.158649     -7.558402      2.253177
  H      -6.728931     -7.326025      3.074999
  H      -5.308797     -7.382261      4.105600
  H      -5.444977     -6.233539      1.262785
  H      -4.675773     -7.795806      1.676932
  H      -3.213732     -3.458950      0.236289
  H      -4.803287     -4.147926      0.579576
  H      -2.034656     -5.192239      1.375453
  H      -3.195865     -5.996029      0.272983
  C      -1.294227      0.415839      0.977324
  C      -1.345460     -0.402075      2.041169
  C      -0.748436     -0.007136      3.365152
  C      -1.974708     -1.771335      1.973412
  C      -3.524378     -1.865414      2.186509
  C      -4.282762     -1.179904      1.037584
  C      -3.927942     -1.142670      3.470832
  C      -6.982946     -5.802623      6.747373
  C      -8.056024     -5.322450      6.094705
  C      -9.049966     -4.418731      6.771101
  C      -8.322464     -5.662593      4.648311
  C      -7.398434     -4.949091      3.606005
  C      -7.962847     -5.241067      2.196293
  C      -7.496789     -3.426991      3.780901
  C      -2.865922     -6.114888      8.791879
  C      -2.534188     -6.475481      7.540269
  C      -3.378375     -7.446684      6.769084
  C      -1.311833     -5.925088      6.858648
  C      -1.552627     -4.761738      5.825022
  C      -0.164081     -4.300119      5.326440
  C      -2.155320     -3.588963      6.593305
  H      -0.844569      1.409016      1.040671
  H      -1.697757      0.114974      0.008410
  H      -1.490566     -0.067441      4.176067
  H      -0.336371      1.010455      3.340253
  H       0.059797     -0.704522      3.643233
  H      -1.529612     -2.418543      2.745463
  H      -1.745230     -2.232217      1.000654
  H      -4.050541     -0.106178      1.016062
  H      -5.366683     -1.294845      1.190096
  H      -4.035660     -1.589492      0.049223
  H      -5.015048     -1.223535      3.606912
  H      -3.429596     -1.560222      4.355373
  H      -3.667338     -0.076439      3.401537
  H      -6.269776     -6.465917      6.259659
  H      -6.793059     -5.537728      7.790993
  H     -10.045711     -4.891859      6.798036
  H      -9.177962     -3.475584      6.216189
  H      -8.751038     -4.182366      7.801337
  H      -8.220175     -6.748574      4.493358
  H      -9.368526     -5.415180      4.403792
  H      -7.984176     -6.310676      1.948883
  H      -7.355405     -4.722164      1.440114
  H      -8.995942     -4.869066      2.121571
  H      -8.480761     -3.073624      3.437402
  H      -7.392734     -3.102861      4.821176
  H      -6.724173     -2.933194      3.173583
  H      -3.756824     -6.510927      9.283850
  H      -2.254349     -5.412112      9.362328
  H      -3.761331     -6.957110      5.858751
  H      -2.773611     -8.302340      6.422669
  H      -4.214108     -7.827941      7.369308
  H      -0.613994     -5.543584      7.619608
  H      -0.792950     -6.743037      6.331664
  H       0.426128     -5.122015      4.899488
  H       0.415516     -3.873632      6.157539
  H      -0.285016     -3.523762      4.554475
  H      -3.075928     -3.890078      7.112008
  H      -1.448501     -3.246714      7.362541
  H      -2.352994     -2.750172      5.911161
  N      -5.041276     -3.184571      5.541129
  H      -4.333931     -2.912160      6.224250
  H      -5.725384     -3.766068      6.041440
  H      -5.529089     -2.330860      5.256669
87
Coordinates from ORCA-job orca E -5422.579095462143
  N      -3.841196     -3.314677      2.303907
  C      -3.772483     -4.020318      1.005753
  C      -3.088192     -5.361601      1.182387
  N      -3.661335     -6.042305      2.372260
  C      -4.907900     -6.785246      2.055691
  C      -5.786223     -6.782600      3.301345
  N      -5.998878     -5.396913      3.722830
  Mo     -4.169185     -4.489869      3.870284
  N      -2.424785     -5.179547      4.711268
  C      -1.708364     -6.132838      3.849218
  C      -2.679689     -6.941353      3.020632
  H      -1.104788     -6.852299      4.433599
  H      -0.986760     -5.616131      3.183410
  H      -3.243995     -7.615462      3.679067
  H      -2.151008     -7.556921      2.265912
  H      -6.724645     -7.319063      3.078204
  H      -5.301943     -7.370251      4.104361
  H      -5.430255     -6.248307      1.252674
  H      -4.661742     -7.802948      1.696368
  H      -3.207255     -3.461800      0.239766
  H      -4.789925     -4.163239      0.589991
  H      -2.020516     -5.193324      1.383178
  H      -3.178645     -5.999476      0.283381
  C      -1.339042      0.439248      0.925461
  C      -1.361800     -0.372169      1.995404
  C      -0.740255      0.038444      3.303445
  C      -1.971796     -1.751954      1.946451
  C      -3.517351     -1.866589      2.187279
  C      -4.305994     -1.194389      1.048983
  C      -3.898549     -1.144171      3.476920
  C      -6.967497     -5.791888      6.737957
  C      -8.043478     -5.312109      6.089607
  C      -9.031122     -4.403764      6.769552
  C      -8.318325     -5.653419      4.646423
  C      -7.393030     -4.936278      3.600265
  C      -7.962751     -5.228516      2.191409
  C      -7.494611     -3.415736      3.779801
  C      -2.890871     -6.169884      8.803058
  C      -2.557746     -6.510284      7.546748
  C      -3.393069     -7.471387      6.751049
  C      -1.331611     -5.948900      6.876944
  C      -1.564811     -4.775913      5.852048
  C      -0.171414     -4.312130      5.367999
  C      -2.170955     -3.609708      6.627143
  H      -0.902799      1.439235      0.976590
  H      -1.753421      0.127050     -0.035328
  H      -1.457465     -0.040098      4.134784
  H      -0.354512      1.066234      3.268028
  H       0.093948     -0.638082      3.555161
  H      -1.505002     -2.389197      2.714889
  H      -1.751820     -2.210730      0.970275
  H      -4.097393     -0.115825      1.024201
  H      -5.384650     -1.335433      1.215606
  H      -4.057917     -1.601131      0.059617
  H      -4.982597     -1.225819      3.637160
  H      -3.378951     -1.569619      4.345600
  H      -3.643449     -0.077744      3.397643
  H      -6.263198     -6.463838      6.248394
  H      -6.769171     -5.527714      7.780068
  H     -10.028220     -4.873636      6.802223
  H      -9.155970     -3.460656      6.213458
  H      -8.727254     -4.166948      7.798390
  H      -8.211827     -6.738248      4.489410
  H      -9.364244     -5.404750      4.403752
  H      -7.975158     -6.298968      1.946521
  H      -7.359466     -4.707398      1.433363
  H      -8.998293     -4.863706      2.117665
  H      -8.486446     -3.067820      3.455313
  H      -7.374154     -3.103023      4.822241
  H      -6.730986     -2.915213      3.166084
  H      -3.780560     -6.578638      9.287392
  H      -2.281238     -5.475507      9.385680
  H      -3.767269     -6.965234      5.846665
  H      -2.784232     -8.322625      6.402857
  H      -4.239096     -7.857760      7.334584
  H      -0.643112     -5.565906      7.646114
  H      -0.798593     -6.762495      6.357407
  H       0.407916     -5.127400      4.914168
  H       0.414158     -3.918246      6.211521
  H      -0.284957     -3.511810      4.620643
  H      -3.097697     -3.913816      7.131284
  H      -1.472038     -3.278928      7.408758
  H      -2.353991     -2.761028      5.952280
  N      -5.040206     -3.182830      5.545680
  H      -4.341490     -2.905101      6.236384
  H      -5.720494     -3.779346      6.034131
  H      -5.534988     -2.329744      5.270750
87
Coordinates from ORCA-job orca E -5422.579079980635
  N      -3.847620     -3.295825      2.310952
  C      -3.794895     -4.001377      1.012589
  C      -3.097601     -5.337017      1.179556
  N      -3.656308     -6.024557      2.372536
  C      -4.896373     -6.780410      2.061315
  C      -5.768236     -6.786912      3.312177
  N      -5.995643     -5.403806      3.733043
  Mo     -4.173407     -4.478090      3.875635
  N      -2.429930     -5.163719      4.713796
  C      -1.698483     -6.098495      3.843259
  C      -2.660196     -6.915393      3.010885
  H      -1.081544     -6.812568      4.419857
  H      -0.987836     -5.565757      3.178194
  H      -3.211665     -7.603391      3.665682
  H      -2.125572     -7.517115      2.249345
  H      -6.701045     -7.335507      3.095958
  H      -5.270914     -7.368378      4.111535
  H      -5.428404     -6.250041      1.260342
  H      -4.640944     -7.795803      1.701921
  H      -3.249103     -3.438616      0.235862
  H      -4.817682     -4.155654      0.614455
  H      -2.029354     -5.160285      1.369580
  H      -3.191040     -5.974474      0.280550
  C      -1.327315      0.425885      0.879204
  C      -1.334942     -0.383719      1.950761
  C      -0.675365      0.020974      3.241877
  C      -1.961834     -1.756724      1.918206
  C      -3.503535     -1.853299      2.194830
  C      -4.309796     -1.165202      1.078367
  C      -3.839072     -1.132122      3.497282
  C      -6.960295     -5.763988      6.759563
  C      -8.044244     -5.316110      6.101909
  C      -9.052178     -4.419187      6.766970
  C      -8.309342     -5.682189      4.663042
  C      -7.394920     -4.959142      3.609527
  C      -7.965796     -5.265970      2.203741
  C      -7.515289     -3.439671      3.781242
  C      -2.913318     -6.215127      8.799629
  C      -2.579615     -6.533425      7.537857
  C      -3.411770     -7.482441      6.724098
  C      -1.352993     -5.959114      6.878854
  C      -1.586183     -4.772383      5.870489
  C      -0.192538     -4.289779      5.406811
  C      -2.210915     -3.624312      6.656969
  H      -0.878365      1.420786      0.918983
  H      -1.767226      0.117549     -0.071437
  H      -1.368866     -0.056851      4.093107
  H      -0.286403      1.047303      3.198375
  H       0.163253     -0.659321      3.467663
  H      -1.484348     -2.398791      2.676222
  H      -1.769439     -2.217418      0.937147
  H      -4.090934     -0.088588      1.054261
  H      -5.385918     -1.296438      1.267696
  H      -4.086483     -1.569914      0.082229
  H      -4.920944     -1.183268      3.682406
  H      -3.310811     -1.581526      4.348851
  H      -3.557753     -0.072202      3.421392
  H      -6.241352     -6.428665      6.281468
  H      -6.770098     -5.481703      7.798442
  H     -10.038645     -4.910489      6.807279
  H      -9.197162     -3.488038      6.195659
  H      -8.754487     -4.159057      7.792033
  H      -8.179168     -6.766172      4.519722
  H      -9.359618     -5.457773      4.415701
  H      -7.969715     -6.338411      1.967413
  H      -7.368480     -4.746042      1.440119
  H      -9.004424     -4.910338      2.129311
  H      -8.515892     -3.107600      3.467807
  H      -7.385604     -3.121911      4.821080
  H      -6.766365     -2.931801      3.155247
  H      -3.802549     -6.633775      9.276330
  H      -2.304919     -5.529971      9.394305
  H      -3.782692     -6.963470      5.825555
  H      -2.801594     -8.328898      6.366856
  H      -4.260724     -7.877374      7.297831
  H      -0.668685     -5.583632      7.655529
  H      -0.814244     -6.763830      6.351464
  H       0.393862     -5.091830      4.938759
  H       0.385527     -3.911775      6.262944
  H      -0.305328     -3.473776      4.676754
  H      -3.152544     -3.937602      7.126038
  H      -1.533254     -3.313665      7.465238
  H      -2.372564     -2.758807      5.998043
  N      -5.053053     -3.151980      5.528832
  H      -4.356555     -2.833848      6.204361
  H      -5.716637     -3.746066      6.042416
  H      -5.567839     -2.320263      5.227151
87
Coordinates from ORCA-job orca E -5422.578984205350
  N      -3.824955     -3.316206      2.312997
  C      -3.753260     -4.020936      1.014715
  C      -3.071494     -5.364637      1.193699
  N      -3.655468     -6.041951      2.379444
  C      -4.899985     -6.783186      2.055150
  C      -5.782202     -6.772936      3.301661
  N      -5.991508     -5.386909      3.717936
  Mo     -4.157521     -4.492065      3.877812
  N      -2.417615     -5.182245      4.719213
  C      -1.703053     -6.137249      3.856616
  C      -2.678208     -6.944997      3.028935
  H      -1.098076     -6.858796      4.436382
  H      -0.985483     -5.623855      3.183897
  H      -3.241144     -7.617518      3.689811
  H      -2.151448     -7.563431      2.274833
  H      -6.719907     -7.311196      3.081719
  H      -5.292076     -7.363508      4.099163
  H      -5.419394     -6.254018      1.245060
  H      -4.653542     -7.804722      1.707239
  H      -3.188209     -3.463022      0.248806
  H      -4.767322     -4.174166      0.593683
  H      -2.003577     -5.197891      1.393729
  H      -3.158143     -6.001629      0.293574
  C      -1.375083      0.452649      0.873197
  C      -1.387066     -0.335222      1.960878
  C      -0.769158      0.114605      3.257922
  C      -1.971343     -1.727689      1.939782
  C      -3.514353     -1.866900      2.190239
  C      -4.323045     -1.214718      1.051922
  C      -3.889423     -1.141614      3.478382
  C      -6.961412     -5.768537      6.739200
  C      -8.037896     -5.295522      6.086794
  C      -9.027157     -4.384788      6.761832
  C      -8.312531     -5.643942      4.646587
  C      -7.382840     -4.923186      3.598544
  C      -7.956294     -5.213606      2.189527
  C      -7.486570     -3.404286      3.781487
  C      -2.913184     -6.209743      8.805680
  C      -2.580098     -6.542850      7.548074
  C      -3.412798     -7.494213      6.734804
  C      -1.345911     -5.982955      6.886805
  C      -1.565763     -4.800107      5.870282
  C      -0.165834     -4.344850      5.395819
  C      -2.162735     -3.636420      6.655424
  H      -0.957408      1.461463      0.904821
  H      -1.780869      0.112806     -0.081982
  H      -1.479856      0.038195      4.094842
  H      -0.405700      1.149721      3.200458
  H       0.081958     -0.538589      3.515049
  H      -1.490600     -2.343842      2.717963
  H      -1.747303     -2.195197      0.968519
  H      -4.140036     -0.131577      1.021751
  H      -5.397143     -1.383024      1.222012
  H      -4.063214     -1.621865      0.065756
  H      -4.971178     -1.227151      3.652387
  H      -3.355104     -1.568751      4.337383
  H      -3.644327     -0.074223      3.387017
  H      -6.260626     -6.448598      6.255004
  H      -6.762272     -5.500682      7.780136
  H     -10.022890     -4.857160      6.798844
  H      -9.152021     -3.445316      6.199225
  H      -8.723968     -4.140530      7.789311
  H      -8.197409     -6.727678      4.491719
  H      -9.358013     -5.398196      4.400337
  H      -7.962969     -6.284689      1.947181
  H      -7.354009     -4.692295      1.430717
  H      -8.992838     -4.852428      2.114897
  H      -8.486710     -3.062859      3.478170
  H      -7.346569     -3.102259      4.824945
  H      -6.733827     -2.897834      3.158756
  H      -3.805079     -6.620587      9.284878
  H      -2.301122     -5.523366      9.395059
  H      -3.778115     -6.976499      5.833784
  H      -2.805102     -8.346583      6.389679
  H      -4.270136     -7.877469      7.305229
  H      -0.662260     -5.602709      7.662178
  H      -0.806306     -6.797475      6.375220
  H       0.398062     -5.158305      4.920050
  H       0.427986     -3.982527      6.248358
  H      -0.266806     -3.524669      4.669012
  H      -3.089228     -3.941033      7.157604
  H      -1.462128     -3.316341      7.440280
  H      -2.337518     -2.779874      5.987666
  N      -5.027265     -3.186499      5.556121
  H      -4.331539     -2.900578      6.247160
  H      -5.699936     -3.795422      6.040316
  H      -5.528611     -2.334020      5.289768
87
Coordinates from ORCA-job orca E -5422.579133069610
  N      -3.837564     -3.312846      2.307277
  C      -3.770005     -4.017938      1.008826
  C      -3.084770     -5.359230      1.184365
  N      -3.658715     -6.040256      2.373384
  C      -4.904097     -6.784117      2.055451
  C      -5.781731     -6.781778      3.302788
  N      -5.995208     -5.396764      3.724265
  Mo     -4.165393     -4.489886      3.873030
  N      -2.422297     -5.180093      4.712577
  C      -1.704746     -6.131677      3.849154
  C      -2.676303     -6.940085      3.019765
  H      -1.099761     -6.851625      4.431236
  H      -0.985075     -5.614147      3.181871
  H      -3.238422     -7.616129      3.677948
  H      -2.147754     -7.554116      2.263608
  H      -6.719342     -7.320344      3.081859
  H      -5.293252     -7.369925      4.102909
  H      -5.427608     -6.249395      1.251720
  H      -4.656844     -7.802218      1.697984
  H      -3.207146     -3.458917      0.241697
  H      -4.787138     -4.164997      0.593548
  H      -2.016813     -5.190582      1.383170
  H      -3.174902     -5.996472      0.284823
  C      -1.347583      0.441855      0.906247
  C      -1.366471     -0.361410      1.982444
  C      -0.742786      0.061565      3.285623
  C      -1.970499     -1.744408      1.943872
  C      -3.515456     -1.864846      2.189051
  C      -4.310501     -1.196871      1.051976
  C      -3.891974     -1.141340      3.478787
  C      -6.964740     -5.780309      6.743774
  C      -8.041489     -5.307432      6.091697
  C      -9.032648     -4.398888      6.766388
  C      -8.314154     -5.655697      4.650132
  C      -7.389125     -4.936696      3.602424
  C      -7.960516     -5.229771      2.193958
  C      -7.493487     -3.416815      3.782366
  C      -2.904752     -6.183210      8.801950
  C      -2.570319     -6.520987      7.545477
  C      -3.404511     -7.478428      6.743060
  C      -1.340115     -5.960806      6.880323
  C      -1.566462     -4.784048      5.858161
  C      -0.169946     -4.323351      5.379975
  C      -2.171043     -3.618361      6.635008
  H      -0.915362      1.443985      0.949817
  H      -1.761593      0.120988     -0.051893
  H      -1.456190     -0.015062      4.120325
  H      -0.363028      1.091339      3.241936
  H       0.096635     -0.608308      3.537876
  H      -1.499241     -2.375243      2.715242
  H      -1.750826     -2.206697      0.969264
  H      -4.108698     -0.116998      1.026131
  H      -5.387871     -1.345233      1.220321
  H      -4.060001     -1.603247      0.063099
  H      -4.975550     -1.220114      3.644029
  H      -3.368381     -1.569559      4.343744
  H      -3.636828     -0.075315      3.396457
  H      -6.259068     -6.454117      6.258521
  H      -6.767843     -5.511216      7.784865
  H     -10.027808     -4.872624      6.802219
  H      -9.160452     -3.459566      6.204470
  H      -8.729965     -4.154626      7.793898
  H      -8.200924     -6.740144      4.496492
  H      -9.360704     -5.412221      4.405264
  H      -7.971315     -6.300665      1.950884
  H      -7.358009     -4.709327      1.434798
  H      -8.996407     -4.866199      2.120086
  H      -8.489268     -3.072740      3.466553
  H      -7.365003     -3.106638      4.824663
  H      -6.735621     -2.913489      3.163593
  H      -3.796040     -6.592191      9.283359
  H      -2.294535     -5.492129      9.387824
  H      -3.775035     -6.968913      5.839113
  H      -2.796117     -8.330318      6.396318
  H      -4.254815     -7.863747      7.321513
  H      -0.653823     -5.579810      7.652627
  H      -0.805110     -6.774941      6.363651
  H       0.405449     -5.138338      4.920720
  H       0.416490     -3.939338      6.227669
  H      -0.277517     -3.516799      4.638657
  H      -3.101390     -3.920990      7.132718
  H      -1.475111     -3.293671      7.421912
  H      -2.345705     -2.765723      5.962649
  N      -5.035634     -3.180369      5.546679
  H      -4.336409     -2.891555      6.232553
  H      -5.709015     -3.779814      6.041179
  H      -5.536986     -2.332000      5.269091
87
Coordinates from ORCA-job orca E -5422.579137882431
  N      -3.838448     -3.311961      2.307535
  C      -3.769263     -4.016612      1.008935
  C      -3.084272     -5.357998      1.184778
  N      -3.658811     -6.039571      2.373331
  C      -4.904202     -6.783114      2.054619
  C      -5.781945     -6.782027      3.301864
  N      -5.995365     -5.397472      3.724605
  Mo     -4.165722     -4.489688      3.872976
  N      -2.422465     -5.179876      4.712169
  C      -1.705275     -6.132276      3.849299
  C      -2.676978     -6.940035      3.019598
  H      -1.101182     -6.852476      4.432006
  H      -0.984828     -5.615429      3.182387
  H      -3.239584     -7.616066      3.677390
  H      -2.148572     -7.554040      2.263360
  H      -6.719618     -7.320170      3.080296
  H      -5.293777     -7.370913      4.101597
  H      -5.427554     -6.247624      1.251319
  H      -4.656724     -7.800794      1.696171
  H      -3.205140     -3.457136      0.243024
  H      -4.785896     -4.163004      0.592220
  H      -2.016467     -5.189367      1.384362
  H      -3.173802     -5.995103      0.285090
  C      -1.345396      0.438590      0.903011
  C      -1.365939     -0.362276      1.980972
  C      -0.743953      0.063506      3.283989
  C      -1.970872     -1.744905      1.944764
  C      -3.515744     -1.864116      2.190501
  C      -4.310346     -1.194641      1.054048
  C      -3.891031     -1.141363      3.481179
  C      -6.964049     -5.782672      6.742944
  C      -8.041361     -5.310149      6.091524
  C      -9.033101     -4.402850      6.766988
  C      -8.313909     -5.657732      4.649733
  C      -7.389294     -4.937430      3.602634
  C      -7.960504     -5.229465      2.193878
  C      -7.494104     -3.417866      3.783764
  C      -2.907344     -6.179089      8.801335
  C      -2.572345     -6.518789      7.545540
  C      -3.406849     -7.476421      6.744119
  C      -1.341339     -5.960550      6.880463
  C      -1.565988     -4.784211      5.857735
  C      -0.168858     -4.326081      5.379087
  C      -2.168496     -3.617204      6.634091
  H      -0.912771      1.440605      0.944840
  H      -1.758455      0.115760     -0.054852
  H      -1.458905     -0.009806      4.117691
  H      -0.362920      1.092699      3.238069
  H       0.094212     -0.606606      3.539779
  H      -1.499939     -2.374900      2.716986
  H      -1.751845     -2.208966      0.970806
  H      -4.107804     -0.114902      1.029159
  H      -5.387848     -1.342206      1.222193
  H      -4.060278     -1.600232      0.064722
  H      -4.974553     -1.219302      3.647361
  H      -3.366962     -1.570495      4.345355
  H      -3.635181     -0.075401      3.399785
  H      -6.257913     -6.455357      6.256852
  H      -6.766944     -5.514199      7.784178
  H     -10.027784     -4.877542      6.803230
  H      -9.162139     -3.463538      6.205383
  H      -8.730135     -4.158523      7.794387
  H      -8.199700     -6.741972      4.495452
  H      -9.360710     -5.415115      4.405102
  H      -7.971045     -6.300142      1.949864
  H      -7.358120     -4.708246      1.435158
  H      -8.996489     -4.866121      2.120248
  H      -8.490478     -3.073978      3.469634
  H      -7.364164     -3.108098      4.826011
  H      -6.737569     -2.913849      3.164011
  H      -3.799426     -6.586504      9.282592
  H      -2.296932     -5.487749      9.386673
  H      -3.776782     -6.967726      5.839528
  H      -2.798966     -8.329102      6.398380
  H      -4.257409     -7.860771      7.322798
  H      -0.654888     -5.580095      7.652888
  H      -0.807131     -6.775589      6.364327
  H       0.405277     -5.142192      4.920271
  H       0.418225     -3.942597      6.226560
  H      -0.274973     -3.519709      4.637383
  H      -3.097424     -3.918938      7.135040
  H      -1.470501     -3.291077      7.418564
  H      -2.345075     -2.765802      5.960682
  N      -5.035038     -3.179962      5.546723
  H      -4.335560     -2.892112      6.232645
  H      -5.709824     -3.777783      6.041148
  H      -5.534513     -2.330869      5.268000
87
Coordinates from ORCA-job orca E -5422.579147025329
  N      -3.838078     -3.312767      2.307931
  C      -3.765045     -4.016127      1.008872
  C      -3.081944     -5.358402      1.185173
  N      -3.658546     -6.040649      2.372316
  C      -4.904915     -6.781687      2.051758
  C      -5.782395     -6.783133      3.299196
  N      -5.993947     -5.399674      3.726040
  Mo     -4.163836     -4.491881      3.872830
  N      -2.420180     -5.184066      4.710000
  C      -1.705700     -6.139818      3.848633
  C      -2.679157     -6.944096      3.017948
  H      -1.105459     -6.861997      4.432925
  H      -0.982136     -5.626194      3.182715
  H      -3.243616     -7.619473      3.674860
  H      -2.152104     -7.558662      2.261246
  H      -6.720769     -7.319383      3.076329
  H      -5.294872     -7.374718      4.097296
  H      -5.427754     -6.243176      1.250157
  H      -4.658613     -7.798573      1.690230
  H      -3.196948     -3.456284      0.246163
  H      -4.780243     -4.160212      0.587848
  H      -2.014252     -5.191119      1.386510
  H      -3.170740     -5.994603      0.284747
  C      -1.344352      0.436533      0.903018
  C      -1.370432     -0.358343      1.985326
  C      -0.758453      0.076448      3.290061
  C      -1.972579     -1.742218      1.952612
  C      -3.518197     -1.864120      2.192215
  C      -4.309624     -1.196192      1.052644
  C      -3.899675     -1.141805      3.481449
  C      -6.966430     -5.784322      6.745026
  C      -8.042379     -5.310891      6.092082
  C      -9.034687     -4.403251      6.766259
  C      -8.313087     -5.658188      4.649820
  C      -7.387290     -4.937328      3.604052
  C      -7.958617     -5.226138      2.194673
  C      -7.490268     -3.418068      3.787384
  C      -2.913631     -6.165571      8.798019
  C      -2.576076     -6.513612      7.545173
  C      -3.411032     -7.473873      6.747510
  C      -1.341911     -5.962272      6.880206
  C      -1.560731     -4.788390      5.853614
  C      -0.161393     -4.339467      5.372792
  C      -2.156235     -3.615122      6.626054
  H      -0.913969      1.439637      0.941995
  H      -1.750593      0.107469     -0.055644
  H      -1.480061      0.009857      4.118616
  H      -0.376659      1.105152      3.239603
  H       0.077313     -0.592023      3.557812
  H      -1.503809     -2.368076      2.729517
  H      -1.748698     -2.210160      0.981585
  H      -4.109232     -0.116047      1.028863
  H      -5.387562     -1.345849      1.216205
  H      -4.054892     -1.600854      0.064111
  H      -4.983439     -1.222965      3.644998
  H      -3.376096     -1.568117      4.347223
  H      -3.647378     -0.074950      3.400099
  H      -6.260077     -6.457350      6.259771
  H      -6.770679     -5.516322      7.786671
  H     -10.029298     -4.878132      6.802413
  H      -9.163616     -3.464460      6.203779
  H      -8.732363     -4.157983      7.793634
  H      -8.198254     -6.742317      4.495328
  H      -9.359745     -5.415936      4.404194
  H      -7.971225     -6.296395      1.948887
  H      -7.355133     -4.704848      1.436855
  H      -8.993894     -4.860706      2.121423
  H      -8.487177     -3.073013      3.476212
  H      -7.357184     -3.109238      4.829530
  H      -6.735165     -2.914055      3.165948
  H      -3.808259     -6.567525      9.279093
  H      -2.302970     -5.472399      9.380934
  H      -3.779834     -6.969455      5.840055
  H      -2.804013     -8.329026      6.406336
  H      -4.262544     -7.854593      7.327179
  H      -0.655129     -5.582155      7.652535
  H      -0.810080     -6.781061      6.367447
  H       0.409056     -5.160407      4.918028
  H       0.427294     -3.954984      6.218690
  H      -0.262984     -3.535929      4.627363
  H      -3.083113     -3.911521      7.134078
  H      -1.453433     -3.285964      7.404947
  H      -2.334452     -2.767450      5.948389
  N      -5.028876     -3.183792      5.549739
  H      -4.327086     -2.897204      6.233773
  H      -5.703909     -3.779796      6.045873
  H      -5.526547     -2.333648      5.271036
87
Coordinates from ORCA-job orca E -5422.579158909441
  N      -3.835396     -3.314728      2.308834
  C      -3.756331     -4.015893      1.008924
  C      -3.077284     -5.360284      1.185850
  N      -3.658037     -6.043334      2.370432
  C      -4.906239     -6.779731      2.046245
  C      -5.783319     -6.784935      3.294144
  N      -5.991452     -5.403217      3.727528
  Mo     -4.159965     -4.496572      3.872406
  N      -2.416430     -5.192975      4.706375
  C      -1.706633     -6.154758      3.847782
  C      -2.683224     -6.952531      3.014868
  H      -1.113507     -6.880597      4.434858
  H      -0.977418     -5.647136      3.183579
  H      -3.251078     -7.626907      3.669905
  H      -2.158598     -7.567983      2.257214
  H      -6.722898     -7.318196      3.069632
  H      -5.296331     -7.381031      4.089220
  H      -5.427995     -6.236141      1.247378
  H      -4.662208     -7.795442      1.679834
  H      -3.181238     -3.455935      0.251571
  H      -4.769000     -4.155837      0.580329
  H      -2.009597     -5.196214      1.389869
  H      -3.165316     -5.994745      0.284070
  C      -1.346519      0.436582      0.903530
  C      -1.380031     -0.347655      1.993440
  C      -0.784318      0.104018      3.299962
  C      -1.974684     -1.734839      1.967272
  C      -3.521664     -1.864401      2.194968
  C      -4.307882     -1.200893      1.049194
  C      -3.915711     -1.142833      3.480777
  C      -6.966591     -5.787274      6.747221
  C      -8.040665     -5.311343      6.093037
  C      -9.031446     -4.401020      6.765822
  C      -8.310583     -5.658308      4.650576
  C      -7.383544     -4.936496      3.606198
  C      -7.956444     -5.219751      2.196242
  C      -7.483390     -3.417792      3.793524
  C      -2.929451     -6.141395      8.791396
  C      -2.585629     -6.505212      7.544720
  C      -3.419528     -7.471803      6.753625
  C      -1.345085     -5.966214      6.881184
  C      -1.552468     -4.797273      5.846899
  C      -0.148845     -4.365097      5.363286
  C      -2.136041     -3.612426      6.611001
  H      -0.921631      1.442234      0.936958
  H      -1.741323      0.095918     -0.055890
  H      -1.515629      0.047010      4.120663
  H      -0.403765      1.132760      3.241217
  H       0.049299     -0.559304      3.586563
  H      -1.509008     -2.352285      2.752811
  H      -1.740727     -2.209057      1.001676
  H      -4.113566     -0.119615      1.027260
  H      -5.386280     -1.356733      1.203802
  H      -4.042912     -1.603637      0.062589
  H      -4.999916     -1.230125      3.638781
  H      -3.393341     -1.564071      4.349654
  H      -3.670555     -0.074363      3.399042
  H      -6.261595     -6.462236      6.262651
  H      -6.770810     -5.519573      7.788952
  H     -10.026449     -4.874946      6.804181
  H      -9.159861     -3.463560      6.201067
  H      -8.728047     -4.153479      7.792353
  H      -8.194729     -6.742198      4.495437
  H      -9.357179     -5.416314      4.404426
  H      -7.973479     -6.289351      1.947870
  H      -7.351267     -4.699084      1.439321
  H      -8.990263     -4.850039      2.124297
  H      -8.481803     -3.071101      3.489020
  H      -7.343466     -3.110966      4.835323
  H      -6.731587     -2.913437      3.168401
  H      -3.828728     -6.534200      9.271359
  H      -2.319497     -5.444156      9.370183
  H      -3.786075     -6.976716      5.840126
  H      -2.812905     -8.331216      6.422643
  H      -4.273273     -7.845948      7.334349
  H      -0.658811     -5.585866      7.653922
  H      -0.816441     -6.791865      6.376091
  H       0.414899     -5.194626      4.915901
  H       0.442366     -3.979236      6.206794
  H      -0.241777     -3.566571      4.611411
  H      -3.059879     -3.898749      7.130451
  H      -1.425609     -3.277920      7.380624
  H      -2.316070     -2.771607      5.925221
  N      -5.016961     -3.191672      5.555691
  H      -4.311519     -2.907038      6.236722
  H      -5.691614     -3.786060      6.054147
  H      -5.512292     -2.339927      5.278056
87
Coordinates from ORCA-job orca E -5422.579164787036
  N      -3.831897     -3.317334      2.310319
  C      -3.748593     -4.016528      1.009747
  C      -3.072733     -5.362542      1.186840
  N      -3.657117     -6.045908      2.369190
  C      -4.906966     -6.778205      2.042096
  C      -5.784204     -6.785502      3.289986
  N      -5.989422     -5.404917      3.727911
  Mo     -4.156559     -4.500886      3.872795
  N      -2.412725     -5.200379      4.704184
  C      -1.707173     -6.167216      3.847955
  C      -2.686357     -6.959672      3.013190
  H      -1.120121     -6.896226      4.437322
  H      -0.973179     -5.664784      3.185143
  H      -3.257314     -7.632803      3.666837
  H      -2.163610     -7.576193      2.255112
  H      -6.724722     -7.316406      3.063959
  H      -5.298020     -7.385038      4.082990
  H      -5.427292     -6.230675      1.244992
  H      -4.665342     -7.793339      1.672447
  H      -3.168412     -3.456653      0.256166
  H      -4.759285     -4.153572      0.575498
  H      -2.005095     -5.201129      1.393261
  H      -3.160024     -5.995365      0.283789
  C      -1.352362      0.438908      0.904635
  C      -1.389024     -0.338609      1.999285
  C      -0.804281      0.124879      3.306646
  C      -1.976626     -1.728869      1.977513
  C      -3.524100     -1.865486      2.197456
  C      -4.308193     -1.206114      1.047779
  C      -3.927167     -1.144954      3.480969
  C      -6.969004     -5.788903      6.748851
  C      -8.040916     -5.310556      6.092947
  C      -9.030912     -4.398347      6.764478
  C      -8.309379     -5.656557      4.650068
  C      -7.380355     -4.934633      3.607242
  C      -7.953934     -5.213413      2.196681
  C      -7.476694     -3.416136      3.797781
  C      -2.941582     -6.122197      8.785748
  C      -2.591983     -6.498887      7.544496
  C      -3.424040     -7.471465      6.758546
  C      -1.346539     -5.969077      6.882382
  C      -1.545221     -4.804303      5.841752
  C      -0.138333     -4.385531      5.355596
  C      -2.118867     -3.610026      6.598934
  H      -0.932593      1.446823      0.934402
  H      -1.739536      0.090259     -0.055044
  H      -1.541629      0.072932      4.122266
  H      -0.425955      1.154120      3.242393
  H       0.028814     -0.533831      3.605053
  H      -1.512247     -2.339920      2.768857
  H      -1.735229     -2.206979      1.015661
  H      -4.119311     -0.123880      1.026780
  H      -5.386473     -1.367763      1.197189
  H      -4.036381     -1.607428      0.062485
  H      -5.011144     -1.239830      3.636104
  H      -3.403760     -1.560936      4.351681
  H      -3.689773     -0.074836      3.397960
  H      -6.264795     -6.465387      6.265241
  H      -6.774213     -5.521815      7.790925
  H     -10.026538     -4.871022      6.802361
  H      -9.157599     -3.460985      6.199210
  H      -8.727990     -4.150810      7.791158
  H      -8.193866     -6.740363      4.494169
  H      -9.355458     -5.413531      4.402768
  H      -7.974811     -6.282492      1.946336
  H      -7.346762     -4.693531      1.440808
  H      -8.986369     -4.839808      2.125299
  H      -8.475399     -3.067295      3.496716
  H      -7.333234     -3.111598      4.839760
  H      -6.725708     -2.911929      3.171571
  H      -3.844377     -6.508311      9.264545
  H      -2.332972     -5.421035      9.361192
  H      -3.789086     -6.983965      5.840342
  H      -2.816859     -8.333592      6.435914
  H      -4.279510     -7.840736      7.339905
  H      -0.660892     -5.587928      7.655324
  H      -0.820098     -6.799892      6.383438
  H       0.419920     -5.222065      4.914489
  H       0.455053     -3.997808      6.196678
  H      -0.225226     -3.591770      4.598016
  H      -3.040299     -3.887681      7.127240
  H      -1.402232     -3.271885      7.361182
  H      -2.299928     -2.774668      5.906677
  N      -5.008141     -3.198572      5.561166
  H      -4.300494     -2.914660      6.240181
  H      -5.681540     -3.793331      6.060872
  H      -5.503772     -2.346192      5.286051
87
Coordinates from ORCA-job orca E -5422.579171544008
  N      -3.827849     -3.319339      2.311852
  C      -3.741292     -4.016800      1.010617
  C      -3.068866     -5.364757      1.187566
  N      -3.656774     -6.048300      2.367991
  C      -4.908055     -6.777090      2.037823
  C      -5.785877     -6.785848      3.285350
  N      -5.988977     -5.406062      3.726658
  Mo     -4.154485     -4.504860      3.872805
  N      -2.410691     -5.206726      4.702111
  C      -1.708570     -6.178399      3.848595
  C      -2.689674     -6.966191      3.011768
  H      -1.127220     -6.909987      4.440531
  H      -0.970022     -5.680935      3.187143
  H      -3.263602     -7.638504      3.663666
  H      -2.168245     -7.583389      2.253336
  H      -6.727105     -7.314940      3.058024
  H      -5.300472     -7.388063      4.076853
  H      -5.426718     -6.226231      1.241938
  H      -4.668298     -7.791765      1.665689
  H      -3.156627     -3.457202      0.260221
  H      -4.750378     -4.150726      0.571529
  H      -2.001146     -5.206455      1.395914
  H      -3.156071     -5.996080      0.283431
  C      -1.357839      0.442368      0.906720
  C      -1.395177     -0.330758      2.004487
  C      -0.816974      0.141122      3.311793
  C      -1.976650     -1.723677      1.985877
  C      -3.524439     -1.866352      2.200335
  C      -4.307590     -1.209735      1.048401
  C      -3.933514     -1.147413      3.482754
  C      -6.968025     -5.792614      6.748489
  C      -8.039009     -5.311591      6.092999
  C      -9.026829     -4.397489      6.765226
  C      -8.308364     -5.656151      4.650069
  C      -7.379113     -4.933459      3.607656
  C      -7.954406     -5.208912      2.197119
  C      -7.473203     -3.415237      3.800945
  C      -2.957262     -6.101292      8.778772
  C      -2.599395     -6.491485      7.544028
  C      -3.426438     -7.472895      6.763644
  C      -1.349472     -5.968850      6.884364
  C      -1.540519     -4.808993      5.836947
  C      -0.130953     -4.401887      5.348434
  C      -2.106264     -3.605817      6.586147
  H      -0.942384      1.452138      0.933862
  H      -1.740155      0.088141     -0.052871
  H      -1.556940      0.090217      4.125066
  H      -0.442598      1.171579      3.243924
  H       0.017766     -0.512646      3.616279
  H      -1.512669     -2.329765      2.781339
  H      -1.729392     -2.204110      1.026694
  H      -4.123575     -0.126674      1.028702
  H      -5.385563     -1.376690      1.194162
  H      -4.030493     -1.609205      0.063858
  H      -5.017340     -1.246818      3.635679
  H      -3.409847     -1.561229      4.354348
  H      -3.700749     -0.076308      3.399928
  H      -6.265488     -6.470488      6.264348
  H      -6.772140     -5.526352      7.790550
  H     -10.023117     -4.868693      6.804186
  H      -9.152535     -3.460040      6.199958
  H      -8.722517     -4.150362      7.791593
  H      -8.192909     -6.739738      4.492767
  H      -9.354396     -5.412424      4.403277
  H      -7.978618     -6.277611      1.945446
  H      -7.346238     -4.689860      1.441468
  H      -8.985760     -4.832156      2.126999
  H      -8.472683     -3.065083      3.503996
  H      -7.325692     -3.112488      4.842832
  H      -6.723914     -2.910783      3.172939
  H      -3.863288     -6.482261      9.255586
  H      -2.352346     -5.394194      9.350826
  H      -3.790602     -6.995206      5.839928
  H      -2.816294     -8.336550      6.450987
  H      -4.283107     -7.838821      7.345399
  H      -0.665813     -5.585478      7.658009
  H      -0.823415     -6.803904      6.392165
  H       0.422515     -5.244469      4.912952
  H       0.464375     -4.012164      6.187166
  H      -0.213064     -3.612584      4.585736
  H      -3.024923     -3.875584      7.123399
  H      -1.384022     -3.262411      7.340683
  H      -2.289916     -2.776886      5.886771
  N      -5.001312     -3.204709      5.565920
  H      -4.293043     -2.922491      6.245006
  H      -5.674209     -3.801030      6.064504
  H      -5.497226     -2.351517      5.293851
87
Coordinates from ORCA-job orca E -5422.579180000977
  N      -3.824096     -3.321395      2.313209
  C      -3.735357     -4.017461      1.011603
  C      -3.065508     -5.366768      1.188286
  N      -3.656460     -6.050141      2.367198
  C      -4.908979     -6.776011      2.034471
  C      -5.787961     -6.785276      3.281093
  N      -5.989645     -5.405860      3.724352
  Mo     -4.153575     -4.508084      3.873001
  N      -2.409179     -5.210551      4.700474
  C      -1.710099     -6.186838      3.849965
  C      -2.692583     -6.971048      3.011460
  H      -1.133991     -6.920447      4.444682
  H      -0.967283     -5.694106      3.189765
  H      -3.269277     -7.642475      3.661862
  H      -2.171869     -7.589001      2.253140
  H      -6.729675     -7.312877      3.052201
  H      -5.303937     -7.389384      4.072064
  H      -5.425673     -6.222606      1.239057
  H      -4.670871     -7.790542      1.660908
  H      -3.147794     -3.458047      0.263215
  H      -4.743369     -4.149165      0.569243
  H      -1.997769     -5.210974      1.398398
  H      -3.152654     -5.996937      0.283342
  C      -1.363670      0.446892      0.911174
  C      -1.398978     -0.326058      2.009149
  C      -0.821930      0.147944      3.316254
  C      -1.976280     -1.720782      1.990731
  C      -3.524046     -1.867625      2.202498
  C      -4.307714     -1.213211      1.049676
  C      -3.936667     -1.149953      3.484505
  C      -6.966695     -5.797956      6.746752
  C      -8.037341     -5.314074      6.092792
  C      -9.022931     -4.399159      6.767267
  C      -8.308332     -5.655841      4.649627
  C      -7.379359     -4.932183      3.607593
  C      -7.956074     -5.204773      2.197119
  C      -7.471567     -3.414194      3.803776
  C      -2.973561     -6.080329      8.770281
  C      -2.605625     -6.483649      7.542692
  C      -3.425282     -7.475457      6.767664
  C      -1.351947     -5.965860      6.886287
  C      -1.537030     -4.810564      5.832908
  C      -0.125374     -4.412732      5.342315
  C      -2.096187     -3.599961      6.575205
  H      -0.951000      1.457803      0.938218
  H      -1.744781      0.091399     -0.048430
  H      -1.561045      0.093580      4.130052
  H      -0.451966      1.179984      3.248303
  H       0.015891     -0.502321      3.619749
  H      -1.511952     -2.324509      2.787801
  H      -1.725405     -2.201394      1.032597
  H      -4.127275     -0.129577      1.030415
  H      -5.385203     -1.384181      1.194324
  H      -4.027980     -1.611689      0.065488
  H      -5.020203     -1.253366      3.636294
  H      -3.412576     -1.562164      4.356587
  H      -3.707309     -0.078128      3.401810
  H      -6.265708     -6.476382      6.261089
  H      -6.769471     -5.533378      7.788974
  H     -10.020063     -4.868608      6.805906
  H      -9.147236     -3.460360      6.203963
  H      -8.717428     -4.154729      7.793922
  H      -8.193859     -6.739213      4.490105
  H      -9.354298     -5.410667      4.403993
  H      -7.982978     -6.273102      1.944117
  H      -7.347089     -4.686184      1.441796
  H      -8.986564     -4.825458      2.128193
  H      -8.471240     -3.062459      3.509337
  H      -7.321880     -3.113663      4.845997
  H      -6.722858     -2.909350      3.175403
  H      -3.882474     -6.457730      9.244448
  H      -2.374113     -5.366070      9.339194
  H      -3.789064     -7.007951      5.838575
  H      -2.810296     -8.339189      6.465033
  H      -4.282537     -7.839785      7.349559
  H      -0.671028     -5.579752      7.661007
  H      -0.825095     -6.803740      6.399823
  H       0.424162     -5.260071      4.911226
  H       0.471672     -4.021190      6.178895
  H      -0.204441     -3.627111      4.575499
  H      -3.011562     -3.863053      7.121351
  H      -1.368442     -3.251283      7.321983
  H      -2.283847     -2.777277      5.869599
  N      -4.997179     -3.208824      5.569314
  H      -4.289763     -2.927688      6.249715
  H      -5.669593     -3.807622      6.065693
  H      -5.494817     -2.355502      5.300669
87
Coordinates from ORCA-job orca E -5422.579186766894
  N      -3.822342     -3.321973      2.313435
  C      -3.733107     -4.017870      1.011952
  C      -3.063924     -5.367514      1.188717
  N      -3.656313     -6.050385      2.367307
  C      -4.909269     -6.775319      2.033286
  C      -5.789796     -6.783971      3.278662
  N      -5.991436     -5.404228      3.721677
  Mo     -4.154297     -4.508635      3.873081
  N      -2.409333     -5.209801      4.699923
  C      -1.711178     -6.188724      3.851844
  C      -2.693796     -6.971945      3.012544
  H      -1.137769     -6.922865      4.448604
  H      -0.966011     -5.698549      3.192393
  H      -3.271795     -7.643082      3.662104
  H      -2.172705     -7.590233      2.254734
  H      -6.731566     -7.310834      3.048303
  H      -5.307437     -7.388546      4.070340
  H      -5.424456     -6.221321      1.237296
  H      -4.671598     -7.790029      1.659986
  H      -3.145325     -3.458455      0.263703
  H      -4.741029     -4.149161      0.569116
  H      -1.996236     -5.212574      1.399670
  H      -3.151092     -5.997610      0.283765
  C      -1.365525      0.449625      0.914417
  C      -1.397933     -0.326616      2.010135
  C      -0.817833      0.143493      3.317307
  C      -1.974954     -1.721468      1.989547
  C      -3.522401     -1.868222      2.202778
  C      -4.307477     -1.213651      1.051017
  C      -3.933626     -1.150609      3.485411
  C      -6.962165     -5.802902      6.743885
  C      -8.034364     -5.317737      6.093442
  C      -9.018304     -4.404189      6.772122
  C      -8.308610     -5.656533      4.650213
  C      -7.381543     -4.931574      3.607527
  C      -7.959830     -5.203181      2.197524
  C      -7.473741     -3.413764      3.805296
  C      -2.989119     -6.067585      8.761987
  C      -2.610729     -6.479030      7.540258
  C      -3.421014     -7.480418      6.767744
  C      -1.354959     -5.960877      6.888278
  C      -1.537237     -4.807972      5.831740
  C      -0.124475     -4.413957      5.340821
  C      -2.094117     -3.593831      6.570054
  H      -0.953248      1.460632      0.943622
  H      -1.748552      0.096948     -0.045442
  H      -1.553728      0.082344      4.133551
  H      -0.451773      1.177135      3.252781
  H       0.023539     -0.505217      3.614312
  H      -1.509817     -2.326145      2.785366
  H      -1.724410     -2.200561      1.030581
  H      -4.127225     -0.130001      1.031563
  H      -5.384673     -1.384912      1.197392
  H      -4.029069     -1.612206      0.066486
  H      -5.017163     -1.253360      3.637436
  H      -3.410185     -1.564055      4.357256
  H      -3.702701     -0.079064      3.403446
  H      -6.262239     -6.480371      6.255374
  H      -6.762758     -5.540393      7.786189
  H     -10.015733     -4.872994      6.810659
  H      -9.142761     -3.463521      6.211976
  H      -8.711010     -4.163262      7.799057
  H      -8.195160     -6.739690      4.488435
  H      -9.354939     -5.410382      4.407129
  H      -7.987405     -6.271315      1.943799
  H      -7.351342     -4.684284      1.442020
  H      -8.990251     -4.823421      2.129971
  H      -8.473560     -3.061434      3.512087
  H      -7.323212     -3.114451      4.847756
  H      -6.725537     -2.908381      3.176783
  H      -3.899795     -6.444985      9.232712
  H      -2.396512     -5.346724      9.329739
  H      -3.784656     -7.020645      5.834737
  H      -2.799544     -8.342065      6.472612
  H      -4.278094     -7.846645      7.348668
  H      -0.677822     -5.572205      7.665006
  H      -0.825133     -6.798738      6.405122
  H       0.423164     -5.262987      4.910734
  H       0.473318     -4.022570      6.176872
  H      -0.202369     -3.629060      4.573115
  H      -3.007436     -3.853673      7.121318
  H      -1.363491     -3.241229      7.312116
  H      -2.285312     -2.775222      5.860845
  N      -4.996787     -3.209027      5.569909
  H      -4.291519     -2.929150      6.253081
  H      -5.669728     -3.809936      6.063155
  H      -5.495693     -2.355627      5.303564
87
Coordinates from ORCA-job orca E -5422.579190862334
  N      -3.821883     -3.322922      2.313084
  C      -3.730854     -4.018688      1.011812
  C      -3.062107     -5.368327      1.189481
  N      -3.656165     -6.050816      2.367447
  C      -4.909703     -6.774281      2.032479
  C      -5.791480     -6.782694      3.276873
  N      -5.992137     -5.402887      3.720450
  Mo     -4.154253     -4.509167      3.873063
  N      -2.408313     -5.209445      4.699019
  C      -1.711933     -6.191251      3.853053
  C      -2.695413     -6.973221      3.013640
  H      -1.141229     -6.926168      4.451519
  H      -0.964604     -5.703813      3.194076
  H      -3.274740     -7.643396      3.663025
  H      -2.174544     -7.592542      2.256478
  H      -6.733648     -7.307960      3.044634
  H      -5.311226     -7.388455      4.068938
  H      -5.423632     -6.219407      1.236269
  H      -4.672836     -7.789080      1.658926
  H      -3.142152     -3.459056      0.264477
  H      -4.738274     -4.149756      0.567688
  H      -1.994734     -5.213437      1.402064
  H      -3.148248     -5.998566      0.284551
  C      -1.364761      0.449365      0.917025
  C      -1.398749     -0.326879      2.012667
  C      -0.821252      0.143315      3.320968
  C      -1.975355     -1.721910      1.991528
  C      -3.522965     -1.868951      2.202343
  C      -4.306421     -1.215416      1.048866
  C      -3.937330     -1.150450      3.483615
  C      -6.958493     -5.807386      6.741567
  C      -8.031935     -5.320943      6.094165
  C      -9.014903     -4.409294      6.776725
  C      -8.308557     -5.656220      4.650476
  C      -7.382358     -4.930067      3.608201
  C      -7.961475     -5.199215      2.198104
  C      -7.473800     -3.412545      3.808493
  C      -3.001333     -6.056366      8.754603
  C      -2.614851     -6.474889      7.537812
  C      -3.418605     -7.482790      6.767153
  C      -1.356739     -5.958140      6.889550
  C      -1.535473     -4.807165      5.830243
  C      -0.121233     -4.418538      5.338951
  C      -2.088478     -3.589481      6.565654
  H      -0.953019      1.460573      0.946935
  H      -1.745837      0.096531     -0.043545
  H      -1.558353      0.080672      4.136006
  H      -0.456411      1.177456      3.257566
  H       0.020520     -0.504512      3.618882
  H      -1.511499     -2.325979      2.788515
  H      -1.722941     -2.201666      1.033364
  H      -4.126116     -0.131790      1.028740
  H      -5.383822     -1.386407      1.194042
  H      -4.026969     -1.614862      0.064975
  H      -5.020979     -1.255048      3.633868
  H      -3.415112     -1.561807      4.357051
  H      -3.707521     -0.078701      3.400993
  H      -6.259164     -6.483471      6.250311
  H      -6.757725     -5.547464      7.784263
  H     -10.012625     -4.877535      6.814271
  H      -9.139198     -3.466585      6.219927
  H      -8.706666     -4.172097      7.804241
  H      -8.196823     -6.739228      4.486362
  H      -9.354978     -5.408461      4.409434
  H      -7.989504     -6.266886      1.942476
  H      -7.353130     -4.679167      1.443280
  H      -8.991831     -4.819050      2.131717
  H      -8.473377     -3.058920      3.516010
  H      -7.322962     -3.115124      4.851497
  H      -6.725492     -2.906661      3.180549
  H      -3.914011     -6.432525      9.222433
  H      -2.413411     -5.330898      9.321362
  H      -3.781045     -7.028076      5.831222
  H      -2.792997     -8.343327      6.477707
  H      -4.276112     -7.849722      7.346959
  H      -0.682331     -5.568059      7.667918
  H      -0.825350     -6.796707      6.409338
  H       0.423889     -5.269994      4.910519
  H       0.477474     -4.027624      6.174535
  H      -0.196464     -3.634626      4.569942
  H      -2.999595     -3.845916      7.122229
  H      -1.354355     -3.234135      7.302909
  H      -2.282580     -2.774082      5.853665
  N      -4.994748     -3.209531      5.570297
  H      -4.289833     -2.930725      6.254244
  H      -5.668298     -3.810378      6.062858
  H      -5.493616     -2.355661      5.305213
87
Coordinates from ORCA-job orca E -5422.579194935098
  N      -3.825011     -3.321245      2.311942
  C      -3.735304     -4.017991      1.011115
  C      -3.064048     -5.366273      1.189113
  N      -3.656292     -6.048952      2.367926
  C      -4.909029     -6.774191      2.034364
  C      -5.790906     -6.782413      3.278583
  N      -5.993134     -5.402223      3.720656
  Mo     -4.156296     -4.506668      3.872816
  N      -2.409318     -5.204465      4.698691
  C      -1.711277     -6.185062      3.852793
  C      -2.693747     -6.969164      3.014084
  H      -1.138896     -6.918889      4.450988
  H      -0.965151     -5.696228      3.193484
  H      -3.271428     -7.640279      3.663924
  H      -2.171838     -7.587861      2.257071
  H      -6.732592     -7.308266      3.045934
  H      -5.310952     -7.387201      4.071569
  H      -5.423893     -6.220890      1.237653
  H      -4.671047     -7.789086      1.661734
  H      -3.149426     -3.457769      0.262142
  H      -4.743576     -4.151291      0.569623
  H      -1.996923     -5.209023      1.401157
  H      -3.149583     -5.997554      0.284865
  C      -1.357696      0.445686      0.917389
  C      -1.392886     -0.333045      2.011166
  C      -0.812305      0.131710      3.320029
  C      -1.974280     -1.726049      1.988006
  C      -3.522041     -1.868199      2.201060
  C      -4.304606     -1.211716      1.048570
  C      -3.932930     -1.148294      3.482675
  C      -6.954527     -5.806017      6.742561
  C      -8.030489     -5.323017      6.096815
  C      -9.015423     -4.414738      6.780880
  C      -8.308312     -5.658800      4.653282
  C      -7.384440     -4.931829      3.609825
  C      -7.964340     -5.202158      2.200270
  C      -7.477906     -3.414357      3.809613
  C      -3.008845     -6.058337      8.749195
  C      -2.616585     -6.475955      7.533956
  C      -3.413703     -7.487287      6.760985
  C      -1.358540     -5.954551      6.889528
  C      -1.538278     -4.802446      5.831453
  C      -0.124152     -4.411396      5.341899
  C      -2.093820     -3.586710      6.568006
  H      -0.942749      1.455534      0.949168
  H      -1.740915      0.096386     -0.043612
  H      -1.548063      0.067114      4.136118
  H      -0.445937      1.165508      3.259793
  H       0.028999     -0.518521      3.614114
  H      -1.511202     -2.333296      2.783017
  H      -1.725146     -2.204937      1.028546
  H      -4.119914     -0.128816      1.027998
  H      -5.382565     -1.377867      1.195278
  H      -4.028499     -1.612452      0.064252
  H      -5.016913     -1.248789      3.633716
  H      -3.411951     -1.561454      4.355957
  H      -3.698833     -0.077447      3.400285
  H      -6.253580     -6.479739      6.250449
  H      -6.753673     -5.545851      7.785181
  H     -10.012092     -4.885200      6.818292
  H      -9.142147     -3.471714      6.225064
  H      -8.707294     -4.177771      7.808481
  H      -8.196118     -6.741835      4.489510
  H      -9.355360     -5.412233      4.413736
  H      -7.990378     -6.269859      1.944586
  H      -7.357672     -4.680834      1.444994
  H      -8.995564     -4.824180      2.134732
  H      -8.477678     -3.061721      3.516646
  H      -7.327688     -3.116474      4.852600
  H      -6.730064     -2.907941      3.181535
  H      -3.921643     -6.437684      9.214165
  H      -2.425570     -5.330509      9.317731
  H      -3.775699     -7.033284      5.824511
  H      -2.783535     -8.344826      6.472597
  H      -4.270914     -7.858477      7.338478
  H      -0.687211     -5.563562      7.670058
  H      -0.823458     -6.790570      6.409024
  H       0.421843     -5.261323      4.911548
  H       0.473795     -4.022404      6.178961
  H      -0.199236     -3.625335      4.575070
  H      -3.005911     -3.844948      7.122116
  H      -1.361393     -3.231749      7.307104
  H      -2.287476     -2.770229      5.857150
  N      -4.997627     -3.205427      5.566971
  H      -4.293308     -2.924240      6.250597
  H      -5.670699     -3.805303      6.061424
  H      -5.497281     -2.352724      5.299508
87
Coordinates from ORCA-job orca E -5422.579197766497
  N      -3.826588     -3.321241      2.311160
  C      -3.735966     -4.018414      1.010468
  C      -3.064244     -5.366353      1.189390
  N      -3.656682     -6.049004      2.368063
  C      -4.909462     -6.773971      2.034678
  C      -5.791419     -6.782125      3.278878
  N      -5.993221     -5.401904      3.721035
  Mo     -4.156670     -4.506184      3.872523
  N      -2.408838     -5.203550      4.697809
  C      -1.711434     -6.185161      3.852557
  C      -2.694388     -6.969204      3.014271
  H      -1.139548     -6.919073      4.451116
  H      -0.965038     -5.697155      3.192975
  H      -3.272025     -7.639978      3.664468
  H      -2.172754     -7.588422      2.257463
  H      -6.733267     -7.307401      3.045636
  H      -5.312031     -7.387290      4.071905
  H      -5.424534     -6.220778      1.238015
  H      -4.671661     -7.788907      1.661988
  H      -3.149822     -3.458136      0.261825
  H      -4.743973     -4.152252      0.568598
  H      -1.997382     -5.208229      1.402100
  H      -3.148738     -5.998076      0.285332
  C      -1.353022      0.442685      0.918731
  C      -1.392356     -0.334422      2.013505
  C      -0.816135      0.131870      3.323734
  C      -1.974584     -1.727036      1.990407
  C      -3.522872     -1.868323      2.200311
  C      -4.302313     -1.211666      1.045720
  C      -3.936315     -1.147423      3.480482
  C      -6.951712     -5.806508      6.742584
  C      -8.028861     -5.324244      6.098266
  C      -9.014150     -4.417585      6.783905
  C      -8.307803     -5.659040      4.654611
  C      -7.384648     -4.931397      3.611147
  C      -7.965088     -5.200824      2.201642
  C      -7.478204     -3.414043      3.811794
  C      -3.015239     -6.054698      8.744405
  C      -2.618592     -6.474728      7.531430
  C      -3.411824     -7.488936      6.758234
  C      -1.359274     -5.953215      6.889559
  C      -1.537499     -4.801764      5.830456
  C      -0.122788     -4.412868      5.341104
  C      -2.091824     -3.584957      6.566042
  H      -0.937636      1.452362      0.950351
  H      -1.733270      0.092165     -0.043013
  H      -1.555064      0.069591      4.137141
  H      -0.448345      1.165157      3.263246
  H       0.023256     -0.518811      3.622259
  H      -1.513586     -2.334083      2.786812
  H      -1.724170     -2.206965      1.031773
  H      -4.116287     -0.128982      1.025096
  H      -5.380872     -1.376191      1.189917
  H      -4.024637     -1.613037      0.062109
  H      -5.020539     -1.248083      3.629994
  H      -3.416383     -1.559081      4.355068
  H      -3.702621     -0.076529      3.397322
  H      -6.250383     -6.478994      6.249325
  H      -6.750330     -5.547055      7.785282
  H     -10.010457     -4.888789      6.821520
  H      -9.141920     -3.474171      6.228943
  H      -8.705608     -4.181169      7.811516
  H      -8.196077     -6.742032      4.490191
  H      -9.355041     -5.412170      4.416195
  H      -7.990411     -6.268310      1.944961
  H      -7.359120     -4.678375      1.446583
  H      -8.996637     -4.823600      2.136879
  H      -8.478007     -3.061321      3.519050
  H      -7.327815     -3.116611      4.854891
  H      -6.730489     -2.907327      3.183804
  H      -3.929005     -6.434152      9.207405
  H      -2.434718     -5.324781      9.313082
  H      -3.772541     -7.036816      5.820327
  H      -2.779381     -8.345656      6.472505
  H      -4.269758     -7.860927      7.334146
  H      -0.689925     -5.561232      7.671290
  H      -0.822489     -6.789239      6.410952
  H       0.422275     -5.263743      4.911459
  H       0.475347     -4.024448      6.178344
  H      -0.195957     -3.626949      4.573969
  H      -3.003869     -3.842358      7.120622
  H      -1.358977     -3.229675      7.304573
  H      -2.285117     -2.768878      5.854547
  N      -4.996619     -3.205115      5.566393
  H      -4.291136     -2.923181      6.248523
  H      -5.669245     -3.803587      6.063127
  H      -5.495734     -2.352395      5.298035
87
Coordinates from ORCA-job orca E -5422.579200282222
  N      -3.828486     -3.320796      2.310759
  C      -3.738159     -4.018507      1.010101
  C      -3.065516     -5.365928      1.189409
  N      -3.657194     -6.048758      2.368255
  C      -4.909649     -6.774367      2.035582
  C      -5.791179     -6.782300      3.280189
  N      -5.993302     -5.402030      3.721747
  Mo     -4.157562     -4.505422      3.872339
  N      -2.409086     -5.202284      4.697517
  C      -1.711317     -6.183435      3.851934
  C      -2.694092     -6.968309      3.014044
  H      -1.138503     -6.916903      4.450126
  H      -0.965756     -5.694843      3.191819
  H      -3.270963     -7.639374      3.664586
  H      -2.172453     -7.587400      2.257138
  H      -6.732872     -7.308076      3.047366
  H      -5.311228     -7.386981      4.073237
  H      -5.425547     -6.221967      1.238889
  H      -4.671586     -7.789399      1.663278
  H      -3.152539     -3.458332      0.261008
  H      -4.746271     -4.153232      0.568879
  H      -1.998779     -5.206730      1.401960
  H      -3.149358     -5.998040      0.285527
  C      -1.348982      0.440156      0.919507
  C      -1.390813     -0.336212      2.014721
  C      -0.815750      0.130180      3.325423
  C      -1.974501     -1.728167      1.991298
  C      -3.523250     -1.868208      2.199856
  C      -4.300682     -1.210872      1.044279
  C      -3.937241     -1.146849      3.479446
  C      -6.950464     -5.805063      6.743670
  C      -8.028299     -5.324063      6.099479
  C      -9.014247     -4.418035      6.785014
  C      -8.307495     -5.659510      4.655967
  C      -7.384818     -4.931789      3.612143
  C      -7.965470     -5.201604      2.202792
  C      -7.478889     -3.414406      3.812488
  C      -3.017499     -6.056009      8.741841
  C      -2.618729     -6.475468      7.529377
  C      -3.409435     -7.490711      6.755003
  C      -1.359223     -5.952342      6.889066
  C      -1.537948     -4.800687      5.830313
  C      -0.123527     -4.410812      5.341296
  C      -2.093370     -3.584749      6.566430
  H      -0.932378      1.449345      0.950994
  H      -1.728430      0.089438     -0.042501
  H      -1.556130      0.070459      4.137693
  H      -0.445624      1.162622      3.264586
  H       0.021695     -0.521984      3.626123
  H      -1.514638     -2.335997      2.787800
  H      -1.724357     -2.208138      1.032600
  H      -4.113255     -0.128408      1.023835
  H      -5.379688     -1.373898      1.186916
  H      -4.022217     -1.612495      0.061007
  H      -5.021524     -1.247123      3.628836
  H      -3.417152     -1.557914      4.354253
  H      -3.703799     -0.075936      3.395667
  H      -6.248511     -6.476950      6.250458
  H      -6.749016     -5.545088      7.786239
  H     -10.010109     -4.890135      6.823288
  H      -9.143043     -3.475107      6.229425
  H      -8.705662     -4.180564      7.812380
  H      -8.195547     -6.742527      4.491917
  H      -9.354878     -5.412953      4.417849
  H      -7.989687     -6.269113      1.946051
  H      -7.360237     -4.678501      1.447583
  H      -8.997446     -4.825485      2.138321
  H      -8.478775     -3.062280      3.519307
  H      -7.328841     -3.116607      4.855533
  H      -6.731104     -2.907548      3.184653
  H      -3.931392     -6.436779      9.203553
  H      -2.438753     -5.325311      9.311325
  H      -3.769203     -7.039120      5.816447
  H      -2.775579     -8.346759      6.470446
  H      -4.268111     -7.863496      7.329327
  H      -0.691277     -5.559545      7.671605
  H      -0.820626     -6.787601      6.411169
  H       0.421958     -5.261200      4.911190
  H       0.474414     -4.022757      6.178903
  H      -0.196555     -3.624374      4.574709
  H      -3.006349     -3.843388      7.118813
  H      -1.361954     -3.230350      7.306838
  H      -2.285132     -2.767503      5.855744
  N      -4.997310     -3.204161      5.565314
  H      -4.290536     -2.920287      6.245322
  H      -5.668894     -3.801297      6.064997
  H      -5.496412     -2.352030      5.295224
87
Coordinates from ORCA-job orca E -5422.579201722569
  N      -3.828644     -3.320943      2.310853
  C      -3.738273     -4.018859      1.010152
  C      -3.065658     -5.366265      1.189665
  N      -3.657418     -6.049050      2.368443
  C      -4.909886     -6.774615      2.035694
  C      -5.791388     -6.782146      3.280410
  N      -5.993386     -5.401848      3.721716
  Mo     -4.157798     -4.505441      3.872404
  N      -2.409154     -5.202496      4.697685
  C      -1.711546     -6.183884      3.852136
  C      -2.694303     -6.968740      3.014121
  H      -1.138797     -6.917298      4.450446
  H      -0.965989     -5.695461      3.191875
  H      -3.271265     -7.639824      3.664556
  H      -2.172785     -7.587834      2.257165
  H      -6.733054     -7.308170      3.047910
  H      -5.311126     -7.386650      4.073418
  H      -5.425814     -6.222406      1.238885
  H      -4.671968     -7.789782      1.663686
  H      -3.152365     -3.459007      0.261024
  H      -4.746312     -4.153605      0.568845
  H      -1.998934     -5.207041      1.402289
  H      -3.149220     -5.998393      0.285746
  C      -1.348325      0.439827      0.919957
  C      -1.391095     -0.335971      2.015569
  C      -0.817381      0.131340      3.326521
  C      -1.974487     -1.728012      1.991986
  C      -3.523397     -1.868362      2.199753
  C      -4.300189     -1.211259      1.043661
  C      -3.937865     -1.147055      3.479158
  C      -6.949631     -5.804892      6.743805
  C      -8.027530     -5.323592      6.099899
  C      -9.013045     -4.417267      6.785713
  C      -8.307308     -5.659006      4.656518
  C      -7.384746     -4.931407      3.612387
  C      -7.965698     -5.201396      2.203194
  C      -7.478712     -3.413973      3.812578
  C      -3.020250     -6.055546      8.739730
  C      -2.619279     -6.475774      7.528258
  C      -3.407813     -7.492588      6.753717
  C      -1.359275     -5.952069      6.889235
  C      -1.537779     -4.800734      5.830142
  C      -0.123442     -4.410943      5.341025
  C      -2.093324     -3.584587      6.565881
  H      -0.931877      1.449084      0.951278
  H      -1.726906      0.088505     -0.042179
  H      -1.558843      0.073179      4.137933
  H      -0.446366      1.163425      3.265064
  H       0.019137     -0.521155      3.629023
  H      -1.514861     -2.335875      2.788601
  H      -1.724049     -2.207768      1.033255
  H      -4.113017     -0.128738      1.023458
  H      -5.379268     -1.374654      1.185309
  H      -4.020659     -1.612633      0.060602
  H      -5.022068     -1.247770      3.628639
  H      -3.417198     -1.557653      4.353865
  H      -3.705300     -0.075965      3.395026
  H      -6.247929     -6.476906      6.250369
  H      -6.747688     -5.544943      7.786285
  H     -10.008876     -4.889379      6.824777
  H      -9.142128     -3.474571      6.229815
  H      -8.703890     -4.179387      7.812816
  H      -8.195510     -6.742006      4.492332
  H      -9.354698     -5.412180      4.418712
  H      -7.989589     -6.268936      1.946535
  H      -7.360783     -4.678167      1.447808
  H      -8.997808     -4.825602      2.138959
  H      -8.478666     -3.062076      3.519359
  H      -7.328584     -3.115935      4.855540
  H      -6.730880     -2.907159      3.184745
  H      -3.934540     -6.436770      9.200300
  H      -2.443064     -5.323796      9.309446
  H      -3.766374     -7.042780      5.813816
  H      -2.772846     -8.348626      6.471627
  H      -4.267456     -7.865031      7.326842
  H      -0.692466     -5.558473      7.672362
  H      -0.819503     -6.787185      6.412441
  H       0.421983     -5.261386      4.910948
  H       0.474616     -4.022790      6.178519
  H      -0.196458     -3.624589      4.574361
  H      -3.006758     -3.843302      7.117457
  H      -1.362447     -3.230458      7.306974
  H      -2.284127     -2.767148      5.855124
  N      -4.997093     -3.204221      5.565411
  H      -4.289343     -2.919714      6.244149
  H      -5.668168     -3.800714      6.066483
  H      -5.496085     -2.352205      5.294836
87
Coordinates from ORCA-job orca E -5422.579204341727
  N      -3.828270     -3.321116      2.311218
  C      -3.738223     -4.019252      1.010468
  C      -3.065812     -5.366701      1.190076
  N      -3.657691     -6.049352      2.368846
  C      -4.910140     -6.775032      2.035970
  C      -5.791761     -6.781745      3.280684
  N      -5.993763     -5.401336      3.721278
  Mo     -4.158274     -4.505459      3.872586
  N      -2.409731     -5.202690      4.698583
  C      -1.712045     -6.183952      3.852824
  C      -2.694441     -6.969052      3.014556
  H      -1.139036     -6.917089      4.451210
  H      -0.966699     -5.695322      3.192445
  H      -3.271573     -7.640303      3.664680
  H      -2.172826     -7.587952      2.257561
  H      -6.733323     -7.308313      3.048818
  H      -5.311049     -7.385729      4.073852
  H      -5.425833     -6.223221      1.238729
  H      -4.672306     -7.790468      1.664710
  H      -3.152111     -3.459892      0.261082
  H      -4.746345     -4.153811      0.569361
  H      -1.999051     -5.207645      1.402697
  H      -3.149252     -5.998803      0.286114
  C      -1.348821      0.440294      0.920023
  C      -1.391337     -0.335538      2.015670
  C      -0.817429      0.132012      3.326445
  C      -1.974367     -1.727702      1.991662
  C      -3.523305     -1.868503      2.199626
  C      -4.300308     -1.211971      1.043481
  C      -3.937695     -1.147399      3.479154
  C      -6.948855     -5.805249      6.743193
  C      -8.026666     -5.322906      6.099833
  C      -9.011118     -4.415811      6.786229
  C      -8.307381     -5.658070      4.656638
  C      -7.384885     -4.930767      3.612068
  C      -7.966088     -5.201220      2.203082
  C      -7.478741     -3.413251      3.811901
  C      -3.021833     -6.056844      8.738497
  C      -2.619080     -6.476933      7.527564
  C      -3.405483     -7.495012      6.752687
  C      -1.359017     -5.951997      6.889612
  C      -1.538153     -4.800696      5.830720
  C      -0.124271     -4.409779      5.341362
  C      -2.094527     -3.585027      6.566760
  H      -0.932471      1.449589      0.951290
  H      -1.727579      0.088872     -0.042009
  H      -1.559197      0.075717      4.137713
  H      -0.444948      1.163513      3.264166
  H       0.018039     -0.521427      3.629748
  H      -1.514354     -2.335915      2.787771
  H      -1.724155     -2.206691      1.032502
  H      -4.113874     -0.129315      1.023369
  H      -5.379278     -1.376335      1.184762
  H      -4.019965     -1.613027      0.060526
  H      -5.021735     -1.248776      3.629052
  H      -3.416086     -1.557716      4.353453
  H      -3.706191     -0.076099      3.394750
  H      -6.247895     -6.477696      6.249239
  H      -6.745937     -5.545596      7.785567
  H     -10.007078     -4.887566      6.826411
  H      -9.140314     -3.473279      6.230115
  H      -8.700922     -4.177728      7.812970
  H      -8.195912     -6.741044      4.492124
  H      -9.354728     -5.410717      4.419211
  H      -7.989586     -6.268840      1.946726
  H      -7.361484     -4.677987      1.447442
  H      -8.998342     -4.825791      2.138999
  H      -8.478719     -3.061627      3.518424
  H      -7.328783     -3.114847      4.854783
  H      -6.730717     -2.906516      3.184213
  H      -3.936305     -6.438993      9.197970
  H      -2.446086     -5.324372      9.308733
  H      -3.761954     -7.047240      5.811009
  H      -2.769677     -8.351542      6.473919
  H      -4.266657     -7.866377      7.324229
  H      -0.693202     -5.557733      7.673265
  H      -0.818046     -6.786606      6.413324
  H       0.421551     -5.259685      4.910718
  H       0.473897     -4.021398      6.178664
  H      -0.198310     -3.623276      4.574941
  H      -3.008439     -3.844515      7.117154
  H      -1.364465     -3.231413      7.308923
  H      -2.284493     -2.767049      5.856404
  N      -4.997528     -3.203771      5.565284
  H      -4.288597     -2.918748      6.242556
  H      -5.668263     -3.799426      6.067726
  H      -5.496388     -2.351884      5.294151
87
Coordinates from ORCA-job orca E -5422.579206860969
  N      -3.826773     -3.321556      2.311908
  C      -3.736622     -4.019558      1.011079
  C      -3.065023     -5.367362      1.190678
  N      -3.657670     -6.049844      2.369178
  C      -4.910311     -6.775104      2.035537
  C      -5.792422     -6.781156      3.279912
  N      -5.994156     -5.400705      3.720237
  Mo     -4.158358     -4.505939      3.872929
  N      -2.410200     -5.203795      4.699777
  C      -1.712819     -6.185470      3.854164
  C      -2.694917     -6.970094      3.015164
  H      -1.140423     -6.918700      4.453034
  H      -0.966924     -5.697220      3.194109
  H      -3.272805     -7.641482      3.664487
  H      -2.173130     -7.588756      2.258141
  H      -6.733979     -7.307900      3.048328
  H      -5.311665     -7.385028      4.073190
  H      -5.425119     -6.223135      1.237833
  H      -4.672770     -7.790766      1.664798
  H      -3.149743     -3.460633      0.261912
  H      -4.744671     -4.153298      0.569548
  H      -1.998211     -5.209057      1.403621
  H      -3.148474     -5.999182      0.286521
  C      -1.350926      0.441636      0.919382
  C      -1.392568     -0.333942      2.015288
  C      -0.819125      0.134817      3.325820
  C      -1.974287     -1.726656      1.991409
  C      -3.523036     -1.868685      2.199907
  C      -4.301062     -1.213080      1.044038
  C      -3.937384     -1.148007      3.479753
  C      -6.948032     -5.806398      6.742157
  C      -8.025546     -5.322363      6.099582
  C      -9.008483     -4.414322      6.786959
  C      -8.307446     -5.656825      4.656555
  C      -7.385011     -4.929837      3.611482
  C      -7.966760     -5.200442      2.202781
  C      -7.478390     -3.412289      3.811264
  C      -3.025402     -6.056051      8.736635
  C      -2.619788     -6.477633      7.527167
  C      -3.403363     -7.498087      6.752634
  C      -1.359169     -5.952248      6.890665
  C      -1.538052     -4.801436      5.831263
  C      -0.124259     -4.410828      5.341387
  C      -2.094055     -3.585126      6.566699
  H      -0.935526      1.451320      0.950337
  H      -1.729498      0.089520     -0.042461
  H      -1.561510      0.080591      4.136676
  H      -0.445585      1.165837      3.262157
  H       0.015428     -0.519063      3.630640
  H      -1.513475     -2.334475      2.787325
  H      -1.723861     -2.205176      1.032090
  H      -4.116213     -0.130156      1.024046
  H      -5.379718     -1.379312      1.185412
  H      -4.019997     -1.613569      0.061059
  H      -5.021255     -1.250400      3.629927
  H      -3.414959     -1.558190      4.353626
  H      -3.706988     -0.076466      3.395395
  H      -6.248251     -6.479549      6.247463
  H      -6.743951     -5.547441      7.784467
  H     -10.004698     -4.885446      6.828354
  H      -9.137672     -3.471751      6.230960
  H      -8.696893     -4.176487      7.813328
  H      -8.196515     -6.739746      4.491399
  H      -9.354720     -5.408718      4.419664
  H      -7.990384     -6.268104      1.946641
  H      -7.362346     -4.677399      1.446855
  H      -8.998993     -4.824908      2.139040
  H      -8.478470     -3.060592      3.518226
  H      -7.327933     -3.113773      4.854040
  H      -6.730509     -2.905678      3.183316
  H      -3.940505     -6.438382      9.194672
  H      -2.451519     -5.322197      9.306958
  H      -3.756129     -7.053953      5.807827
  H      -2.766624     -8.355838      6.479737
  H      -4.266938     -7.867099      7.322083
  H      -0.694482     -5.557295      7.674929
  H      -0.817254     -6.786795      6.415351
  H       0.421372     -5.260910      4.910856
  H       0.474239     -4.021951      6.178192
  H      -0.198909     -3.624757      4.574563
  H      -3.008148     -3.843992      7.117101
  H      -1.363917     -3.231554      7.308806
  H      -2.283451     -2.767476      5.855855
  N      -4.997230     -3.203651      5.565692
  H      -4.287001     -2.918827      6.241655
  H      -5.667912     -3.798492      6.069086
  H      -5.495863     -2.351626      5.294584
87
Coordinates from ORCA-job orca E -5422.579210736371
  N      -3.824731     -3.321938      2.312595
  C      -3.734607     -4.019732      1.011713
  C      -3.064155     -5.368058      1.191294
  N      -3.657785     -6.050245      2.369554
  C      -4.910583     -6.775141      2.035035
  C      -5.793437     -6.780380      3.278803
  N      -5.994899     -5.399766      3.718559
  Mo     -4.158625     -4.506341      3.873168
  N      -2.411320     -5.204798      4.701563
  C      -1.714018     -6.186555      3.855896
  C      -2.695589     -6.970877      3.016125
  H      -1.141970     -6.919801      4.455096
  H      -0.967721     -5.698350      3.196265
  H      -3.274270     -7.642530      3.664479
  H      -2.173292     -7.589186      2.259193
  H      -6.735032     -7.307137      3.047375
  H      -5.312970     -7.384097      4.072431
  H      -5.424162     -6.223085      1.236599
  H      -4.673166     -7.791071      1.665036
  H      -3.146975     -3.461171      0.262818
  H      -4.742656     -4.152359      0.569779
  H      -1.997274     -5.210696      1.404598
  H      -3.147850     -5.999635      0.287010
  C      -1.353614      0.443378      0.918056
  C      -1.393491     -0.332298      2.013984
  C      -0.819329      0.137129      3.323965
  C      -1.974041     -1.725545      1.990422
  C      -3.522449     -1.868759      2.200132
  C      -4.302129     -1.214224      1.044836
  C      -3.936584     -1.148398      3.480324
  C      -6.946745     -5.808221      6.739862
  C      -8.024233     -5.322221      6.098727
  C      -9.005305     -4.413396      6.787769
  C      -8.307764     -5.655547      4.655851
  C      -7.385551     -4.928740      3.610260
  C      -7.967869     -5.199506      2.201863
  C      -7.478547     -3.411201      3.810040
  C      -3.026451     -6.056889      8.736854
  C      -2.619543     -6.478855      7.527949
  C      -3.401401     -7.500594      6.753599
  C      -1.359042     -5.952854      6.891892
  C      -1.538659     -4.802157      5.832562
  C      -0.125232     -4.410867      5.342023
  C      -2.094718     -3.585941      6.568228
  H      -0.939014      1.453392      0.948677
  H      -1.732844      0.090936     -0.043399
  H      -1.561860      0.085353      4.134845
  H      -0.444118      1.167431      3.258738
  H       0.014053     -0.517788      3.629723
  H      -1.512118     -2.332917      2.786007
  H      -1.723607     -2.203672      1.030935
  H      -4.118991     -0.131029      1.024664
  H      -5.380369     -1.382365      1.187025
  H      -4.020966     -1.614363      0.061730
  H      -5.020373     -1.251609      3.630452
  H      -3.413896     -1.558763      4.353942
  H      -3.706771     -0.076737      3.396249
  H      -6.248479     -6.481984      6.243837
  H      -6.740950     -5.550347      7.782098
  H     -10.001792     -4.883817      6.830616
  H      -9.134682     -3.470554      6.232322
  H      -8.691829     -4.176263      7.813720
  H      -8.197518     -6.738403      4.489790
  H      -9.355011     -5.406608      4.419772
  H      -7.991652     -6.267202      1.945931
  H      -7.363654     -4.676650      1.445653
  H      -9.000074     -4.823849      2.138469
  H      -8.478727     -3.059288      3.517590
  H      -7.327555     -3.112714      4.852738
  H      -6.730935     -2.904653      3.181739
  H      -3.941789     -6.439511      9.194173
  H      -2.453438     -5.322500      9.307347
  H      -3.748418     -7.059696      5.805174
  H      -2.764960     -8.360816      6.487682
  H      -4.268415     -7.865599      7.320378
  H      -0.694654     -5.557734      7.676304
  H      -0.816808     -6.787098      6.416410
  H       0.420653     -5.260659      4.911263
  H       0.473457     -4.021413      6.178380
  H      -0.201158     -3.625042      4.575041
  H      -3.008834     -3.844683      7.118676
  H      -1.364457     -3.232503      7.310259
  H      -2.284039     -2.768342      5.857347
  N      -4.997573     -3.202842      5.565603
  H      -4.285920     -2.918860      6.240369
  H      -5.668591     -3.796627      6.069725
  H      -5.495628     -2.350430      5.294661
87
Coordinates from ORCA-job orca E -5422.579216100233
  N      -3.821299     -3.322134      2.311988
  C      -3.729829     -4.019637      1.010993
  C      -3.061441     -5.368825      1.191087
  N      -3.657505     -6.050315      2.368612
  C      -4.910473     -6.774136      2.032106
  C      -5.794604     -6.779117      3.274775
  N      -5.995403     -5.398460      3.715020
  Mo     -4.158816     -4.506173      3.871933
  N      -2.413493     -5.205741      4.703076
  C      -1.716105     -6.188186      3.858044
  C      -2.696922     -6.971672      3.016673
  H      -1.145431     -6.921901      4.458011
  H      -0.968445     -5.700593      3.199540
  H      -3.277153     -7.643373      3.663597
  H      -2.173586     -7.589947      2.260389
  H      -6.736418     -7.305121      3.042550
  H      -5.315272     -7.383533      4.068563
  H      -5.422269     -6.221284      1.233065
  H      -4.673283     -7.790157      1.662212
  H      -3.140469     -3.461418      0.263156
  H      -4.737359     -4.150644      0.567460
  H      -1.994592     -5.213000      1.405653
  H      -3.145073     -6.000088      0.286600
  C      -1.354973      0.445197      0.915336
  C      -1.393609     -0.329917      2.011676
  C      -0.820077      0.141083      3.321370
  C      -1.972565     -1.723903      1.989106
  C      -3.520588     -1.868460      2.199043
  C      -4.301369     -1.215372      1.043640
  C      -3.935387     -1.147856      3.478932
  C      -6.940845     -5.812553      6.737342
  C      -8.019527     -5.324814      6.099601
  C      -8.998327     -4.416457      6.792477
  C      -8.306474     -5.655792      4.656925
  C      -7.386321     -4.927675      3.610270
  C      -7.971222     -5.197126      2.202760
  C      -7.479185     -3.410422      3.811925
  C      -3.030096     -6.056392      8.738136
  C      -2.622153     -6.479350      7.529926
  C      -3.402850     -7.501986      6.755688
  C      -1.361526     -5.953669      6.894018
  C      -1.541061     -4.803186      5.834329
  C      -0.127472     -4.412051      5.343989
  C      -2.096951     -3.586626      6.569553
  H      -0.941492      1.455683      0.945321
  H      -1.734040      0.091782     -0.045817
  H      -1.563489      0.091550      4.131608
  H      -0.443803      1.170884      3.254536
  H       0.012251     -0.514216      3.629114
  H      -1.509998     -2.329961      2.785309
  H      -1.721158     -2.202537      1.030147
  H      -4.119877     -0.131930      1.022960
  H      -5.379286     -1.385151      1.186317
  H      -4.019905     -1.615616      0.060651
  H      -5.019263     -1.251530      3.628150
  H      -3.413475     -1.558203      4.353006
  H      -3.705590     -0.076207      3.394971
  H      -6.244404     -6.486141      6.238532
  H      -6.732132     -5.556436      7.779417
  H      -9.994812     -4.886675      6.837579
  H      -9.129084     -3.472832      6.238712
  H      -8.681761     -4.180895      7.817837
  H      -8.196740     -6.738397      4.488855
  H      -9.354185     -5.406342      4.423471
  H      -7.995413     -6.264560      1.945820
  H      -7.368445     -4.673478      1.445958
  H      -9.003542     -4.821442      2.141733
  H      -8.480115     -3.058213      3.522386
  H      -7.325751     -3.113153      4.854595
  H      -6.733307     -2.902960      3.182323
  H      -3.945874     -6.438552      9.194939
  H      -2.457458     -5.321671      9.308573
  H      -3.741167     -7.064512      5.802617
  H      -2.767789     -8.366083      6.498951
  H      -4.274902     -7.860912      7.318565
  H      -0.697075     -5.558666      7.678410
  H      -0.819545     -6.788031      6.418434
  H       0.418618     -5.261975      4.913770
  H       0.470858     -4.022157      6.180364
  H      -0.203494     -3.626627      4.576591
  H      -3.011702     -3.844399      7.119449
  H      -1.366867     -3.233513      7.311883
  H      -2.285235     -2.769146      5.858259
  N      -4.999758     -3.201090      5.563420
  H      -4.287557     -2.918299      6.238060
  H      -5.671615     -3.793975      6.067428
  H      -5.496888     -2.348106      5.292486
87
Coordinates from ORCA-job orca E -5422.579217445101
  N      -3.816584     -3.322206      2.313544
  C      -3.724807     -4.017940      1.011527
  C      -3.059768     -5.368893      1.190163
  N      -3.657556     -6.050255      2.367104
  C      -4.910794     -6.772992      2.029501
  C      -5.794938     -6.778740      3.271772
  N      -5.995052     -5.397968      3.712585
  Mo     -4.157888     -4.506892      3.871782
  N      -2.415042     -5.208832      4.704506
  C      -1.717817     -6.191015      3.858767
  C      -2.698175     -6.972690      3.015395
  H      -1.148404     -6.926000      4.458431
  H      -0.968907     -5.703352      3.201826
  H      -3.279434     -7.645466      3.660298
  H      -2.173730     -7.589982      2.258972
  H      -6.737131     -7.303611      3.038828
  H      -5.316583     -7.384211      4.065373
  H      -5.421655     -6.218804      1.230738
  H      -4.673901     -7.788762      1.658709
  H      -3.133712     -3.459432      0.265259
  H      -4.732129     -4.145659      0.566620
  H      -1.992565     -5.215884      1.404916
  H      -3.145117     -5.998908      0.285019
  C      -1.361000      0.450248      0.913529
  C      -1.395480     -0.325030      2.009801
  C      -0.820088      0.146955      3.318351
  C      -1.971809     -1.720273      1.988804
  C      -3.518899     -1.867490      2.200842
  C      -4.303168     -1.215890      1.046832
  C      -3.933635     -1.147786      3.481320
  C      -6.939249     -5.801796      6.738859
  C      -8.019112     -5.318457      6.099931
  C      -8.999288     -4.409506      6.790047
  C      -8.305590     -5.655068      4.658530
  C      -7.386883     -4.928990      3.609083
  C      -7.972166     -5.203925      2.202895
  C      -7.482704     -3.411321      3.805328
  C      -3.026806     -6.060283      8.741011
  C      -2.619881     -6.483838      7.532685
  C      -3.400606     -7.506829      6.759023
  C      -1.360465     -5.958210      6.894662
  C      -1.542096     -4.807106      5.835747
  C      -0.129022     -4.414781      5.344529
  C      -2.097858     -3.591262      6.572167
  H      -0.949183      1.461434      0.942667
  H      -1.741699      0.096300     -0.046769
  H      -1.562887      0.098984      4.129255
  H      -0.443174      1.176396      3.249731
  H       0.011888     -0.508701      3.626227
  H      -1.507107     -2.324493      2.785165
  H      -1.719790     -2.199347      1.030259
  H      -4.124442     -0.132026      1.025902
  H      -5.380361     -1.388328      1.191810
  H      -4.022849     -1.615597      0.063278
  H      -5.017506     -1.252507      3.630144
  H      -3.412228     -1.558786      4.355375
  H      -3.703940     -0.076097      3.398358
  H      -6.241991     -6.476032      6.242179
  H      -6.730352     -5.541437      7.779820
  H      -9.994707     -4.881718      6.837786
  H      -9.132708     -3.468182      6.233025
  H      -8.682206     -4.169640      7.814247
  H      -8.193855     -6.738058      4.494176
  H      -9.353810     -5.408530      4.424319
  H      -7.995705     -6.272232      1.949619
  H      -7.370098     -4.682433      1.444060
  H      -9.004768     -4.829191      2.141182
  H      -8.484227     -3.061794      3.514573
  H      -7.330276     -3.110195      4.846864
  H      -6.738055     -2.904537      3.173746
  H      -3.942356     -6.441859      9.198716
  H      -2.453361     -5.325660      9.310765
  H      -3.724576     -7.073762      5.799123
  H      -2.769166     -8.377741      6.516315
  H      -4.280637     -7.855219      7.315955
  H      -0.694188     -5.564077      7.677884
  H      -0.819921     -6.792265      6.416863
  H       0.417591     -5.264183      4.913977
  H       0.469246     -4.024550      6.180754
  H      -0.206361     -3.629360      4.577249
  H      -3.012549     -3.848793      7.122346
  H      -1.367308     -3.238496      7.314151
  H      -2.286595     -2.773545      5.861240
  N      -4.999110     -3.200920      5.564795
  H      -4.284691     -2.918886      6.237383
  H      -5.669089     -3.794342      6.070582
  H      -5.497484     -2.347938      5.296127
87
Coordinates from ORCA-job orca E -5422.579223888035
  N      -3.816003     -3.322154      2.311394
  C      -3.723507     -4.018584      1.009719
  C      -3.059187     -5.369780      1.189577
  N      -3.657686     -6.050168      2.366657
  C      -4.911181     -6.772261      2.029367
  C      -5.795100     -6.777885      3.271790
  N      -5.994590     -5.396867      3.712539
  Mo     -4.157486     -4.505503      3.870336
  N      -2.415390     -5.207959      4.703422
  C      -1.718318     -6.191271      3.858927
  C      -2.699134     -6.972700      3.015736
  H      -1.149926     -6.926521      4.459226
  H      -0.968648     -5.704701      3.202061
  H      -3.280686     -7.644643      3.661244
  H      -2.174867     -7.591054      2.260036
  H      -6.737464     -7.302130      3.038578
  H      -5.317207     -7.383556      4.065477
  H      -5.422443     -6.217840      1.231012
  H      -4.674783     -7.788003      1.658106
  H      -3.131629     -3.460546      0.263799
  H      -4.730491     -4.146216      0.564001
  H      -1.991987     -5.217156      1.404617
  H      -3.144528     -6.000346      0.284822
  C      -1.357087      0.448709      0.912453
  C      -1.393311     -0.325664      2.009277
  C      -0.819126      0.146855      3.318176
  C      -1.970085     -1.720742      1.988866
  C      -3.517597     -1.867565      2.198415
  C      -4.299864     -1.216188      1.042832
  C      -3.934210     -1.147154      3.477779
  C      -6.938526     -5.815059      6.737438
  C      -8.018242     -5.328375      6.100775
  C      -8.998176     -4.422474      6.795173
  C      -8.305144     -5.658045      4.657766
  C      -7.386729     -4.927453      3.611426
  C      -7.972909     -5.195371      2.204067
  C      -7.481951     -3.410577      3.814338
  C      -3.030127     -6.053335      8.741265
  C      -2.623494     -6.478903      7.533576
  C      -3.405602     -7.501405      6.760422
  C      -1.363170     -5.955752      6.895238
  C      -1.542892     -4.805747      5.834812
  C      -0.128978     -4.415800      5.344152
  C      -2.097889     -3.588536      6.569379
  H      -0.944864      1.459751      0.941283
  H      -1.736726      0.094243     -0.048082
  H      -1.562174      0.097282      4.128746
  H      -0.443788      1.176936      3.250299
  H       0.013805     -0.507547      3.626171
  H      -1.506793     -2.324280      2.786600
  H      -1.716775     -2.201062      1.031266
  H      -4.120287     -0.132455      1.021560
  H      -5.377450     -1.387461      1.186375
  H      -4.018695     -1.616649      0.059845
  H      -5.018245     -1.251701      3.625684
  H      -3.413731     -1.557228      4.352852
  H      -3.704479     -0.075509      3.394221
  H      -6.241355     -6.487130      6.237710
  H      -6.729948     -5.559737      7.779721
  H      -9.993991     -4.894133      6.839948
  H      -9.130586     -3.478205      6.242867
  H      -8.681527     -4.187966      7.820753
  H      -8.194102     -6.740361      4.488535
  H      -9.353398     -5.410010      4.425275
  H      -7.998021     -6.262381      1.945691
  H      -7.370540     -4.671064      1.447417
  H      -9.005094     -4.819107      2.144487
  H      -8.483333     -3.059400      3.525117
  H      -7.329250     -3.113984      4.857169
  H      -6.737149     -2.901380      3.184846
  H      -3.946278     -6.433056      9.199323
  H      -2.455820     -5.318779      9.310254
  H      -3.728967     -7.067980      5.800430
  H      -2.775252     -8.373144      6.517915
  H      -4.286100     -7.848574      7.317378
  H      -0.696639     -5.561282      7.678080
  H      -0.823384     -6.791060      6.418773
  H       0.416984     -5.266525      4.915365
  H       0.469023     -4.025304      6.180496
  H      -0.204201     -3.631252      4.575807
  H      -3.013000     -3.844749      7.119422
  H      -1.367474     -3.235332      7.311309
  H      -2.285751     -2.771450      5.857437
  N      -4.999070     -3.198503      5.562210
  H      -4.285922     -2.916225      6.236090
  H      -5.669625     -3.791890      6.067381
  H      -5.496763     -2.345406      5.292745
87
Coordinates from ORCA-job orca E -5422.579226609038
  N      -3.817940     -3.322242      2.310955
  C      -3.724395     -4.018374      1.009158
  C      -3.059168     -5.369189      1.189120
  N      -3.657307     -6.050277      2.365822
  C      -4.910596     -6.772488      2.028616
  C      -5.794394     -6.779551      3.271310
  N      -5.994079     -5.398888      3.713157
  Mo     -4.157757     -4.506044      3.869738
  N      -2.415179     -5.208199      4.701934
  C      -1.717708     -6.191408      3.857795
  C      -2.698609     -6.972736      3.014493
  H      -1.149591     -6.926875      4.458091
  H      -0.967900     -5.704830      3.201096
  H      -3.279694     -7.644741      3.660341
  H      -2.174465     -7.591162      2.258792
  H      -6.736688     -7.303486      3.037115
  H      -5.316689     -7.385862      4.064565
  H      -5.422893     -6.217658      1.231225
  H      -4.674055     -7.787734      1.656020
  H      -3.132276     -3.459767      0.263908
  H      -4.730976     -4.146698      0.562683
  H      -1.992092     -5.215921      1.404362
  H      -3.143867     -5.999698      0.284257
  C      -1.355307      0.447354      0.914763
  C      -1.393531     -0.326562      2.011850
  C      -0.821182      0.146156      3.321467
  C      -1.970778     -1.721399      1.991274
  C      -3.518696     -1.867787      2.198789
  C      -4.299016     -1.215562      1.042372
  C      -3.936208     -1.147429      3.477771
  C      -6.934162     -5.808186      6.738643
  C      -8.015851     -5.325674      6.102138
  C      -8.997241     -4.420633      6.795579
  C      -8.303519     -5.658552      4.659909
  C      -7.386188     -4.929313      3.612190
  C      -7.973541     -5.197630      2.205194
  C      -7.479977     -3.412209      3.814643
  C      -3.032892     -6.051341      8.739097
  C      -2.625491     -6.477688      7.531966
  C      -3.407547     -7.500084      6.758458
  C      -1.364365     -5.955362      6.894381
  C      -1.542833     -4.805659      5.833425
  C      -0.128439     -4.417116      5.343189
  C      -2.097163     -3.587863      6.567374
  H      -0.942902      1.458323      0.943817
  H      -1.733555      0.092683     -0.046256
  H      -1.564566      0.093945      4.131578
  H      -0.448161      1.177186      3.255061
  H       0.013168     -0.506541      3.629282
  H      -1.508694     -2.324890      2.789758
  H      -1.716757     -2.202283      1.034107
  H      -4.118332     -0.131978      1.021682
  H      -5.377007     -1.385600      1.184392
  H      -4.017099     -1.615915      0.059576
  H      -5.020231     -1.251826      3.625767
  H      -3.415587     -1.556909      4.353043
  H      -3.706705     -0.075707      3.393911
  H      -6.235404     -6.479105      6.239552
  H      -6.725464     -5.550113      7.780237
  H      -9.992195     -4.893997      6.841556
  H      -9.131567     -3.477573      6.241629
  H      -8.680715     -4.183594      7.820621
  H      -8.192133     -6.741157      4.492894
  H      -9.352073     -5.411425      4.427768
  H      -7.999637     -6.264772      1.947266
  H      -7.371288     -4.674118      1.447898
  H      -9.005528     -4.820720      2.146045
  H      -8.481285     -3.060396      3.526019
  H      -7.325908     -3.115166      4.857286
  H      -6.735213     -2.904013      3.184270
  H      -3.949509     -6.430484      9.196718
  H      -2.458786     -5.316672      9.308157
  H      -3.731841     -7.065778      5.799132
  H      -2.776943     -8.371237      6.514616
  H      -4.287641     -7.848176      7.315494
  H      -0.698298     -5.560531      7.677462
  H      -0.824322     -6.791071      6.418933
  H       0.417030     -5.268587      4.915239
  H       0.469507     -4.026775      6.179692
  H      -0.202138     -3.632830      4.574457
  H      -3.012075     -3.843881      7.117740
  H      -1.366600     -3.234453      7.309096
  H      -2.285006     -2.770909      5.855244
  N      -5.000796     -3.201274      5.561835
  H      -4.289343     -2.917592      6.236935
  H      -5.670598     -3.796251      6.066147
  H      -5.499642     -2.348944      5.292156
87
Coordinates from ORCA-job orca E -5422.579229621300
  N      -3.818078     -3.321994      2.311176
  C      -3.724491     -4.017882      1.009236
  C      -3.059773     -5.369006      1.189043
  N      -3.657739     -6.050090      2.365744
  C      -4.911310     -6.771760      2.029032
  C      -5.794430     -6.779446      3.272245
  N      -5.993655     -5.398899      3.714718
  Mo     -4.157279     -4.505786      3.869911
  N      -2.414745     -5.208732      4.701193
  C      -1.717776     -6.192425      3.857265
  C      -2.699274     -6.973018      3.013920
  H      -1.150367     -6.928417      4.457614
  H      -0.967539     -5.706420      3.200657
  H      -3.280311     -7.644966      3.659862
  H      -2.175575     -7.591619      2.258057
  H      -6.736976     -7.302787      3.037734
  H      -5.316832     -7.386319      4.065107
  H      -5.424358     -6.216289      1.232570
  H      -4.675266     -7.786741      1.655346
  H      -3.131730     -3.459279      0.264511
  H      -4.730915     -4.145642      0.562222
  H      -1.992556     -5.216266      1.403965
  H      -3.144992     -5.999397      0.284137
  C      -1.354316      0.446516      0.914308
  C      -1.393018     -0.326707      2.011869
  C      -0.821068      0.146698      3.321399
  C      -1.970463     -1.721458      1.992123
  C      -3.518480     -1.867561      2.199206
  C      -4.298335     -1.215038      1.042663
  C      -3.935854     -1.147095      3.478128
  C      -6.936836     -5.810390      6.739830
  C      -8.017955     -5.327906      6.102324
  C      -9.000862     -4.424212      6.795317
  C      -8.303855     -5.659677      4.659405
  C      -7.385878     -4.929401      3.613185
  C      -7.972081     -5.196743      2.205463
  C      -7.480182     -3.412390      3.816482
  C      -3.033807     -6.047469      8.738022
  C      -2.625710     -6.475657      7.531793
  C      -3.407509     -7.498715      6.758890
  C      -1.364039     -5.954648      6.894164
  C      -1.541848     -4.805641      5.832208
  C      -0.127234     -4.418414      5.341607
  C      -2.095397     -3.586890      6.565139
  H      -0.941849      1.457477      0.942877
  H      -1.732256      0.091339     -0.046647
  H      -1.564238      0.093243      4.131634
  H      -0.449498      1.178272      3.255220
  H       0.014301     -0.504830      3.628959
  H      -1.508698     -2.324441      2.791175
  H      -1.716302     -2.203162      1.035387
  H      -4.117160     -0.131528      1.022103
  H      -5.376456     -1.384485      1.184439
  H      -4.016499     -1.615414      0.059862
  H      -5.019807     -1.251264      3.626659
  H      -3.414878     -1.556254      4.353339
  H      -3.706329     -0.075370      3.393961
  H      -6.236921     -6.480364      6.241120
  H      -6.729987     -5.553232      7.782030
  H      -9.995750     -4.897927      6.838991
  H      -9.134525     -3.480517      6.242256
  H      -8.686216     -4.188242      7.821186
  H      -8.192180     -6.742164      4.491808
  H      -9.352263     -5.412632      4.426497
  H      -7.998312     -6.263713      1.946731
  H      -7.368999     -4.672879      1.449074
  H      -9.003916     -4.819528      2.145680
  H      -8.481068     -3.060560      3.526403
  H      -7.327829     -3.115903      4.859522
  H      -6.734474     -2.903756      3.187582
  H      -3.950956     -6.425505      9.195494
  H      -2.459737     -5.312374      9.306574
  H      -3.727609     -7.066019      5.797455
  H      -2.777941     -8.371864      6.519502
  H      -4.290065     -7.843487      7.314087
  H      -0.697937     -5.559321      7.676976
  H      -0.824207     -6.790997      6.419617
  H       0.417838     -5.270674      4.914733
  H       0.470836     -4.027536      6.177782
  H      -0.200183     -3.634873      4.572054
  H      -3.010076     -3.842194      7.116198
  H      -1.364435     -3.232921      7.306209
  H      -2.283428     -2.770520      5.852381
  N      -4.999055     -3.201523      5.562724
  H      -4.287828     -2.918480      6.238382
  H      -5.669168     -3.796647      6.066499
  H      -5.497333     -2.348731      5.293532
