87
Coordinates from ORCA-job orca E -5476.502896693513
  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
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  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
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  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
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  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  N      -5.279741     -2.460375      6.152178
  H      -4.872667     -1.526871      6.210745
  H      -6.085365     -2.664366      6.743725
87
Coordinates from ORCA-job orca E -5476.536483151351
  N      -3.920947     -3.402284      2.661639
  C      -3.915041     -3.991688      1.329173
  C      -3.133811     -5.288225      1.337078
  N      -3.594443     -6.097472      2.463955
  C      -4.821595     -6.848219      2.141156
  C      -5.695946     -6.935968      3.403591
  N      -5.920844     -5.611757      3.948943
  Mo     -4.023679     -4.770470      4.132474
  N      -2.068436     -5.188262      4.499551
  C      -1.478316     -6.242764      3.689672
  C      -2.546411     -7.011807      2.923910
  H      -0.934658     -6.982050      4.302382
  H      -0.736299     -5.829052      2.979425
  H      -3.012335     -7.739628      3.597640
  H      -2.099199     -7.565500      2.080885
  H      -6.624810     -7.469533      3.151227
  H      -5.179623     -7.569659      4.145334
  H      -5.375564     -6.299569      1.375859
  H      -4.581167     -7.847867      1.745718
  H      -3.451075     -3.339554      0.578661
  H      -4.950246     -4.176984      0.991020
  H      -2.080786     -5.039748      1.504952
  H      -3.227695     -5.835957      0.386263
  C      -1.728952      0.395779      1.075394
  C      -1.581726     -0.403164      2.133989
  C      -0.792003      0.034022      3.337350
  C      -2.132846     -1.804873      2.165886
  C      -3.654297     -1.953014      2.524246
  C      -4.554419     -1.313787      1.445880
  C      -3.916647     -1.158913      3.796775
  C      -7.383001     -5.791536      6.859476
  C      -8.313388     -5.334515      6.017984
  C      -9.396296     -4.393456      6.466277
  C      -8.344143     -5.752005      4.573559
  C      -7.249496     -5.071011      3.667397
  C      -7.700501     -5.280996      2.197731
  C      -7.281245     -3.550866      3.880350
  C      -3.260245     -5.461794      8.431680
  C      -2.827747     -6.005468      7.290028
  C      -3.743222     -6.775146      6.390558
  C      -1.411174     -5.867345      6.820421
  C      -1.229791     -4.840617      5.641624
  C       0.277774     -4.802949      5.297923
  C      -1.580144     -3.439180      6.155915
  H      -1.326087      1.403209      1.058980
  H      -2.255220      0.079629      0.181437
  H      -1.358481     -0.116944      4.260281
  H      -0.509873      1.087003      3.263105
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  H      -1.595141     -2.403303      2.911503
  H      -1.972519     -2.266147      1.184328
  H      -4.455132     -0.227972      1.484937
  H      -5.599249     -1.574294      1.636772
  H      -4.299122     -1.638490      0.434909
  H      -4.978250     -1.185805      4.032907
  H      -3.343978     -1.577445      4.618440
  H      -3.627523     -0.117403      3.636667
  H      -6.642368     -6.509828      6.529657
  H      -7.348275     -5.491144      7.902155
  H     -10.358647     -4.918744      6.468615
  H      -9.491157     -3.544398      5.782676
  H      -9.207734     -4.021225      7.476481
  H      -8.199393     -6.836948      4.502417
  H      -9.324919     -5.514443      4.149525
  H      -7.758284     -6.336041      1.918910
  H      -7.009002     -4.771148      1.521735
  H      -8.692623     -4.846424      2.053732
  H      -8.169807     -3.120952      3.410006
  H      -7.297495     -3.287345      4.935644
  H      -6.386248     -3.130272      3.420932
  H      -4.281599     -5.589610      8.777117
  H      -2.601563     -4.897824      9.082821
  H      -3.940142     -6.166210      5.473528
  H      -3.274698     -7.710328      6.066029
  H      -4.687334     -7.006873      6.886940
  H      -0.769393     -5.544922      7.646406
  H      -1.050366     -6.845665      6.475538
  H       0.695327     -5.796513      5.118878
  H       0.825701     -4.353435      6.129101
  H       0.441792     -4.190782      4.406367
  H      -2.655856     -3.348597      6.294179
  H      -1.076941     -3.243475      7.105558
  H      -1.252903     -2.694426      5.427076
  N      -4.747713     -3.408734      5.508371
  N      -5.188343     -2.583491      6.344413
  H      -4.757449     -1.658652      6.455513
  H      -5.991996     -2.809839      6.939895
87
Coordinates from ORCA-job orca E -5476.565019152847
  N      -3.931641     -3.395786      2.641763
  C      -3.923355     -4.007331      1.301617
  C      -3.139900     -5.300694      1.317719
  N      -3.603086     -6.113426      2.457050
  C      -4.839714     -6.876634      2.135721
  C      -5.698677     -6.955783      3.400570
  N      -5.917293     -5.613359      3.940271
  Mo     -4.039711     -4.757330      4.123383
  N      -2.086771     -5.184875      4.487781
  C      -1.485110     -6.251858      3.684491
  C      -2.545281     -7.033161      2.928850
  H      -0.939098     -6.981039      4.306776
  H      -0.741339     -5.839135      2.975516
  H      -3.013273     -7.758526      3.608211
  H      -2.099235     -7.593659      2.088883
  H      -6.631041     -7.489956      3.162340
  H      -5.178536     -7.586042      4.145886
  H      -5.396041     -6.331754      1.364463
  H      -4.594535     -7.878030      1.743556
  H      -3.457292     -3.364059      0.546222
  H      -4.959775     -4.193040      0.962127
  H      -2.083532     -5.051281      1.483452
  H      -3.232401     -5.858861      0.372075
  C      -1.697237      0.425862      1.087804
  C      -1.562449     -0.387219      2.147282
  C      -0.775712      0.030536      3.363419
  C      -2.128331     -1.788322      2.162394
  C      -3.657250     -1.928831      2.512632
  C      -4.560400     -1.277661      1.440447
  C      -3.923437     -1.146228      3.796855
  C      -7.381205     -5.791357      6.875412
  C      -8.316819     -5.342933      6.024211
  C      -9.414326     -4.412297      6.468472
  C      -8.339942     -5.761194      4.572888
  C      -7.261603     -5.069553      3.657621
  C      -7.707886     -5.289674      2.187556
  C      -7.311911     -3.546679      3.869238
  C      -3.267048     -5.440104      8.458774
  C      -2.836286     -5.990264      7.313338
  C      -3.759661     -6.774941      6.428860
  C      -1.420315     -5.844822      6.826957
  C      -1.240551     -4.822659      5.642556
  C       0.262898     -4.791555      5.282591
  C      -1.583127     -3.414484      6.152986
  H      -1.282147      1.435784      1.084241
  H      -2.223395      0.117184      0.181935
  H      -1.350606     -0.124794      4.288218
  H      -0.479630      1.085799      3.304274
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  H      -1.594609     -2.398608      2.907497
  H      -1.961744     -2.244359      1.175251
  H      -4.457068     -0.188001      1.492472
  H      -5.611007     -1.537670      1.633532
  H      -4.312182     -1.588301      0.418431
  H      -4.992982     -1.171659      4.032918
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  H      -3.630333     -0.100435      3.643681
  H      -6.625375     -6.504802      6.548839
  H      -7.357048     -5.486168      7.924464
  H     -10.378270     -4.946696      6.465052
  H      -9.518045     -3.558372      5.782090
  H      -9.236775     -4.035604      7.484790
  H      -8.185946     -6.849048      4.500363
  H      -9.326684     -5.533992      4.145954
  H      -7.756614     -6.350580      1.907555
  H      -7.020606     -4.772693      1.503149
  H      -8.708651     -4.863736      2.044617
  H      -8.214141     -3.131196      3.401545
  H      -7.326849     -3.281178      4.930063
  H      -6.427189     -3.097309      3.404981
  H      -4.293003     -5.572700      8.810292
  H      -2.601581     -4.864322      9.105093
  H      -3.959885     -6.175852      5.502811
  H      -3.293627     -7.714554      6.097775
  H      -4.707452     -7.002188      6.927461
  H      -0.769686     -5.513224      7.647352
  H      -1.056535     -6.828794      6.485091
  H       0.679079     -5.791786      5.104204
  H       0.820410     -4.337257      6.111011
  H       0.424163     -4.180756      4.382388
  H      -2.660476     -3.310476      6.305091
  H      -1.067819     -3.217640      7.101586
  H      -1.256939     -2.667442      5.415717
  N      -4.658773     -3.471417      5.460110
  N      -5.070857     -2.643197      6.318574
  H      -4.615027     -1.727147      6.437213
  H      -5.873343     -2.862631      6.925876
87
Coordinates from ORCA-job orca E -5476.585922506000
  N      -3.951069     -3.394139      2.626226
  C      -3.938879     -4.017773      1.283391
  C      -3.146056     -5.306044      1.305290
  N      -3.608766     -6.122628      2.450626
  C      -4.845652     -6.898179      2.128349
  C      -5.695894     -6.973438      3.393820
  N      -5.910141     -5.620221      3.929742
  Mo     -4.062465     -4.742538      4.116333
  N      -2.110729     -5.172864      4.484744
  C      -1.496528     -6.245616      3.688008
  C      -2.544871     -7.039579      2.934238
  H      -0.948382     -6.964164      4.320075
  H      -0.750971     -5.829459      2.984042
  H      -3.015740     -7.763681      3.614210
  H      -2.095988     -7.602768      2.098038
  H      -6.630451     -7.507567      3.165874
  H      -5.175834     -7.598892      4.143306
  H      -5.400450     -6.356903      1.352232
  H      -4.592558     -7.898705      1.738309
  H      -3.473093     -3.373801      0.527449
  H      -4.974579     -4.204991      0.942884
  H      -2.089868     -5.053151      1.472584
  H      -3.233140     -5.871189      0.363155
  C      -1.698010      0.432565      1.104594
  C      -1.567432     -0.388517      2.161185
  C      -0.781211      0.015806      3.382216
  C      -2.141153     -1.788558      2.164393
  C      -3.670136     -1.922620      2.511834
  C      -4.568571     -1.267542      1.441037
  C      -3.937515     -1.151010      3.804060
  C      -7.375143     -5.798183      6.871317
  C      -8.307984     -5.339465      6.019746
  C      -9.400269     -4.403936      6.467379
  C      -8.333059     -5.751393      4.563977
  C      -7.257615     -5.062426      3.648432
  C      -7.701601     -5.278097      2.179235
  C      -7.294307     -3.540939      3.871003
  C      -3.268684     -5.420657      8.482514
  C      -2.842442     -5.974352      7.335300
  C      -3.771729     -6.771486      6.467148
  C      -1.430550     -5.823353      6.831518
  C      -1.254359     -4.803557      5.647094
  C       0.243140     -4.778161      5.268327
  C      -1.582183     -3.394399      6.160856
  H      -1.277164      1.441885      1.109850
  H      -2.224997      0.128633      0.195374
  H      -1.357465     -0.143672      4.307911
  H      -0.477579      1.070938      3.334082
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  H      -1.608625     -2.406783      2.905508
  H      -1.973465     -2.239526      1.173874
  H      -4.462316     -0.176810      1.498438
  H      -5.621634     -1.525906      1.631701
  H      -4.320603     -1.572220      0.415349
  H      -5.009814     -1.173326      4.042748
  H      -3.366611     -1.571745      4.641284
  H      -3.640751     -0.104284      3.657217
  H      -6.622146     -6.514985      6.541827
  H      -7.351360     -5.495909      7.923216
  H     -10.371204     -4.929218      6.459080
  H      -9.499466     -3.543835      5.785069
  H      -9.223934     -4.032035      7.487239
  H      -8.188344     -6.841120      4.485526
  H      -9.320230     -5.516872      4.137823
  H      -7.757027     -6.338887      1.894217
  H      -7.012453     -4.763136      1.492635
  H      -8.701680     -4.846118      2.038671
  H      -8.197737     -3.117664      3.410353
  H      -7.301926     -3.282256      4.936872
  H      -6.411615     -3.081767      3.407095
  H      -4.294178     -5.558534      8.839263
  H      -2.599510     -4.836406      9.120587
  H      -3.978602     -6.184287      5.534365
  H      -3.306798     -7.712008      6.131902
  H      -4.718735     -6.996900      6.968883
  H      -0.770508     -5.486864      7.644020
  H      -1.068086     -6.809885      6.490714
  H       0.655666     -5.780573      5.085545
  H       0.812057     -4.324797      6.091513
  H       0.398479     -4.166976      4.365451
  H      -2.653777     -3.276658      6.331768
  H      -1.051481     -3.204925      7.104161
  H      -1.259403     -2.644874      5.421381
  N      -4.599306     -3.547149      5.389657
  N      -5.001507     -2.714043      6.264588
  H      -4.536115     -1.806872      6.387464
  H      -5.797813     -2.935854      6.874784
87
Coordinates from ORCA-job orca E -5476.594610888716
  N      -3.970591     -3.387625      2.605646
  C      -3.953154     -4.021506      1.265922
  C      -3.150680     -5.305026      1.293031
  N      -3.615844     -6.123600      2.437369
  C      -4.847499     -6.907786      2.109991
  C      -5.694046     -6.979207      3.374731
  N      -5.905620     -5.620794      3.904655
  Mo     -4.093218     -4.714139      4.106921
  N      -2.144505     -5.151663      4.487800
  C      -1.519821     -6.227220      3.698545
  C      -2.553307     -7.032657      2.939018
  H      -0.972231     -6.934784      4.342617
  H      -0.770238     -5.806747      3.002769
  H      -3.032097     -7.754350      3.616016
  H      -2.097160     -7.598283      2.108893
  H      -6.632908     -7.510435      3.158496
  H      -5.176462     -7.599022      4.129202
  H      -5.397916     -6.370449      1.328439
  H      -4.582479     -7.906126      1.722690
  H      -3.487330     -3.373797      0.512903
  H      -4.986661     -4.209394      0.922514
  H      -2.095674     -5.051394      1.464845
  H      -3.230717     -5.874575      0.352778
  C      -1.682488      0.425848      1.123213
  C      -1.556324     -0.408795      2.167821
  C      -0.759931     -0.031387      3.388990
  C      -2.148776     -1.801580      2.154790
  C      -3.674645     -1.920568      2.510831
  C      -4.570983     -1.251419      1.450208
  C      -3.929021     -1.171601      3.817476
  C      -7.358939     -5.825999      6.855766
  C      -8.292393     -5.357966      6.012121
  C      -9.381532     -4.426316      6.471432
  C      -8.321715     -5.757413      4.553040
  C      -7.257949     -5.057184      3.636878
  C      -7.700847     -5.270162      2.170835
  C      -7.290815     -3.541048      3.879822
  C      -3.263182     -5.388444      8.508364
  C      -2.849490     -5.948443      7.360633
  C      -3.787839     -6.760906      6.518391
  C      -1.445954     -5.792057      6.833838
  C      -1.278940     -4.774609      5.650960
  C       0.211543     -4.754595      5.248542
  C      -1.591898     -3.364833      6.164182
  H      -1.248565      1.428724      1.140707
  H      -2.216503      0.136967      0.214274
  H      -1.332069     -0.194522      4.316369
  H      -0.439910      1.019102      3.355183
  H       0.142404     -0.663269      3.460921
  H      -1.616736     -2.435598      2.882547
  H      -1.990939     -2.242489      1.158591
  H      -4.454601     -0.162043      1.514503
  H      -5.625287     -1.500098      1.644190
  H      -4.331218     -1.548426      0.420835
  H      -4.998258     -1.190377      4.071972
  H      -3.347082     -1.599797      4.643207
  H      -3.628115     -0.124852      3.683692
  H      -6.608436     -6.539454      6.516525
  H      -7.331909     -5.532638      7.909491
  H     -10.355010     -4.946209      6.456401
  H      -9.481264     -3.558069      5.800070
  H      -9.206015     -4.065755      7.495079
  H      -8.180373     -6.846179      4.462025
  H      -9.312455     -5.522637      4.134930
  H      -7.752776     -6.329627      1.881564
  H      -7.018296     -4.750123      1.482419
  H      -8.703830     -4.843251      2.035570
  H      -8.203724     -3.115463      3.441255
  H      -7.280642     -3.295955      4.949267
  H      -6.422287     -3.063990      3.407792
  H      -4.284507     -5.527835      8.874352
  H      -2.588375     -4.795585      9.131198
  H      -4.004468     -6.190543      5.577951
  H      -3.326050     -7.703264      6.183633
  H      -4.731781     -6.979391      7.027365
  H      -0.775450     -5.451596      7.636142
  H      -1.083491     -6.778703      6.494402
  H       0.620852     -5.756550      5.060932
  H       0.794214     -4.302531      6.062760
  H       0.356643     -4.143269      4.344780
  H      -2.654421     -3.236624      6.367479
  H      -1.038433     -3.178527      7.094544
  H      -1.282143     -2.615550      5.419383
  N      -4.567195     -3.584453      5.338011
  N      -4.967209     -2.743555      6.226971
  H      -4.490919     -1.850661      6.357662
  H      -5.762890     -2.969272      6.826973
87
Coordinates from ORCA-job orca E -5476.600400483082
  N      -3.978970     -3.382201      2.588090
  C      -3.955073     -4.022195      1.253976
  C      -3.144127     -5.300881      1.285247
  N      -3.615766     -6.120869      2.423506
  C      -4.840520     -6.908058      2.085512
  C      -5.692904     -6.978542      3.345120
  N      -5.904693     -5.619287      3.867632
  Mo     -4.116750     -4.690973      4.097758
  N      -2.173954     -5.138643      4.497763
  C      -1.540591     -6.211851      3.713667
  C      -2.560498     -7.022763      2.944170
  H      -0.995569     -6.913182      4.366252
  H      -0.786241     -5.786949      3.026414
  H      -3.049300     -7.742248      3.616025
  H      -2.093680     -7.590113      2.121212
  H      -6.634838     -7.505582      3.133393
  H      -5.180486     -7.595614      4.104464
  H      -5.385011     -6.372892      1.298952
  H      -4.563608     -7.903896      1.700542
  H      -3.491890     -3.369280      0.503622
  H      -4.986022     -4.214541      0.907393
  H      -2.090412     -5.047661      1.462624
  H      -3.217447     -5.870813      0.344447
  C      -1.661660      0.412333      1.120050
  C      -1.536645     -0.432090      2.154463
  C      -0.728084     -0.075231      3.372352
  C      -2.145548     -1.817384      2.132775
  C      -3.667142     -1.922147      2.504684
  C      -4.566289     -1.242125      1.454926
  C      -3.903650     -1.190021      3.822332
  C      -7.347131     -5.885730      6.838866
  C      -8.277131     -5.395350      6.007189
  C      -9.357490     -4.464404      6.485187
  C      -8.313469     -5.771181      4.543163
  C      -7.261906     -5.052400      3.628218
  C      -7.712670     -5.247967      2.164442
  C      -7.287175     -3.543957      3.902993
  C      -3.256815     -5.367461      8.529278
  C      -2.857044     -5.932088      7.380206
  C      -3.803775     -6.757110      6.560340
  C      -1.461148     -5.769043      6.835845
  C      -1.305988     -4.750141      5.656703
  C       0.180213     -4.726958      5.237997
  C      -1.614521     -3.340929      6.167749
  H      -1.216651      1.409080      1.144192
  H      -2.203729      0.135997      0.213431
  H      -1.295566     -0.237049      4.301927
  H      -0.392140      0.969740      3.345456
  H       0.163727     -0.721551      3.436192
  H      -1.611503     -2.464096      2.847134
  H      -2.001229     -2.250799      1.132052
  H      -4.437481     -0.154434      1.518176
  H      -5.620706     -1.477742      1.659534
  H      -4.339620     -1.539556      0.423475
  H      -4.966652     -1.212890      4.098524
  H      -3.301444     -1.619561      4.631446
  H      -3.607317     -0.141694      3.694647
  H      -6.604601     -6.598412      6.484572
  H      -7.314491     -5.610524      7.896197
  H     -10.335962     -4.972620      6.455298
  H      -9.448365     -3.581132      5.833789
  H      -9.181940     -4.128229      7.516264
  H      -8.177664     -6.857848      4.430348
  H      -9.308148     -5.531780      4.137779
  H      -7.761791     -6.302854      1.861999
  H      -7.039799     -4.715265      1.477571
  H      -8.719072     -4.825861      2.042705
  H      -8.216640     -3.113271      3.507523
  H      -7.239256     -3.320460      4.975562
  H      -6.440779     -3.050477      3.409013
  H      -4.273567     -5.505058      8.904981
  H      -2.576334     -4.769004      9.138484
  H      -4.028999     -6.201535      5.613329
  H      -3.346068     -7.703025      6.231267
  H      -4.744447     -6.965330      7.077704
  H      -0.784508     -5.427353      7.632183
  H      -1.094092     -6.752613      6.494866
  H       0.591939     -5.725811      5.045860
  H       0.770202     -4.274968      6.046421
  H       0.315127     -4.112685      4.335786
  H      -2.668264     -3.216213      6.410629
  H      -1.033927     -3.147957      7.079415
  H      -1.331300     -2.592569      5.413053
  N      -4.581632     -3.558281      5.345113
  N      -4.987832     -2.714247      6.237544
  H      -4.491095     -1.840065      6.392826
  H      -5.804761     -2.933569      6.806041
87
Coordinates from ORCA-job orca E -5476.609148823321
  N      -3.983864     -3.382954      2.573149
  C      -3.960199     -4.027596      1.244804
  C      -3.145900     -5.304413      1.272328
  N      -3.623632     -6.128103      2.401978
  C      -4.845670     -6.910575      2.058642
  C      -5.696748     -6.981052      3.318131
  N      -5.896047     -5.622591      3.834681
  Mo     -4.136728     -4.673494      4.089490
  N      -2.204266     -5.146795      4.503503
  C      -1.569883     -6.218508      3.719914
  C      -2.580785     -7.026957      2.939784
  H      -1.031081     -6.918486      4.378716
  H      -0.809602     -5.792263      3.040600
  H      -3.082109     -7.742472      3.606485
  H      -2.105528     -7.597836      2.123763
  H      -6.647623     -7.494760      3.114575
  H      -5.190313     -7.601101      4.078390
  H      -5.387345     -6.372371      1.272269
  H      -4.564397     -7.904008      1.671198
  H      -3.504559     -3.367075      0.496259
  H      -4.990559     -4.224173      0.900075
  H      -2.091776     -5.055978      1.450961
  H      -3.218636     -5.869736      0.328167
  C      -1.663014      0.418145      1.134295
  C      -1.540881     -0.428979      2.165172
  C      -0.744211     -0.073324      3.389763
  C      -2.144156     -1.816399      2.132685
  C      -3.665648     -1.926230      2.497890
  C      -4.560153     -1.247700      1.443982
  C      -3.912414     -1.205692      3.816593
  C      -7.328032     -5.900188      6.819059
  C      -8.255328     -5.393190      5.996610
  C      -9.317135     -4.445887      6.481548
  C      -8.303189     -5.769339      4.534407
  C      -7.256937     -5.052033      3.614060
  C      -7.702879     -5.252432      2.152535
  C      -7.276783     -3.548792      3.892814
  C      -3.231779     -5.354435      8.554296
  C      -2.848754     -5.932283      7.406712
  C      -3.802373     -6.776356      6.619117
  C      -1.464500     -5.764943      6.838181
  C      -1.328339     -4.749779      5.658274
  C       0.154922     -4.714580      5.224072
  C      -1.635820     -3.343959      6.169163
  H      -1.223327      1.416171      1.166071
  H      -2.196407      0.141039      0.223859
  H      -1.318329     -0.238027      4.314007
  H      -0.408950      0.971331      3.369235
  H       0.146485     -0.719331      3.462444
  H      -1.608826     -2.464558      2.844567
  H      -1.991284     -2.243643      1.131485
  H      -4.432270     -0.159701      1.502256
  H      -5.614979     -1.481074      1.644950
  H      -4.327619     -1.548479      0.415380
  H      -4.973324     -1.237177      4.093096
  H      -3.304513     -1.628842      4.623029
  H      -3.624365     -0.154029      3.694760
  H      -6.602550     -6.624543      6.455668
  H      -7.277865     -5.625987      7.875234
  H     -10.304728     -4.934592      6.449457
  H      -9.394465     -3.558071      5.835724
  H      -9.134572     -4.118190      7.513383
  H      -8.179177     -6.856234      4.418203
  H      -9.300078     -5.526338      4.136320
  H      -7.748843     -6.308415      1.856501
  H      -7.029848     -4.721884      1.465033
  H      -8.710356     -4.834251      2.025915
  H      -8.218402     -3.122041      3.522414
  H      -7.205237     -3.329025      4.962914
  H      -6.448474     -3.046518      3.378234
  H      -4.243064     -5.490753      8.943906
  H      -2.545827     -4.742739      9.142324
  H      -4.043872     -6.242381      5.667229
  H      -3.345943     -7.726469      6.300981
  H      -4.734316     -6.974940      7.153463
  H      -0.779955     -5.416998      7.625310
  H      -1.091288     -6.746203      6.499911
  H       0.576550     -5.707072      5.027974
  H       0.748910     -4.258812      6.027100
  H       0.276218     -4.095755      4.323970
  H      -2.680557     -3.225335      6.453319
  H      -1.028612     -3.146465      7.062223
  H      -1.379268     -2.593954      5.408365
  N      -4.571459     -3.537930      5.366437
  N      -4.967205     -2.690594      6.266243
  H      -4.444575     -1.835012      6.435655
  H      -5.790577     -2.908499      6.824206
87
Coordinates from ORCA-job orca E -5476.612655528924
  N      -3.983946     -3.373291      2.559929
  C      -3.948607     -4.022465      1.234868
  C      -3.132325     -5.297470      1.266592
  N      -3.624105     -6.125193      2.385192
  C      -4.841967     -6.904876      2.028424
  C      -5.700025     -6.978096      3.283199
  N      -5.892469     -5.620042      3.799324
  Mo     -4.160804     -4.649011      4.082546
  N      -2.241971     -5.148302      4.522151
  C      -1.598320     -6.216561      3.741690
  C      -2.595030     -7.022523      2.944939
  H      -1.068309     -6.916400      4.408029
  H      -0.828754     -5.787429      3.074731
  H      -3.110390     -7.735371      3.603996
  H      -2.104286     -7.596495      2.139805
  H      -6.655338     -7.482933      3.081192
  H      -5.198907     -7.601878      4.043871
  H      -5.378258     -6.365088      1.239688
  H      -4.555537     -7.896646      1.640080
  H      -3.492614     -3.357090      0.490926
  H      -4.975332     -4.224670      0.882333
  H      -2.079329     -5.051552      1.455380
  H      -3.196065     -5.857116      0.317984
  C      -1.644275      0.412852      1.106869
  C      -1.527518     -0.429008      2.143142
  C      -0.733669     -0.069112      3.367963
  C      -2.135945     -1.814713      2.116022
  C      -3.657063     -1.916854      2.480589
  C      -4.547523     -1.239501      1.421138
  C      -3.906566     -1.190449      3.793867
  C      -7.298565     -5.968279      6.792941
  C      -8.230291     -5.432419      5.993832
  C      -9.277203     -4.486218      6.511413
  C      -8.296101     -5.779145      4.525318
  C      -7.261186     -5.045366      3.606741
  C      -7.719240     -5.219337      2.146012
  C      -7.276142     -3.549010      3.912178
  C      -3.218347     -5.340971      8.589663
  C      -2.855474     -5.932647      7.442017
  C      -3.818140     -6.791938      6.681842
  C      -1.480652     -5.766809      6.851765
  C      -1.357572     -4.750180      5.674027
  C       0.121767     -4.714783      5.223016
  C      -1.653441     -3.345958      6.192461
  H      -1.201461      1.409788      1.134281
  H      -2.175918      0.131054      0.196646
  H      -1.312205     -0.223005      4.291530
  H      -0.391125      0.973088      3.341459
  H       0.152028     -0.721023      3.450564
  H      -1.601802     -2.462098      2.829942
  H      -1.983076     -2.246731      1.116535
  H      -4.413664     -0.151564      1.468861
  H      -5.604033     -1.463869      1.623824
  H      -4.315534     -1.550260      0.395423
  H      -4.965682     -1.225797      4.074791
  H      -3.292361     -1.601632      4.600911
  H      -3.624900     -0.137355      3.664458
  H      -6.585525     -6.692082      6.402813
  H      -7.230830     -5.719020      7.854338
  H     -10.270771     -4.962505      6.473689
  H      -9.350578     -3.580617      5.890147
  H      -9.083300     -4.187744      7.550089
  H      -8.178795     -6.864087      4.385634
  H      -9.297628     -5.527970      4.143081
  H      -7.767007     -6.269711      1.832244
  H      -7.052736     -4.675554      1.462856
  H      -8.728734     -4.800892      2.034144
  H      -8.231485     -3.121339      3.578260
  H      -7.173809     -3.348085      4.983219
  H      -6.468536     -3.031303      3.380148
  H      -4.222376     -5.475193      8.997786
  H      -2.523580     -4.719364      9.156845
  H      -4.072680     -6.280235      5.724420
  H      -3.363708     -7.748457      6.379457
  H      -4.742419     -6.980068      7.234029
  H      -0.786063     -5.419161      7.630715
  H      -1.108310     -6.747838      6.511754
  H       0.542400     -5.706110      5.018198
  H       0.724879     -4.263422      6.021818
  H       0.233632     -4.089921      4.325686
  H      -2.685734     -3.229539      6.518250
  H      -1.016613     -3.150750      7.065775
  H      -1.420871     -2.592417      5.427557
  N      -4.586786     -3.514382      5.370466
  N      -4.987514     -2.664009      6.265920
  H      -4.444815     -1.824463      6.456032
  H      -5.825936     -2.878003      6.803561
87
Coordinates from ORCA-job orca E -5476.616538293969
  N      -3.984515     -3.360546      2.530645
  C      -3.943226     -4.023839      1.212825
  C      -3.129484     -5.302969      1.255494
  N      -3.634863     -6.129761      2.367712
  C      -4.849569     -6.904494      2.003400
  C      -5.708154     -6.971299      3.254856
  N      -5.886459     -5.610489      3.759304
  Mo     -4.181398     -4.615297      4.060685
  N      -2.279243     -5.141363      4.527894
  C      -1.630577     -6.210781      3.753733
  C      -2.618349     -7.021772      2.952835
  H      -1.105059     -6.905697      4.428963
  H      -0.856438     -5.783578      3.091515
  H      -3.145313     -7.725540      3.612644
  H      -2.115786     -7.606435      2.161767
  H      -6.670569     -7.464879      3.059279
  H      -5.212384     -7.595142      4.018820
  H      -5.381861     -6.365149      1.211408
  H      -4.562163     -7.897087      1.618414
  H      -3.486646     -3.362061      0.466873
  H      -4.968474     -4.229420      0.857367
  H      -2.076485     -5.062581      1.451962
  H      -3.187280     -5.860821      0.304822
  C      -1.586521      0.407771      1.104171
  C      -1.488613     -0.442032      2.136365
  C      -0.696923     -0.100461      3.367805
  C      -2.116412     -1.820878      2.096712
  C      -3.639871     -1.907925      2.458619
  C      -4.520201     -1.213393      1.401382
  C      -3.887626     -1.192483      3.779237
  C      -7.262646     -6.021751      6.780157
  C      -8.199311     -5.464076      6.000230
  C      -9.236184     -4.520352      6.547235
  C      -8.282140     -5.787583      4.525594
  C      -7.264140     -5.036393      3.601330
  C      -7.734279     -5.197488      2.143696
  C      -7.282714     -3.543864      3.925444
  C      -3.190081     -5.314660      8.615499
  C      -2.848525     -5.920061      7.467493
  C      -3.818413     -6.802969      6.739745
  C      -1.485965     -5.744340      6.850436
  C      -1.389013     -4.727186      5.672144
  C       0.086926     -4.670265      5.206921
  C      -1.698879     -3.327597      6.191032
  H      -1.128940      1.399144      1.139719
  H      -2.115541      0.136820      0.189452
  H      -1.286034     -0.246332      4.287401
  H      -0.333293      0.936659      3.347721
  H       0.176137     -0.771057      3.455422
  H      -1.590098     -2.480580      2.805368
  H      -1.964936     -2.247286      1.094150
  H      -4.370309     -0.126965      1.450549
  H      -5.580832     -1.421942      1.604479
  H      -4.291991     -1.525707      0.374752
  H      -4.945656     -1.230923      4.065818
  H      -3.269241     -1.606817      4.581539
  H      -3.607381     -0.137440      3.657974
  H      -6.554629     -6.742139      6.368714
  H      -7.183667     -5.792127      7.846356
  H     -10.233861     -4.988439      6.502894
  H      -9.306863     -3.597374      5.947702
  H      -9.034651     -4.247573      7.593318
  H      -8.166445     -6.871455      4.366451
  H      -9.290251     -5.533970      4.160503
  H      -7.777766     -6.246078      1.821233
  H      -7.076680     -4.642676      1.459081
  H      -8.748039     -4.784474      2.044821
  H      -8.258244     -3.121987      3.632193
  H      -7.144624     -3.356602      4.997027
  H      -6.501336     -3.007787      3.365394
  H      -4.183138     -5.453719      9.049114
  H      -2.487431     -4.677126      9.156721
  H      -4.090588     -6.317372      5.776146
  H      -3.363491     -7.765381      6.456408
  H      -4.734113     -6.981584      7.311625
  H      -0.782485     -5.389188      7.618637
  H      -1.106108     -6.721999      6.509373
  H       0.522098     -5.653936      4.997298
  H       0.690226     -4.212269      6.001424
  H       0.182224     -4.040160      4.311021
  H      -2.721977     -3.232915      6.562626
  H      -1.032568     -3.117714      7.041011
  H      -1.508529     -2.570313      5.415305
  N      -4.623728     -3.515984      5.372834
  N      -5.087479     -2.702091      6.269877
  H      -4.557875     -1.868645      6.525620
  H      -5.945842     -2.959499      6.758314
87
Coordinates from ORCA-job orca E -5476.619664943912
  N      -3.968438     -3.353847      2.510309
  C      -3.933694     -4.029348      1.197422
  C      -3.134761     -5.322561      1.243779
  N      -3.648431     -6.151505      2.353596
  C      -4.866052     -6.917100      1.999367
  C      -5.711327     -6.970472      3.259357
  N      -5.866915     -5.601446      3.743316
  Mo     -4.171008     -4.598236      4.036887
  N      -2.291873     -5.165418      4.517369
  C      -1.647661     -6.234230      3.740270
  C      -2.640556     -7.044718      2.948094
  H      -1.121271     -6.929083      4.414035
  H      -0.876333     -5.809953      3.074361
  H      -3.171316     -7.738616      3.614307
  H      -2.137825     -7.641146      2.166646
  H      -6.681925     -7.451647      3.074327
  H      -5.216556     -7.592923      4.025053
  H      -5.403512     -6.378529      1.210181
  H      -4.589836     -7.914005      1.617726
  H      -3.478663     -3.375511      0.443446
  H      -4.961983     -4.232537      0.849158
  H      -2.079088     -5.094378      1.440397
  H      -3.198243     -5.873507      0.289663
  C      -1.593723      0.449988      1.157313
  C      -1.501343     -0.410916      2.180653
  C      -0.738538     -0.076135      3.431777
  C      -2.109839     -1.793766      2.113522
  C      -3.633125     -1.900572      2.451819
  C      -4.505739     -1.203139      1.389327
  C      -3.912481     -1.207168      3.779352
  C      -7.242786     -5.872423      6.809741
  C      -8.178050     -5.368338      5.998853
  C      -9.225363     -4.413345      6.489985
  C      -8.255354     -5.762289      4.547179
  C      -7.252507     -5.040893      3.592500
  C      -7.727683     -5.264987      2.146426
  C      -7.290342     -3.541608      3.848702
  C      -3.114030     -5.343619      8.634320
  C      -2.800342     -5.955756      7.481225
  C      -3.776486     -6.860070      6.785013
  C      -1.454570     -5.762743      6.828929
  C      -1.393041     -4.739637      5.650353
  C       0.076358     -4.658509      5.167055
  C      -1.727290     -3.346111      6.175740
  H      -1.152206      1.444717      1.213139
  H      -2.104063      0.184490      0.230235
  H      -1.342518     -0.237936      4.336182
  H      -0.387270      0.961723      3.429588
  H       0.138009     -0.736726      3.530904
  H      -1.585492     -2.456331      2.821241
  H      -1.940999     -2.203961      1.108043
  H      -4.362772     -0.117933      1.446594
  H      -5.565299     -1.419038      1.579218
  H      -4.265749     -1.507460      0.363922
  H      -4.972323     -1.271531      4.048500
  H      -3.299632     -1.620913      4.589059
  H      -3.655218     -0.146090      3.676265
  H      -6.517538     -6.596969      6.450118
  H      -7.181804     -5.587942      7.857585
  H     -10.219421     -4.887201      6.460903
  H      -9.296296     -3.525485      5.852842
  H      -9.034285     -4.093340      7.517799
  H      -8.127187     -6.844991      4.439473
  H      -9.266800     -5.541301      4.172002
  H      -7.763224     -6.323840      1.867421
  H      -7.075260     -4.733861      1.442279
  H      -8.744815     -4.866586      2.031765
  H      -8.276576     -3.160807      3.554923
  H      -7.139501     -3.305313      4.899592
  H      -6.531729     -3.014242      3.257169
  H      -4.089074     -5.492219      9.104100
  H      -2.401773     -4.693138      9.146918
  H      -4.070646     -6.396160      5.824135
  H      -3.316665     -7.825317      6.518628
  H      -4.681247     -7.035752      7.377280
  H      -0.738592     -5.400324      7.582427
  H      -1.067863     -6.735162      6.479768
  H       0.523373     -5.635452      4.947772
  H       0.681783     -4.195740      5.957453
  H       0.151782     -4.022464      4.272733
  H      -2.739931     -3.282862      6.579397
  H      -1.042240     -3.117191      7.003668
  H      -1.581492     -2.584746      5.394812
  N      -4.616049     -3.552767      5.388235
  N      -5.134559     -2.793824      6.302274
  H      -4.627357     -1.972335      6.631775
  H      -5.997738     -3.096914      6.750856
87
Coordinates from ORCA-job orca E -5444.778459588101
  N      -3.935718     -3.344786      2.489036
  C      -3.887946     -4.031449      1.182956
  C      -3.106292     -5.335913      1.244162
  N      -3.647925     -6.165157      2.343407
  C      -4.869621     -6.913828      1.977483
  C      -5.725343     -6.952791      3.232595
  N      -5.860432     -5.577897      3.708772
  Mo     -4.160306     -4.582977      4.010554
  N      -2.313424     -5.194067      4.530673
  C      -1.664687     -6.261174      3.756088
  C      -2.657326     -7.065580      2.956584
  H      -1.145415     -6.959012      4.432488
  H      -0.886234     -5.839353      3.095445
  H      -3.203039     -7.749172      3.622206
  H      -2.147124     -7.673632      2.188689
  H      -6.699865     -7.419799      3.041185
  H      -5.243418     -7.580689      4.001850
  H      -5.396853     -6.370463      1.184182
  H      -4.605772     -7.915784      1.599071
  H      -3.420507     -3.385973      0.427232
  H      -4.914843     -4.231713      0.826807
  H      -2.050886     -5.120534      1.457804
  H      -3.161781     -5.879130      0.284924
  C      -1.578753      0.461145      1.117262
  C      -1.501055     -0.377154      2.163571
  C      -0.775484     -0.004126      3.426250
  C      -2.089093     -1.769432      2.112893
  C      -3.614814     -1.890169      2.421416
  C      -4.469986     -1.221397      1.326379
  C      -3.943637     -1.183525      3.733665
  C      -7.189655     -5.905659      6.812883
  C      -8.130247     -5.371931      6.019625
  C      -9.162814     -4.417012      6.551503
  C      -8.236804     -5.736317      4.555824
  C      -7.249399     -5.008854      3.589269
  C      -7.752103     -5.206540      2.142294
  C      -7.279899     -3.506871      3.855851
  C      -3.101521     -5.369755      8.660071
  C      -2.798745     -5.987575      7.508587
  C      -3.767520     -6.911551      6.831168
  C      -1.463678     -5.781965      6.841344
  C      -1.420201     -4.756845      5.662463
  C       0.045643     -4.656099      5.179904
  C      -1.778508     -3.369781      6.193223
  H      -1.151992      1.463355      1.160059
  H      -2.062584      0.169436      0.182509
  H      -1.403645     -0.145164      4.320174
  H      -0.431048      1.036283      3.402719
  H       0.101756     -0.657401      3.564993
  H      -1.571747     -2.412830      2.843605
  H      -1.897427     -2.196272      1.116622
  H      -4.335440     -0.132674      1.362155
  H      -5.530427     -1.442824      1.501054
  H      -4.207208     -1.548479      0.311682
  H      -5.007654     -1.273312      3.972783
  H      -3.349755     -1.574508      4.570753
  H      -3.712430     -0.116017      3.621698
  H      -6.472526     -6.633074      6.435678
  H      -7.122062     -5.646073      7.872313
  H     -10.162499     -4.881228      6.512449
  H      -9.227673     -3.501226      5.942076
  H      -8.960058     -4.134597      7.594719
  H      -8.115737     -6.822117      4.425789
  H      -9.253136     -5.500872      4.203333
  H      -7.801724     -6.261053      1.843443
  H      -7.106106     -4.668245      1.435101
  H      -8.766707     -4.797170      2.051223
  H      -8.276334     -3.125387      3.599217
  H      -7.092081     -3.271408      4.904520
  H      -6.545630     -2.980323      3.235709
  H      -4.063845     -5.524999      9.150765
  H      -2.389319     -4.708108      9.154719
  H      -4.072180     -6.469608      5.868028
  H      -3.297997     -7.878905      6.591496
  H      -4.664589     -7.084361      7.434509
  H      -0.744668     -5.412946      7.587522
  H      -1.070813     -6.750191      6.488576
  H       0.500682     -5.628448      4.956805
  H       0.645348     -4.190044      5.972442
  H       0.114254     -4.016881      4.287899
  H      -2.782211     -3.336590      6.614388
  H      -1.083772     -3.120653      7.004073
  H      -1.669502     -2.608479      5.410607
  N      -4.623318     -3.561519      5.375498
  N      -5.188679     -2.845684      6.292183
  H      -4.691761     -2.047181      6.693826
  H      -6.064524     -3.173926      6.698496
87
Coordinates from ORCA-job orca E -5476.621444701437
  N      -3.905727     -3.323197      2.472181
  C      -3.841273     -4.025568      1.161445
  C      -3.076876     -5.338456      1.248801
  N      -3.644829     -6.170553      2.339467
  C      -4.867170     -6.907951      1.960272
  C      -5.738616     -6.932573      3.209473
  N      -5.861979     -5.549728      3.673083
  Mo     -4.141492     -4.567422      3.984017
  N      -2.334723     -5.216546      4.547334
  C      -1.675030     -6.280939      3.778970
  C      -2.667504     -7.077742      2.967824
  H      -1.165641     -6.984556      4.458178
  H      -0.884473     -5.862731      3.126578
  H      -3.226066     -7.753296      3.631680
  H      -2.146719     -7.695608      2.213779
  H      -6.709056     -7.395293      3.006273
  H      -5.265454     -7.560560      3.983758
  H      -5.387550     -6.365306      1.161365
  H      -4.612822     -7.916731      1.587568
  H      -3.359346     -3.390533      0.401766
  H      -4.867512     -4.225115      0.802094
  H      -2.022665     -5.131915      1.478438
  H      -3.124381     -5.872841      0.284260
  C      -1.552281      0.474478      1.049146
  C      -1.486597     -0.340046      2.118150
  C      -0.780001      0.069456      3.382339
  C      -2.067869     -1.738265      2.091477
  C      -3.594008     -1.858812      2.383224
  C      -4.438537     -1.228978      1.261217
  C      -3.965667     -1.137169      3.682145
  C      -7.109776     -5.921386      6.820171
  C      -8.069359     -5.368783      6.046410
  C      -9.091751     -4.422058      6.630804
  C      -8.215220     -5.704223      4.566964
  C      -7.252021     -4.972114      3.576874
  C      -7.801185     -5.135571      2.127963
  C      -7.267203     -3.459536      3.844896
  C      -3.104877     -5.423866      8.691296
  C      -2.800367     -6.043079      7.544747
  C      -3.737820     -7.003587      6.882734
  C      -1.479253     -5.803705      6.866998
  C      -1.458312     -4.773637      5.686692
  C       0.003622     -4.647684      5.215673
  C      -1.850941     -3.396852      6.230177
  H      -1.129012      1.482181      1.072004
  H      -2.022319      0.159601      0.112416
  H      -1.425465     -0.045227      4.272148
  H      -0.435039      1.111725      3.331688
  H       0.095804     -0.580740      3.547948
  H      -1.558879     -2.365405      2.842010
  H      -1.868521     -2.186893      1.102464
  H      -4.310019     -0.136873      1.273758
  H      -5.500345     -1.458237      1.429092
  H      -4.158492     -1.583498      0.256207
  H      -5.035129     -1.255936      3.892835
  H      -3.397336     -1.506374      4.546317
  H      -3.758595     -0.064052      3.556345
  H      -6.389220     -6.646241      6.427836
  H      -7.036018     -5.681391      7.894725
  H     -10.091922     -4.889260      6.595891
  H      -9.167278     -3.476312      6.046331
  H      -8.866318     -4.173736      7.689604
  H      -8.092511     -6.796845      4.416226
  H      -9.239308     -5.459930      4.244214
  H      -7.875838     -6.183883      1.800712
  H      -7.164809     -4.588506      1.412593
  H      -8.810845     -4.708719      2.073125
  H      -8.268428     -3.071806      3.624447
  H      -7.037532     -3.212155      4.890858
  H      -6.556539     -2.947915      3.191646
  H      -4.049194     -5.598217      9.205397
  H      -2.406042     -4.739081      9.166542
  H      -4.057719     -6.589701      5.919427
  H      -3.235515     -7.962156      6.679881
  H      -4.623343     -7.190745      7.495731
  H      -0.765765     -5.418871      7.607672
  H      -1.067542     -6.762140      6.510634
  H       0.466180     -5.615797      4.988685
  H       0.591306     -4.179329      6.015721
  H       0.069876     -4.004630      4.327281
  H      -2.847615     -3.405085      6.650954
  H      -1.158837     -3.125255      7.030220
  H      -1.776788     -2.635417      5.453681
  N      -4.662306     -3.595646      5.370749
  N      -5.288591     -2.959290      6.298007
  H      -4.841748     -2.178002      6.767332
  H      -6.171911     -3.327622      6.657793
87
Coordinates from ORCA-job orca E -5476.624949228534
  N      -3.927807     -3.329243      2.499541
  C      -3.869417     -4.020571      1.180863
  C      -3.091864     -5.324421      1.254247
  N      -3.639479     -6.165658      2.346075
  C      -4.855900     -6.919803      1.975665
  C      -5.720556     -6.958041      3.230866
  N      -5.867158     -5.575549      3.689531
  Mo     -4.142541     -4.588283      4.004507
  N      -2.325816     -5.227835      4.551249
  C      -1.658196     -6.272603      3.762173
  C      -2.647586     -7.070208      2.952645
  H      -1.130805     -6.978040      4.424822
  H      -0.882148     -5.832554      3.108307
  H      -3.193787     -7.757448      3.613888
  H      -2.132387     -7.674223      2.183874
  H      -6.685659     -7.434885      3.026577
  H      -5.238659     -7.577992      4.005875
  H      -5.388279     -6.381821      1.182333
  H      -4.588806     -7.923660      1.598263
  H      -3.392874     -3.379735      0.425627
  H      -4.897038     -4.219295      0.827380
  H      -2.038407     -5.109713      1.477321
  H      -3.141606     -5.856961      0.288702
  C      -1.601528      0.507119      1.121008
  C      -1.523445     -0.331996      2.163967
  C      -0.804716      0.047077      3.430172
  C      -2.104791     -1.729011      2.108614
  C      -3.627713     -1.858666      2.421242
  C      -4.498952     -1.209213      1.333258
  C      -3.968095     -1.162985      3.737819
  C      -7.095465     -5.647414      6.828509
  C      -8.073951     -5.214510      6.014914
  C      -9.123384     -4.249587      6.495046
  C      -8.209389     -5.696033      4.589218
  C      -7.257992     -5.025653      3.552405
  C      -7.804601     -5.309547      2.129374
  C      -7.296533     -3.505030      3.699229
  C      -3.054469     -5.483465      8.689827
  C      -2.762250     -6.085899      7.528135
  C      -3.721082     -7.030222      6.860787
  C      -1.440023     -5.848687      6.839786
  C      -1.432403     -4.795276      5.681296
  C       0.022074     -4.662165      5.175455
  C      -1.801492     -3.429229      6.266321
  H      -1.179208      1.513940      1.167918
  H      -2.079146      0.216419      0.183375
  H      -1.442347     -0.089609      4.318445
  H      -0.459953      1.090656      3.404317
  H       0.073892     -0.605494      3.574139
  H      -1.582225     -2.370665      2.835569
  H      -1.921496     -2.155201      1.109739
  H      -4.368417     -0.120332      1.367339
  H      -5.560311     -1.439712      1.517873
  H      -4.241917     -1.540254      0.317710
  H      -5.034325     -1.291643      3.975831
  H      -3.373921     -1.541627      4.574877
  H      -3.765263     -0.089817      3.626207
  H      -6.351467     -6.379288      6.511822
  H      -7.024803     -5.294090      7.861058
  H     -10.109469     -4.739252      6.517436
  H      -9.226743     -3.386745      5.819670
  H      -8.904829     -3.884270      7.506737
  H      -8.057821     -6.784511      4.543372
  H      -9.240412     -5.512762      4.247111
  H      -7.866471     -6.376595      1.885031
  H      -7.175957     -4.811867      1.378004
  H      -8.821359     -4.902554      2.042752
  H      -8.312170     -3.159070      3.453820
  H      -7.066877     -3.169611      4.714040
  H      -6.591627     -3.026089      3.007006
  H      -4.000051     -5.657959      9.207691
  H      -2.344872     -4.809826      9.172440
  H      -4.046422     -6.605282      5.895022
  H      -3.231513     -7.992752      6.641174
  H      -4.607449     -7.214344      7.479366
  H      -0.709817     -5.485157      7.578384
  H      -1.042514     -6.803856      6.456776
  H       0.479373     -5.626755      4.916536
  H       0.631850     -4.211620      5.971289
  H       0.067280     -4.000407      4.295953
  H      -2.792319     -3.440917      6.741027
  H      -1.062419     -3.172608      7.047626
  H      -1.764026     -2.651586      5.489593
  N      -4.649559     -3.607282      5.386086
  N      -5.260839     -2.965358      6.325135
  H      -4.783846     -2.199843      6.816260
  H      -6.133032     -3.339460      6.709581
87
Coordinates from ORCA-job orca E -5476.626567386299
  N      -3.906769     -3.340973      2.478422
  C      -3.849300     -4.040132      1.161398
  C      -3.083091     -5.348146      1.246123
  N      -3.639944     -6.179623      2.338614
  C      -4.864076     -6.922369      1.971025
  C      -5.727275     -6.945932      3.226183
  N      -5.862233     -5.560692      3.679088
  Mo     -4.132962     -4.589834      3.991820
  N      -2.330988     -5.258051      4.556552
  C      -1.664451     -6.298212      3.758738
  C      -2.655731     -7.091024      2.949492
  H      -1.131557     -7.004603      4.414944
  H      -0.896721     -5.852595      3.103270
  H      -3.208652     -7.772097      3.611232
  H      -2.146119     -7.700442      2.182190
  H      -6.699768     -7.414710      3.024924
  H      -5.250617     -7.566638      4.004253
  H      -5.391066     -6.380128      1.176446
  H      -4.606817     -7.927543      1.596675
  H      -3.364957     -3.408479      0.406449
  H      -4.879014     -4.227783      0.810657
  H      -2.028893     -5.142402      1.473852
  H      -3.131026     -5.884887      0.282883
  C      -1.605842      0.525090      1.143464
  C      -1.542723     -0.314221      2.187194
  C      -0.874240      0.071937      3.476706
  C      -2.097277     -1.718050      2.114844
  C      -3.621677     -1.864631      2.396470
  C      -4.481340     -1.231896      1.288568
  C      -3.993498     -1.172325      3.702368
  C      -7.130333     -5.659943      6.849818
  C      -8.081711     -5.199024      6.022853
  C      -9.119165     -4.219263      6.493449
  C      -8.208025     -5.670260      4.592744
  C      -7.249948     -5.003276      3.556711
  C      -7.800711     -5.289936      2.139946
  C      -7.274582     -3.482322      3.704184
  C      -3.007028     -5.503827      8.711307
  C      -2.731039     -6.103556      7.542655
  C      -3.701273     -7.052580      6.893693
  C      -1.419422     -5.860519      6.833313
  C      -1.432089     -4.806232      5.677430
  C       0.018693     -4.635189      5.166466
  C      -1.834253     -3.452672      6.258952
  H      -1.206020      1.536951      1.204712
  H      -2.049695      0.228980      0.192098
  H      -1.536940     -0.074717      4.341483
  H      -0.545674      1.117274      3.461998
  H       0.007834     -0.567250      3.653299
  H      -1.580015     -2.353649      2.851887
  H      -1.886757     -2.137457      1.121013
  H      -4.359267     -0.142019      1.312468
  H      -5.541685     -1.464765      1.458921
  H      -4.207563     -1.569743      0.281839
  H      -5.057515     -1.317500      3.925347
  H      -3.403081     -1.538968      4.549673
  H      -3.808934     -0.096641      3.590146
  H      -6.402146     -6.406766      6.538739
  H      -7.073852     -5.322824      7.888688
  H     -10.118118     -4.689999      6.480376
  H      -9.185030     -3.343986      5.829244
  H      -8.918494     -3.873960      7.517681
  H      -8.067304     -6.759673      4.541384
  H      -9.236042     -5.477352      4.248934
  H      -7.874836     -6.357550      1.902591
  H      -7.169797     -4.804542      1.383988
  H      -8.812650     -4.872105      2.054926
  H      -8.291105     -3.126218      3.476991
  H      -7.021968     -3.143103      4.712516
  H      -6.580076     -3.011872      2.995444
  H      -3.945826     -5.682324      9.241923
  H      -2.290748     -4.828401      9.185797
  H      -4.038983     -6.638920      5.925703
  H      -3.218733     -8.020103      6.677177
  H      -4.581534     -7.227679      7.525797
  H      -0.678133     -5.496307      7.561516
  H      -1.025264     -6.813551      6.441957
  H       0.500126     -5.585393      4.904642
  H       0.620205     -4.172557      5.958999
  H       0.046145     -3.970161      4.288893
  H      -2.811124     -3.495957      6.754283
  H      -1.091168     -3.168680      7.020092
  H      -1.840649     -2.676685      5.475238
  N      -4.609125     -3.588957      5.365142
  N      -5.224911     -2.947139      6.305300
  H      -4.729653     -2.211680      6.826703
  H      -6.086181     -3.340050      6.693936
87
Coordinates from ORCA-job orca E -5476.628058481284
  N      -3.903696     -3.339567      2.468769
  C      -3.841712     -4.037773      1.149359
  C      -3.075631     -5.345194      1.239097
  N      -3.632290     -6.179109      2.328836
  C      -4.855705     -6.924696      1.961498
  C      -5.718396     -6.946139      3.216339
  N      -5.859550     -5.559245      3.659382
  Mo     -4.132618     -4.589197      3.979314
  N      -2.350019     -5.278540      4.576945
  C      -1.666309     -6.296703      3.762927
  C      -2.646712     -7.090029      2.940239
  H      -1.121479     -7.003632      4.408434
  H      -0.906926     -5.827501      3.114777
  H      -3.201924     -7.776170      3.594882
  H      -2.132171     -7.693521      2.171485
  H      -6.689091     -7.420214      3.017596
  H      -5.238478     -7.559820      3.998070
  H      -5.383503     -6.383355      1.166400
  H      -4.596009     -7.929161      1.588327
  H      -3.350391     -3.406269      0.399510
  H      -4.872376     -4.218345      0.798748
  H      -2.023115     -5.137571      1.472287
  H      -3.115432     -5.881991      0.274980
  C      -1.612086      0.530742      1.121518
  C      -1.553502     -0.298130      2.174645
  C      -0.892345      0.104172      3.465001
  C      -2.103281     -1.707338      2.109603
  C      -3.628978     -1.857713      2.391649
  C      -4.487605     -1.231570      1.280195
  C      -4.009178     -1.173769      3.700164
  C      -7.084233     -5.589634      6.854041
  C      -8.044236     -5.142997      6.031089
  C      -9.071554     -4.148248      6.491791
  C      -8.189442     -5.644337      4.614584
  C      -7.244355     -5.003209      3.549199
  C      -7.819084     -5.317526      2.150272
  C      -7.252208     -3.480576      3.667142
  C      -2.999990     -5.575767      8.733045
  C      -2.725828     -6.154162      7.553488
  C      -3.691006     -7.106501      6.905890
  C      -1.422709     -5.889392      6.837901
  C      -1.455204     -4.816606      5.699674
  C      -0.008942     -4.609420      5.190347
  C      -1.886802     -3.481003      6.297152
  H      -1.214274      1.546295      1.174844
  H      -2.050200      0.221812      0.169648
  H      -1.563260     -0.026246      4.328837
  H      -0.557121      1.149341      3.439075
  H      -0.014880     -0.536929      3.656359
  H      -1.583144     -2.337605      2.849481
  H      -1.890955     -2.131875      1.116706
  H      -4.361057     -0.141382      1.296671
  H      -5.549268     -1.457115      1.452259
  H      -4.215238     -1.577083      0.275346
  H      -5.071258     -1.331515      3.924575
  H      -3.415503     -1.537022      4.547053
  H      -3.836244     -0.095399      3.592894
  H      -6.362066     -6.344431      6.546443
  H      -7.016461     -5.236685      7.885428
  H     -10.073066     -4.610925      6.490826
  H      -9.134493     -3.285742      5.814165
  H      -8.864065     -3.787137      7.506298
  H      -8.048654     -6.733456      4.585443
  H      -9.222802     -5.458402      4.282604
  H      -7.912609     -6.389110      1.941021
  H      -7.193676     -4.861007      1.372407
  H      -8.825904     -4.886792      2.070687
  H      -8.266520     -3.117719      3.458313
  H      -6.968170     -3.116546      4.657040
  H      -6.573439     -3.036954      2.930788
  H      -3.934486     -5.771413      9.264499
  H      -2.287738     -4.902180      9.214684
  H      -4.035969     -6.700665      5.940746
  H      -3.204702     -8.072489      6.690503
  H      -4.566996     -7.286094      7.541581
  H      -0.677580     -5.534115      7.565783
  H      -1.025661     -6.832399      6.425981
  H       0.490133     -5.545080      4.910141
  H       0.586511     -4.150339      5.988827
  H       0.004657     -3.929172      4.325165
  H      -2.845687     -3.556021      6.808530
  H      -1.141525     -3.178891      7.040019
  H      -1.934933     -2.702791      5.520975
  N      -4.613136     -3.586125      5.347132
  N      -5.250653     -2.968476      6.290315
  H      -4.757322     -2.274312      6.851742
  H      -6.096280     -3.407071      6.669425
87
Coordinates from ORCA-job orca E -5476.629200578945
  N      -3.898807     -3.333559      2.458501
  C      -3.832948     -4.031879      1.138416
  C      -3.067563     -5.336792      1.239891
  N      -3.623902     -6.161940      2.333770
  C      -4.848110     -6.909958      1.968059
  C      -5.711010     -6.927570      3.221014
  N      -5.865498     -5.539430      3.654091
  Mo     -4.132482     -4.576941      3.976402
  N      -2.360473     -5.280069      4.601866
  C      -1.666068     -6.283509      3.779170
  C      -2.638816     -7.074739      2.946005
  H      -1.114287     -6.991369      4.418968
  H      -0.910861     -5.798364      3.137817
  H      -3.197246     -7.763376      3.595185
  H      -2.123223     -7.674122      2.175225
  H      -6.677059     -7.411600      3.025454
  H      -5.226949     -7.531596      4.007648
  H      -5.374791     -6.370969      1.170684
  H      -4.585104     -7.914974      1.599032
  H      -3.331553     -3.403064      0.392565
  H      -4.863848     -4.204575      0.785464
  H      -2.016605     -5.124672      1.476002
  H      -3.100130     -5.882981      0.280687
  C      -1.613703      0.529450      1.074735
  C      -1.556208     -0.285625      2.138063
  C      -0.899323      0.136117      3.425223
  C      -2.104327     -1.698242      2.086587
  C      -3.631563     -1.847654      2.373218
  C      -4.490138     -1.232520      1.257777
  C      -4.010839     -1.158139      3.679046
  C      -7.107081     -5.625131      6.859682
  C      -8.057348     -5.158211      6.036115
  C      -9.080771     -4.159511      6.502741
  C      -8.193417     -5.642999      4.610856
  C      -7.248506     -4.989805      3.544791
  C      -7.829452     -5.308453      2.149714
  C      -7.258294     -3.464134      3.666916
  C      -2.987947     -5.634071      8.762133
  C      -2.719137     -6.193059      7.572160
  C      -3.685280     -7.142261      6.925554
  C      -1.425123     -5.916390      6.849365
  C      -1.463121     -4.825821      5.728106
  C      -0.019715     -4.622085      5.212770
  C      -1.885566     -3.496056      6.347310
  H      -1.218813      1.547614      1.116706
  H      -2.048947      0.205604      0.126093
  H      -1.573175      0.018499      4.288703
  H      -0.563991      1.181119      3.387090
  H      -0.022809     -0.500600      3.628126
  H      -1.582160     -2.321404      2.830409
  H      -1.892690     -2.131346      1.096531
  H      -4.358634     -0.142675      1.262690
  H      -5.553069     -1.449108      1.433996
  H      -4.220874     -1.589568      0.255934
  H      -5.071270     -1.318507      3.911664
  H      -3.411272     -1.514053      4.524245
  H      -3.841369     -0.079011      3.566640
  H      -6.389413     -6.380291      6.537100
  H      -7.043794     -5.293484      7.899923
  H     -10.085430     -4.614157      6.479498
  H      -9.124845     -3.283840      5.836422
  H      -8.884990     -3.814846      7.527126
  H      -8.045995     -6.733810      4.570529
  H      -9.227069     -5.457566      4.280585
  H      -7.930560     -6.383124      1.947132
  H      -7.205179     -4.859049      1.363259
  H      -8.834900     -4.871045      2.074940
  H      -8.270941     -3.094386      3.468294
  H      -6.965533     -3.098294      4.652742
  H      -6.584339     -3.021597      2.921677
  H      -3.919814     -5.841361      9.291759
  H      -2.277083     -4.965410      9.251672
  H      -4.038243     -6.739291      5.964381
  H      -3.200382     -8.106897      6.702353
  H      -4.555966     -7.326063      7.566343
  H      -0.671540     -5.577671      7.576276
  H      -1.038291     -6.852844      6.415826
  H       0.470445     -5.556083      4.911223
  H       0.587539     -4.180221      6.014250
  H      -0.009238     -3.929265      4.359671
  H      -2.832275     -3.573875      6.880498
  H      -1.122700     -3.194523      7.073980
  H      -1.953612     -2.715822      5.582022
  N      -4.606658     -3.539725      5.321841
  N      -5.237008     -2.916017      6.269151
  H      -4.713002     -2.273046      6.860799
  H      -6.067718     -3.384303      6.652963
87
Coordinates from ORCA-job orca E -5476.630261286888
  N      -3.890501     -3.334124      2.442809
  C      -3.817628     -4.033965      1.124673
  C      -3.057243     -5.341979      1.234198
  N      -3.619416     -6.164294      2.328026
  C      -4.843770     -6.912993      1.961936
  C      -5.708849     -6.925397      3.214070
  N      -5.864768     -5.533856      3.637486
  Mo     -4.130418     -4.573636      3.959773
  N      -2.376243     -5.290373      4.611063
  C      -1.669572     -6.281111      3.783260
  C      -2.635284     -7.076035      2.945160
  H      -1.111351     -6.987565      4.418933
  H      -0.918309     -5.784200      3.145283
  H      -3.194797     -7.766043      3.591779
  H      -2.113592     -7.674261      2.177594
  H      -6.672541     -7.412749      3.020464
  H      -5.224369     -7.524224      4.004201
  H      -5.368746     -6.376592      1.161958
  H      -4.581183     -7.920374      1.596837
  H      -3.307846     -3.407828      0.380730
  H      -4.847204     -4.204186      0.765602
  H      -2.007306     -5.128884      1.475703
  H      -3.083589     -5.890760      0.276289
  C      -1.612119      0.536576      1.071233
  C      -1.566550     -0.274644      2.138109
  C      -0.933729      0.154265      3.433837
  C      -2.105594     -1.689019      2.082797
  C      -3.633223     -1.847583      2.357452
  C      -4.486610     -1.238743      1.235660
  C      -4.027043     -1.161351      3.660784
  C      -7.047272     -5.571303      6.858610
  C      -8.010404     -5.110786      6.042351
  C      -9.017467     -4.094474      6.507445
  C      -8.174718     -5.619330      4.628782
  C      -7.248762     -4.986537      3.536691
  C      -7.857308     -5.320111      2.154320
  C      -7.256787     -3.459409      3.634489
  C      -2.985860     -5.678809      8.770238
  C      -2.717565     -6.229488      7.576928
  C      -3.675502     -7.186997      6.930274
  C      -1.430130     -5.934169      6.850983
  C      -1.487234     -4.831862      5.741190
  C      -0.049118     -4.595291      5.230476
  C      -1.938439     -3.519311      6.377888
  H      -1.225252      1.556303      1.115756
  H      -2.029603      0.207134      0.117661
  H      -1.622074      0.039564      4.284850
  H      -0.601269      1.199143      3.395635
  H      -0.058857     -0.478747      3.655611
  H      -1.586233     -2.309145      2.830752
  H      -1.884245     -2.119908      1.094777
  H      -4.354729     -0.149204      1.235629
  H      -5.550256     -1.453803      1.408331
  H      -4.213225     -1.601314      0.236734
  H      -5.086294     -1.334294      3.888569
  H      -3.428527     -1.510759      4.509706
  H      -3.869875     -0.080374      3.549195
  H      -6.339869     -6.336813      6.536981
  H      -6.964981     -5.224329      7.892672
  H     -10.026576     -4.536551      6.499679
  H      -9.058639     -3.225474      5.830926
  H      -8.806464     -3.740700      7.525888
  H      -8.025583     -6.710338      4.603772
  H      -9.213752     -5.437852      4.312711
  H      -7.974486     -6.396103      1.971230
  H      -7.241394     -4.891315      1.349950
  H      -8.858149     -4.871962      2.088130
  H      -8.277710     -3.091327      3.460108
  H      -6.933025     -3.077450      4.606801
  H      -6.604717     -3.030641      2.860253
  H      -3.911829     -5.899580      9.304076
  H      -2.280429     -5.004261      9.258908
  H      -4.033070     -6.789647      5.968482
  H      -3.182099     -8.148125      6.712187
  H      -4.543296     -7.378321      7.572598
  H      -0.675893     -5.596280      7.577003
  H      -1.037449     -6.862061      6.405032
  H       0.456859     -5.516170      4.915316
  H       0.549289     -4.155306      6.038774
  H      -0.050467     -3.889208      4.387455
  H      -2.875696     -3.629676      6.925264
  H      -1.171809     -3.203613      7.096071
  H      -2.039969     -2.732759      5.622096
  N      -4.616526     -3.547093      5.308848
  N      -5.254127     -2.947698      6.269829
  H      -4.706609     -2.362484      6.911510
  H      -6.056931     -3.461641      6.653720
87
Coordinates from ORCA-job orca E -5476.631141833516
  N      -3.888974     -3.326459      2.428843
  C      -3.815817     -4.026066      1.112781
  C      -3.057462     -5.335269      1.228797
  N      -3.616760     -6.150736      2.329521
  C      -4.840319     -6.905390      1.966110
  C      -5.706443     -6.915865      3.217096
  N      -5.869202     -5.521579      3.633615
  Mo     -4.134378     -4.559118      3.947914
  N      -2.394444     -5.282329      4.625888
  C      -1.670913     -6.252436      3.787097
  C      -2.626141     -7.056603      2.946172
  H      -1.098697     -6.955409      4.413120
  H      -0.930444     -5.736327      3.151331
  H      -3.179477     -7.753749      3.589837
  H      -2.097318     -7.647407      2.177953
  H      -6.667146     -7.409728      3.025209
  H      -5.220013     -7.509269      4.010136
  H      -5.365507     -6.372565      1.164199
  H      -4.575121     -7.914149      1.604242
  H      -3.299107     -3.403356      0.369969
  H      -4.844033     -4.193946      0.747959
  H      -2.008202     -5.116184      1.468995
  H      -3.080895     -5.892547      0.276178
  C      -1.592454      0.526243      1.026112
  C      -1.555881     -0.274598      2.100923
  C      -0.920876      0.162980      3.392460
  C      -2.104238     -1.686068      2.056204
  C      -3.631989     -1.840990      2.342525
  C      -4.491891     -1.227510      1.229927
  C      -4.010206     -1.152903      3.650191
  C      -7.029159     -5.553640      6.867520
  C      -7.990255     -5.087084      6.048552
  C      -8.978791     -4.049879      6.504638
  C      -8.167600     -5.609611      4.642033
  C      -7.254900     -4.985293      3.534643
  C      -7.874254     -5.340748      2.160997
  C      -7.270087     -3.456759      3.608330
  C      -2.977594     -5.757975      8.789195
  C      -2.709303     -6.285826      7.585545
  C      -3.654822     -7.251015      6.931416
  C      -1.432789     -5.953933      6.854542
  C      -1.518589     -4.828163      5.767511
  C      -0.088294     -4.536985      5.266852
  C      -2.012482     -3.548787      6.439472
  H      -1.197346      1.543992      1.061005
  H      -2.009623      0.188701      0.075900
  H      -1.614633      0.068797      4.242554
  H      -0.574100      1.204598      3.342055
  H      -0.053405     -0.478995      3.624525
  H      -1.582718     -2.305463      2.802690
  H      -1.891611     -2.121447      1.068138
  H      -4.345232     -0.139657      1.224268
  H      -5.557826     -1.428419      1.417361
  H      -4.236036     -1.598083      0.228418
  H      -5.067056     -1.327988      3.894550
  H      -3.399493     -1.498958      4.490853
  H      -3.855119     -0.071604      3.535950
  H      -6.335181     -6.332193      6.549762
  H      -6.937869     -5.199490      7.898623
  H      -9.996360     -4.472146      6.495677
  H      -8.999940     -3.183976      5.822556
  H      -8.763220     -3.694073      7.522133
  H      -8.012371     -6.699827      4.625967
  H      -9.209465     -5.434221      4.332658
  H      -8.000085     -6.419633      2.001260
  H      -7.260037     -4.932963      1.344867
  H      -8.871491     -4.886565      2.091902
  H      -8.295928     -3.095154      3.445582
  H      -6.929458     -3.059098      4.569124
  H      -6.633138     -3.038069      2.816069
  H      -3.894730     -6.006437      9.327409
  H      -2.281299     -5.077144      9.282383
  H      -4.020276     -6.851644      5.971867
  H      -3.147228     -8.203105      6.706066
  H      -4.518940     -7.462608      7.573294
  H      -0.678025     -5.618253      7.580915
  H      -1.028830     -6.865676      6.385409
  H       0.443514     -5.433708      4.925251
  H       0.495954     -4.105325      6.088780
  H      -0.109115     -3.804651      4.444458
  H      -2.941018     -3.709950      6.992846
  H      -1.250502     -3.227100      7.161673
  H      -2.150334     -2.741076      5.708375
  N      -4.630036     -3.538904      5.292981
  N      -5.260255     -2.955225      6.276140
  H      -4.686879     -2.430333      6.935581
  H      -6.031787     -3.515886      6.667419
87
Coordinates from ORCA-job orca E -5476.631796147210
  N      -3.872495     -3.323507      2.411379
  C      -3.797437     -4.029747      1.099287
  C      -3.046676     -5.341707      1.227922
  N      -3.614906     -6.143657      2.334471
  C      -4.840578     -6.893836      1.966551
  C      -5.712485     -6.898022      3.212006
  N      -5.870350     -5.502207      3.627027
  Mo     -4.138007     -4.540708      3.940306
  N      -2.409639     -5.276448      4.642062
  C      -1.679746     -6.240572      3.801675
  C      -2.629353     -7.048743      2.959327
  H      -1.103550     -6.941459      4.425946
  H      -0.942371     -5.719288      3.167083
  H      -3.185961     -7.745111      3.601546
  H      -2.095304     -7.640072      2.195076
  H      -6.675863     -7.387476      3.017647
  H      -5.232541     -7.493096      4.008217
  H      -5.358215     -6.359245      1.160475
  H      -4.578123     -7.903725      1.607684
  H      -3.274396     -3.413899      0.356075
  H      -4.823423     -4.195632      0.727455
  H      -1.997171     -5.124590      1.469585
  H      -3.069149     -5.908894      0.281428
  C      -1.594201      0.526921      0.982977
  C      -1.563772     -0.255387      2.072573
  C      -0.949109      0.208435      3.364447
  C      -2.097641     -1.670725      2.043153
  C      -3.624708     -1.837885      2.316988
  C      -4.480138     -1.239919      1.191203
  C      -4.019218     -1.140979      3.613493
  C      -7.021271     -5.577318      6.868363
  C      -7.975669     -5.087446      6.055636
  C      -8.943838     -4.036349      6.521698
  C      -8.163677     -5.597435      4.646533
  C      -7.256643     -4.967496      3.537648
  C      -7.876280     -5.323445      2.165163
  C      -7.270535     -3.439834      3.614279
  C      -2.966689     -5.823008      8.813072
  C      -2.706732     -6.331981      7.598692
  C      -3.649978     -7.297105      6.940553
  C      -1.439149     -5.978307      6.860340
  C      -1.538061     -4.834591      5.791677
  C      -0.111450     -4.521223      5.292141
  C      -2.041903     -3.574306      6.489821
  H      -1.207737      1.547479      1.004393
  H      -1.997759      0.169318      0.033566
  H      -1.651597      0.124646      4.208191
  H      -0.609137      1.250201      3.298957
  H      -0.081106     -0.423012      3.619461
  H      -1.577223     -2.276560      2.802545
  H      -1.871321     -2.114817      1.062138
  H      -4.335981     -0.151966      1.170659
  H      -5.544661     -1.440420      1.376500
  H      -4.219593     -1.622923      0.196343
  H      -5.073104     -1.324425      3.853610
  H      -3.407017     -1.469982      4.461935
  H      -3.877301     -0.059346      3.487596
  H      -6.342001     -6.364600      6.540490
  H      -6.921289     -5.234738      7.902106
  H      -9.969926     -4.437590      6.507750
  H      -8.946708     -3.164324      5.849095
  H      -8.721440     -3.694849      7.541568
  H      -8.011242     -6.686884      4.621063
  H      -9.206929     -5.417274      4.344189
  H      -8.007978     -6.402103      2.011296
  H      -7.258394     -4.923417      1.349309
  H      -8.870030     -4.863298      2.093048
  H      -8.296118     -3.078859      3.460668
  H      -6.919818     -3.046335      4.572507
  H      -6.642608     -3.020456      2.818480
  H      -3.876164     -6.088286      9.357034
  H      -2.271085     -5.143427      9.308831
  H      -4.020041     -6.893329      5.984848
  H      -3.137651     -8.245009      6.705542
  H      -4.511539     -7.519492      7.583187
  H      -0.680433     -5.648739      7.585800
  H      -1.032261     -6.879780      6.373973
  H       0.426330     -5.405438      4.927840
  H       0.473407     -4.102791      6.121390
  H      -0.143342     -3.770640      4.486720
  H      -2.966262     -3.759533      7.042052
  H      -1.283561     -3.262848      7.220156
  H      -2.188071     -2.749088      5.780878
  N      -4.638695     -3.515516      5.276936
  N      -5.257859     -2.934880      6.275349
  H      -4.642435     -2.494093      6.969695
  H      -6.015715     -3.523539      6.659469
87
Coordinates from ORCA-job orca E -5476.631986134886
  N      -3.845249     -3.317889      2.387354
  C      -3.773708     -4.032539      1.083573
  C      -3.038069     -5.351802      1.225912
  N      -3.615884     -6.131841      2.345378
  C      -4.842361     -6.880101      1.975641
  C      -5.719990     -6.875028      3.214811
  N      -5.873551     -5.475291      3.624054
  Mo     -4.144885     -4.510924      3.929290
  N      -2.431456     -5.260394      4.660943
  C      -1.691641     -6.213975      3.817134
  C      -2.633859     -7.033110      2.979600
  H      -1.103526     -6.908648      4.436171
  H      -0.964105     -5.683877      3.178650
  H      -3.189688     -7.729342      3.623026
  H      -2.091588     -7.624491      2.221253
  H      -6.684148     -7.361537      3.018622
  H      -5.246820     -7.468841      4.016294
  H      -5.352320     -6.347127      1.163446
  H      -4.582293     -7.892642      1.623572
  H      -3.242783     -3.428068      0.336920
  H      -4.796704     -4.195302      0.701416
  H      -1.986387     -5.140380      1.463724
  H      -3.067383     -5.934211      0.289594
  C      -1.568501      0.517982      0.930547
  C      -1.551433     -0.242353      2.036111
  C      -0.965501      0.250725      3.329209
  C      -2.074269     -1.658681      2.024232
  C      -3.601846     -1.835757      2.282634
  C      -4.451330     -1.246651      1.145235
  C      -4.007732     -1.123821      3.566007
  C      -6.996717     -5.597500      6.867056
  C      -7.955670     -5.095406      6.068848
  C      -8.910984     -4.040113      6.552247
  C      -8.157436     -5.597225      4.660965
  C      -7.268139     -4.950684      3.548536
  C      -7.891614     -5.307419      2.177568
  C      -7.305577     -3.423740      3.628087
  C      -2.951408     -5.927180      8.836244
  C      -2.698487     -6.401599      7.605774
  C      -3.631520     -7.368298      6.932100
  C      -1.443146     -6.005143      6.863494
  C      -1.569232     -4.837121      5.821293
  C      -0.151758     -4.477862      5.323726
  C      -2.096501     -3.611396      6.558878
  H      -1.189823      1.539450      0.937809
  H      -1.953993      0.139483     -0.017783
  H      -1.681088      0.179257      4.160300
  H      -0.632729      1.290986      3.246785
  H      -0.098670     -0.368045      3.615243
  H      -1.558627     -2.250188      2.799291
  H      -1.832834     -2.113352      1.052616
  H      -4.299581     -0.160485      1.106102
  H      -5.516061     -1.438152      1.333538
  H      -4.193716     -1.647689      0.157392
  H      -5.060689     -1.307574      3.801956
  H      -3.396971     -1.436960      4.421942
  H      -3.872349     -0.043945      3.425177
  H      -6.326110     -6.386742      6.525241
  H      -6.882524     -5.262615      7.900633
  H      -9.942166     -4.427251      6.539977
  H      -8.905307     -3.160271      5.892310
  H      -8.679374     -3.713914      7.573639
  H      -7.993263     -6.683078      4.626512
  H      -9.206178     -5.426281      4.370026
  H      -8.026446     -6.385950      2.029134
  H      -7.271920     -4.911678      1.361363
  H      -8.884106     -4.843422      2.104546
  H      -8.344610     -3.082349      3.497417
  H      -6.940389     -3.033998      4.582205
  H      -6.701672     -2.987458      2.818293
  H      -3.848029     -6.224632      9.385900
  H      -2.261652     -5.246571      9.339321
  H      -4.007639     -6.951045      5.983238
  H      -3.104878     -8.304069      6.678627
  H      -4.488779     -7.617267      7.571582
  H      -0.684457     -5.676462      7.589821
  H      -1.021942     -6.888028      6.355984
  H       0.401525     -5.338386      4.927994
  H       0.430315     -4.072137      6.162398
  H      -0.208257     -3.703613      4.542566
  H      -3.019312     -3.843626      7.105211
  H      -1.346378     -3.314196      7.308501
  H      -2.255014     -2.759030      5.883539
  N      -4.658362     -3.481791      5.253399
  N      -5.261186     -2.885034      6.263420
  H      -4.630865     -2.474664      6.946373
  H      -6.048492     -3.454616      6.633134
87
Coordinates from ORCA-job orca E -5476.632310197393
  N      -3.846707     -3.305384      2.390100
  C      -3.788141     -4.019578      1.088582
  C      -3.051311     -5.339424      1.226444
  N      -3.620051     -6.114081      2.354891
  C      -4.840664     -6.870955      1.986782
  C      -5.719121     -6.867570      3.223263
  N      -5.880042     -5.467867      3.630045
  Mo     -4.159925     -4.490538      3.935772
  N      -2.444827     -5.233515      4.674091
  C      -1.696105     -6.176897      3.825104
  C      -2.630773     -7.006877      2.988141
  H      -1.094833     -6.863861      4.439112
  H      -0.979620     -5.636075      3.183156
  H      -3.179610     -7.708799      3.631026
  H      -2.082731     -7.591931      2.228927
  H      -6.680255     -7.357750      3.025841
  H      -5.245349     -7.456835      4.027433
  H      -5.352394     -6.342708      1.172766
  H      -4.573309     -7.882359      1.637581
  H      -3.262094     -3.415581      0.338362
  H      -4.812370     -4.181349      0.710109
  H      -1.997518     -5.130127      1.452853
  H      -3.092600     -5.926820      0.293921
  C      -1.539686      0.484347      0.861458
  C      -1.504751     -0.265938      1.971699
  C      -0.866358      0.231485      3.240618
  C      -2.056344     -1.676080      1.985912
  C      -3.583598     -1.827541      2.287666
  C      -4.453173     -1.218061      1.176224
  C      -3.939617     -1.111692      3.586198
  C      -7.028634     -5.641595      6.859566
  C      -7.988652     -5.139448      6.068103
  C      -8.963756     -4.109087      6.570252
  C      -8.172845     -5.621096      4.650609
  C      -7.279478     -4.949610      3.554401
  C      -7.886179     -5.295884      2.174179
  C      -7.328760     -3.422488      3.652116
  C      -2.962207     -5.973715      8.846886
  C      -2.698837     -6.417723      7.608500
  C      -3.611115     -7.390085      6.916942
  C      -1.450037     -5.982917      6.875662
  C      -1.593341     -4.810209      5.840235
  C      -0.181004     -4.416460      5.351544
  C      -2.148557     -3.601254      6.578609
  H      -1.138171      1.500402      0.848590
  H      -1.962804      0.103784     -0.071167
  H      -1.558541      0.184561      4.095297
  H      -0.512471      1.266389      3.137555
  H      -0.004087     -0.402696      3.504979
  H      -1.529350     -2.270264      2.750814
  H      -1.849252     -2.145017      1.010739
  H      -4.276219     -0.135354      1.133108
  H      -5.518690     -1.387349      1.397201
  H      -4.234028     -1.625336      0.180282
  H      -4.992664     -1.275041      3.851847
  H      -3.312607     -1.437143      4.422590
  H      -3.784811     -0.034678      3.444931
  H      -6.344639     -6.414267      6.504834
  H      -6.922332     -5.321980      7.898675
  H      -9.990083     -4.511376      6.543571
  H      -8.965228     -3.212633      5.931953
  H      -8.744618     -3.802768      7.601713
  H      -7.998099     -6.705355      4.601395
  H      -9.221351     -5.459105      4.354762
  H      -8.017378     -6.373693      2.012751
  H      -7.257006     -4.889057      1.369633
  H      -8.879542     -4.832906      2.095153
  H      -8.367724     -3.090785      3.516396
  H      -6.976518     -3.041907      4.612254
  H      -6.722162     -2.968638      2.853894
  H      -3.853608     -6.298119      9.388310
  H      -2.286326     -5.290129      9.363339
  H      -3.991062     -6.961320      5.976135
  H      -3.065428     -8.309591      6.646849
  H      -4.464471     -7.667005      7.547754
  H      -0.703827     -5.641578      7.607723
  H      -1.003981     -6.852867      6.368187
  H       0.391802     -5.261870      4.954565
  H       0.388953     -4.001506      6.192735
  H      -0.252121     -3.641600      4.574750
  H      -3.078554     -3.853785      7.092687
  H      -1.428393     -3.309366      7.352015
  H      -2.293913     -2.740920      5.913233
  N      -4.679964     -3.455565      5.252099
  N      -5.271656     -2.859758      6.271855
  H      -4.611354     -2.512724      6.972952
  H      -6.020238     -3.452143      6.667225
87
Coordinates from ORCA-job orca E -5476.632721362729
  N      -3.840264     -3.311575      2.400499
  C      -3.786501     -4.023820      1.097743
  C      -3.048901     -5.342897      1.230571
  N      -3.615720     -6.119354      2.358818
  C      -4.835803     -6.878169      1.991077
  C      -5.716844     -6.874638      3.226613
  N      -5.878164     -5.475261      3.633521
  Mo     -4.158038     -4.500413      3.944582
  N      -2.440878     -5.242127      4.680737
  C      -1.690669     -6.182629      3.829789
  C      -2.624547     -7.012357      2.990521
  H      -1.086619     -6.868285      4.443122
  H      -0.975894     -5.638244      3.188130
  H      -3.172762     -7.715246      3.632724
  H      -2.076717     -7.596036      2.230170
  H      -6.678023     -7.363389      3.024882
  H      -5.245795     -7.464335      4.032034
  H      -5.348315     -6.351357      1.176484
  H      -4.567018     -7.889554      1.642613
  H      -3.264025     -3.418140      0.345788
  H      -4.812986     -4.184691      0.724878
  H      -1.993788     -5.136955      1.453913
  H      -3.095806     -5.928180      0.296769
  C      -1.572777      0.492882      0.856325
  C      -1.527406     -0.255070      1.967750
  C      -0.890228      0.250235      3.234136
  C      -2.065438     -1.669832      1.986851
  C      -3.589324     -1.831999      2.294736
  C      -4.468606     -1.231837      1.185677
  C      -3.945075     -1.117760      3.593388
  C      -7.003884     -5.607270      6.849133
  C      -7.972392     -5.109822      6.063106
  C      -8.940047     -4.073930      6.565902
  C      -8.171345     -5.599830      4.649560
  C      -7.273006     -4.949890      3.548814
  C      -7.878921     -5.303011      2.170328
  C      -7.304877     -3.423423      3.635739
  C      -2.968388     -6.003783      8.841906
  C      -2.699739     -6.436519      7.600750
  C      -3.610460     -7.400129      6.896594
  C      -1.447941     -5.999878      6.877203
  C      -1.592144     -4.822359      5.850026
  C      -0.179015     -4.426814      5.365474
  C      -2.150925     -3.617943      6.596706
  H      -1.181852      1.512244      0.841429
  H      -1.993861      0.108028     -0.075176
  H      -1.579010      0.197407      4.090776
  H      -0.547390      1.287797      3.128486
  H      -0.021133     -0.374569      3.497124
  H      -1.530801     -2.256562      2.751503
  H      -1.858202     -2.140057      1.013074
  H      -4.303223     -0.148484      1.141989
  H      -5.530331     -1.412181      1.409131
  H      -4.248571     -1.636545      0.189757
  H      -4.995744     -1.289389      3.861417
  H      -3.311697     -1.437878      4.428965
  H      -3.799049     -0.039653      3.449332
  H      -6.324566     -6.383422      6.495083
  H      -6.884114     -5.277581      7.884099
  H      -9.967292     -4.473769      6.550469
  H      -8.946971     -3.180728      5.922527
  H      -8.710267     -3.763245      7.594132
  H      -8.010523     -6.686791      4.607804
  H      -9.218261     -5.427454      4.355747
  H      -8.019046     -6.379798      2.015517
  H      -7.244996     -4.907407      1.365203
  H      -8.867727     -4.833762      2.084330
  H      -8.335129     -3.084228      3.484763
  H      -6.959405     -3.035305      4.594638
  H      -6.685711     -2.984315      2.846164
  H      -3.863313     -6.329841      9.375895
  H      -2.293852     -5.325509      9.367568
  H      -3.986660     -6.961330      5.959479
  H      -3.064955     -8.316997      6.617822
  H      -4.465798     -7.682224      7.522663
  H      -0.705076     -5.662041      7.614523
  H      -0.998968     -6.867173      6.367100
  H       0.394912     -5.271838      4.966377
  H       0.389500     -4.013982      6.208706
  H      -0.249164     -3.650306      4.589677
  H      -3.088919     -3.868448      7.098006
  H      -1.436626     -3.334604      7.379521
  H      -2.285572     -2.753602      5.934659
  N      -4.678064     -3.457633      5.257004
  N      -5.273885     -2.849443      6.263287
  H      -4.626620     -2.480567      6.969038
  H      -6.057847     -3.405164      6.642154
87
Coordinates from ORCA-job orca E -5476.632954318891
  N      -3.803294     -3.313268      2.392196
  C      -3.753806     -4.033573      1.096757
  C      -3.028896     -5.357944      1.233563
  N      -3.611183     -6.126794      2.359829
  C      -4.831607     -6.881129      1.986879
  C      -5.721782     -6.864208      3.216323
  N      -5.874161     -5.461271      3.612775
  Mo     -4.161457     -4.488306      3.939030
  N      -2.468286     -5.256470      4.706173
  C      -1.705360     -6.186335      3.855147
  C      -2.629589     -7.019908      3.008652
  H      -1.094535     -6.864255      4.471372
  H      -0.994188     -5.631173      3.217474
  H      -3.187793     -7.716418      3.649750
  H      -2.074743     -7.609874      2.258498
  H      -6.687233     -7.342202      3.006762
  H      -5.263812     -7.452850      4.029738
  H      -5.337339     -6.357169      1.165590
  H      -4.564772     -7.895361      1.646481
  H      -3.229115     -3.434404      0.340172
  H      -4.783191     -4.188232      0.727579
  H      -1.970815     -5.169329      1.459533
  H      -3.084248     -5.942689      0.299241
  C      -1.588086      0.507618      0.828861
  C      -1.546915     -0.224585      1.952445
  C      -0.946006      0.309834      3.223326
  C      -2.053278     -1.648865      1.984101
  C      -3.575591     -1.833312      2.273368
  C      -4.449531     -1.259901      1.144612
  C      -3.964217     -1.115844      3.558580
  C      -6.914274     -5.568692      6.832097
  C      -7.910520     -5.078786      6.074408
  C      -8.868652     -4.047351      6.603164
  C      -8.150071     -5.570181      4.665440
  C      -7.271284     -4.933299      3.544655
  C      -7.892149     -5.299015      2.177910
  C      -7.305265     -3.407376      3.623636
  C      -2.969920     -6.099173      8.850342
  C      -2.703098     -6.496869      7.596744
  C      -3.608643     -7.449195      6.871670
  C      -1.458829     -6.035688      6.880727
  C      -1.625534     -4.841440      5.882024
  C      -0.219694     -4.423849      5.395085
  C      -2.197382     -3.661088      6.662631
  H      -1.220950      1.533673      0.807529
  H      -1.981192      0.104184     -0.106092
  H      -1.649563      0.256523      4.066853
  H      -0.621555      1.349996      3.106764
  H      -0.071008     -0.294414      3.515357
  H      -1.517474     -2.213590      2.764234
  H      -1.822821     -2.128049      1.021992
  H      -4.299960     -0.175797      1.083883
  H      -5.507290     -1.451140      1.358116
  H      -4.212521     -1.677042      0.159508
  H      -5.012207     -1.306708      3.809222
  H      -3.336656     -1.417445      4.408776
  H      -3.841435     -0.035836      3.405685
  H      -6.238642     -6.340516      6.462361
  H      -6.763179     -5.232502      7.861708
  H      -9.894315     -4.448738      6.608203
  H      -8.895636     -3.148806      5.966683
  H      -8.616210     -3.744460      7.628349
  H      -8.002027     -6.660254      4.622454
  H      -9.202236     -5.388802      4.395479
  H      -8.032721     -6.377270      2.030706
  H      -7.268157     -4.906539      1.361990
  H      -8.884082     -4.832412      2.099916
  H      -8.344040     -3.075691      3.497713
  H      -6.939015     -3.006350      4.570453
  H      -6.708676     -2.968219      2.813849
  H      -3.860910     -6.442578      9.378910
  H      -2.298249     -5.428495      9.390411
  H      -3.985155     -6.995811      5.944401
  H      -3.059087     -8.358473      6.575637
  H      -4.462976     -7.746297      7.493449
  H      -0.718079     -5.703345      7.623771
  H      -0.999300     -6.888286      6.355079
  H       0.359505     -5.258714      4.977438
  H       0.352243     -4.017414      6.240804
  H      -0.304262     -3.638575      4.629185
  H      -3.139016     -3.928881      7.157624
  H      -1.482316     -3.387807      7.454069
  H      -2.336617     -2.787181      6.015688
  N      -4.674543     -3.424571      5.238272
  N      -5.286138     -2.809851      6.223831
  H      -4.659656     -2.404928      6.915738
  H      -6.053531     -3.356357      6.626507
87
Coordinates from ORCA-job orca E -5476.633457505521
  N      -3.796631     -3.307397      2.393032
  C      -3.759225     -4.026307      1.097714
  C      -3.034659     -5.350530      1.232205
  N      -3.608213     -6.112421      2.367855
  C      -4.824238     -6.878204      2.001322
  C      -5.716413     -6.861372      3.230049
  N      -5.881203     -5.457614      3.619796
  Mo     -4.171163     -4.477889      3.941429
  N      -2.481732     -5.239994      4.723517
  C      -1.703389     -6.150222      3.864137
  C      -2.616377     -6.995849      3.015710
  H      -1.076002     -6.818582      4.472675
  H      -1.006441     -5.577671      3.225434
  H      -3.165688     -7.699555      3.655949
  H      -2.054904     -7.577807      2.264510
  H      -6.676887     -7.348187      3.019199
  H      -5.255603     -7.441542      4.047515
  H      -5.333956     -6.362672      1.177521
  H      -4.550824     -7.893152      1.666983
  H      -3.237105     -3.429834      0.336746
  H      -4.790812     -4.179391      0.733363
  H      -1.974456     -5.162712      1.447434
  H      -3.100874     -5.940780      0.302292
  C      -1.580153      0.492096      0.779679
  C      -1.520661     -0.237681      1.902252
  C      -0.881169      0.294530      3.155642
  C      -2.040675     -1.657883      1.947983
  C      -3.561191     -1.828960      2.270661
  C      -4.453517     -1.242343      1.164932
  C      -3.911392     -1.108424      3.566164
  C      -6.884877     -5.564805      6.831973
  C      -7.894292     -5.083302      6.086303
  C      -8.848171     -4.052723      6.621118
  C      -8.149875     -5.578890      4.681798
  C      -7.282564     -4.941816      3.551269
  C      -7.908748     -5.318735      2.190065
  C      -7.331986     -3.415205      3.621811
  C      -2.997744     -6.195450      8.844158
  C      -2.706592     -6.545898      7.583011
  C      -3.580961     -7.493116      6.815624
  C      -1.467173     -6.034009      6.895797
  C      -1.657753     -4.829040      5.912682
  C      -0.261407     -4.360470      5.449299
  C      -2.273749     -3.682739      6.708113
  H      -1.201544      1.514962      0.748465
  H      -1.999728      0.091290     -0.144318
  H      -1.564960      0.250004      4.015399
  H      -0.548983      1.332379      3.029421
  H      -0.004003     -0.316717      3.426003
  H      -1.492787     -2.224681      2.717272
  H      -1.835086     -2.141927      0.983012
  H      -4.288535     -0.160445      1.101915
  H      -5.510436     -1.419180      1.404153
  H      -4.245841     -1.663081      0.174157
  H      -4.958734     -1.283558      3.838215
  H      -3.272456     -1.422444      4.400170
  H      -3.773577     -0.030534      3.414287
  H      -6.211140     -6.335022      6.457655
  H      -6.718171     -5.220987      7.855815
  H      -9.872255     -4.455131      6.641917
  H      -8.886145     -3.158485      5.981983
  H      -8.582878     -3.745294      7.639834
  H      -8.000133     -6.668548      4.640700
  H      -9.205104     -5.399716      4.422324
  H      -8.046905     -6.398508      2.050310
  H      -7.289314     -4.929004      1.368523
  H      -8.903025     -4.855338      2.113373
  H      -8.376723     -3.094290      3.496816
  H      -6.968987     -3.005091      4.566710
  H      -6.739366     -2.971985      2.807487
  H      -3.886526     -6.576053      9.350067
  H      -2.349440     -5.526639      9.413218
  H      -3.956933     -7.014097      5.900221
  H      -3.006600     -8.377565      6.494234
  H      -4.434557     -7.831924      7.415704
  H      -0.748412     -5.691020      7.654310
  H      -0.974274     -6.864807      6.366240
  H       0.346422     -5.172003      5.028979
  H       0.287609     -3.946897      6.305088
  H      -0.361536     -3.569864      4.690690
  H      -3.227369     -3.979269      7.154342
  H      -1.594419     -3.424610      7.531779
  H      -2.401324     -2.791698      6.082446
  N      -4.690847     -3.397966      5.225523
  N      -5.289341     -2.759584      6.203522
  H      -4.663131     -2.368480      6.910839
  H      -6.112862     -3.255633      6.572322
87
Coordinates from ORCA-job orca E -5476.633683725319
  N      -3.792802     -3.300915      2.397173
  C      -3.767057     -4.023503      1.106873
  C      -3.044372     -5.350021      1.238688
  N      -3.613410     -6.106807      2.380425
  C      -4.826157     -6.878904      2.020001
  C      -5.718980     -6.856310      3.247814
  N      -5.885296     -5.448424      3.624728
  Mo     -4.183095     -4.460640      3.946310
  N      -2.502307     -5.227188      4.740979
  C      -1.712913     -6.122937      3.876236
  C      -2.616705     -6.980416      3.031457
  H      -1.073350     -6.783087      4.479429
  H      -1.027329     -5.539492      3.235467
  H      -3.159462     -7.687451      3.673055
  H      -2.048658     -7.559183      2.282905
  H      -6.677590     -7.345842      3.039141
  H      -5.259145     -7.429485      4.070440
  H      -5.337542     -6.370289      1.193105
  H      -4.550809     -7.895858      1.692905
  H      -3.250009     -3.431213      0.339314
  H      -4.799864     -4.179067      0.746302
  H      -1.982631     -5.163809      1.445993
  H      -3.118379     -5.942594      0.311202
  C      -1.579449      0.477110      0.730417
  C      -1.502838     -0.246051      1.856321
  C      -0.834233      0.291009      3.093047
  C      -2.031765     -1.663311      1.921025
  C      -3.548816     -1.826762      2.272215
  C      -4.455048     -1.230886      1.182634
  C      -3.868745     -1.099150      3.574461
  C      -6.912667     -5.604573      6.824769
  C      -7.909284     -5.096980      6.079889
  C      -8.853722     -4.063626      6.627448
  C      -8.166529     -5.571518      4.667596
  C      -7.287269     -4.933853      3.548027
  C      -7.900396     -5.305317      2.177758
  C      -7.333365     -3.407047      3.613999
  C      -2.975156     -6.271828      8.859137
  C      -2.682230     -6.587900      7.589127
  C      -3.535183     -7.542823      6.803027
  C      -1.460508     -6.024902      6.906373
  C      -1.683423     -4.814778      5.932620
  C      -0.300573     -4.307128      5.469128
  C      -2.324736     -3.694935      6.742272
  H      -1.193601      1.497984      0.685254
  H      -2.021387      0.072901     -0.182673
  H      -1.501757      0.257132      3.967268
  H      -0.497010      1.326710      2.953319
  H       0.044054     -0.324567      3.348835
  H      -1.472500     -2.228176      2.683852
  H      -1.845815     -2.154748      0.954257
  H      -4.276798     -0.150214      1.113379
  H      -5.511187     -1.394962      1.444350
  H      -4.272032     -1.658086      0.187954
  H      -4.915130     -1.262153      3.865049
  H      -3.220719     -1.419460      4.398906
  H      -3.720576     -0.022222      3.419649
  H      -6.250586     -6.381461      6.443878
  H      -6.745744     -5.277325      7.855210
  H      -9.885338     -4.453975      6.629925
  H      -8.873385     -3.153928      6.005530
  H      -8.593329     -3.780479      7.657938
  H      -8.034174     -6.663088      4.614358
  H      -9.216993     -5.374441      4.405443
  H      -8.045242     -6.382830      2.033972
  H      -7.269423     -4.919438      1.365443
  H      -8.888639     -4.835895      2.089557
  H      -8.369650     -3.086622      3.466739
  H      -6.990586     -2.994492      4.562795
  H      -6.725712     -2.966787      2.816846
  H      -3.849273     -6.688988      9.363569
  H      -2.341782     -5.596711      9.438020
  H      -3.926195     -7.051368      5.898140
  H      -2.938433     -8.404918      6.461739
  H      -4.377506     -7.916827      7.398167
  H      -0.753913     -5.665009      7.668570
  H      -0.940119     -6.835308      6.371587
  H       0.324215     -5.101162      5.041993
  H       0.241014     -3.886683      6.326486
  H      -0.421756     -3.514163      4.715552
  H      -3.281181     -4.017487      7.169265
  H      -1.658643     -3.445558      7.580565
  H      -2.456225     -2.791287      6.132061
  N      -4.708800     -3.380711      5.226394
  N      -5.300673     -2.734733      6.203856
  H      -4.672777     -2.340791      6.908311
  H      -6.122692     -3.222982      6.585305
87
Coordinates from ORCA-job orca E -5476.633877426918
  N      -3.785382     -3.297012      2.393801
  C      -3.767502     -4.021842      1.105652
  C      -3.045137     -5.348190      1.237829
  N      -3.611034     -6.100210      2.383610
  C      -4.822042     -6.877025      2.026080
  C      -5.716303     -6.850395      3.252105
  N      -5.888341     -5.440840      3.621033
  Mo     -4.191797     -4.448925      3.944150
  N      -2.520934     -5.220746      4.756112
  C      -1.719217     -6.105067      3.889970
  C      -2.611684     -6.967600      3.039220
  H      -1.074665     -6.761360      4.492288
  H      -1.037916     -5.512233      3.253636
  H      -3.152915     -7.679087      3.677327
  H      -2.036848     -7.541795      2.292374
  H      -6.673703     -7.344053      3.045521
  H      -5.256004     -7.417740      4.078580
  H      -5.333338     -6.373342      1.195973
  H      -4.544433     -7.894990      1.704720
  H      -3.252789     -3.432972      0.334276
  H      -4.801245     -4.177856      0.747973
  H      -1.982758     -5.161010      1.440913
  H      -3.121602     -5.944158      0.312897
  C      -1.580587      0.474488      0.703141
  C      -1.492267     -0.247405      1.829005
  C      -0.810536      0.289931      3.057972
  C      -2.022227     -1.663371      1.901250
  C      -3.537490     -1.824707      2.263809
  C      -4.449555     -1.225563      1.180939
  C      -3.841122     -1.091981      3.566586
  C      -6.868780     -5.588868      6.816879
  C      -7.883542     -5.095426      6.088488
  C      -8.832903     -4.071671      6.648708
  C      -8.156210     -5.574501      4.681732
  C      -7.291652     -4.934933      3.550042
  C      -7.913102     -5.320786      2.188351
  C      -7.347228     -3.407093      3.607731
  C      -2.996645     -6.335952      8.854870
  C      -2.691653     -6.621839      7.580267
  C      -3.528232     -7.570359      6.767989
  C      -1.473821     -6.029352      6.915769
  C      -1.711155     -4.810610      5.955652
  C      -0.335262     -4.276396      5.503615
  C      -2.373606     -3.714095      6.778428
  H      -1.195079      1.494656      0.652899
  H      -2.033086      0.069579     -0.204367
  H      -1.467157      0.254496      3.939459
  H      -0.477390      1.325578      2.915195
  H       0.071802     -0.323316      3.303474
  H      -1.457325     -2.226924      2.661154
  H      -1.842676     -2.156148      0.934330
  H      -4.269288     -0.145896      1.110510
  H      -5.504109     -1.385545      1.449117
  H      -4.274339     -1.652767      0.185674
  H      -4.886716     -1.243254      3.865347
  H      -3.189447     -1.418287      4.386306
  H      -3.683093     -0.016713      3.410116
  H      -6.201379     -6.357912      6.425015
  H      -6.688185     -5.256566      7.842172
  H      -9.858997     -4.473446      6.668854
  H      -8.873791     -3.165427      6.024145
  H      -8.561680     -3.780939      7.672789
  H      -8.021421     -6.665267      4.629521
  H      -9.210836     -5.380243      4.432074
  H      -8.048029     -6.401284      2.053925
  H      -7.293205     -4.934576      1.367046
  H      -8.907372     -4.861379      2.106364
  H      -8.387499     -3.089841      3.464797
  H      -7.001829     -2.987726      4.554225
  H      -6.744831     -2.966832      2.803263
  H      -3.869009     -6.775041      9.343881
  H      -2.375853     -5.665434      9.452867
  H      -3.917675     -7.062247      5.871845
  H      -2.920157     -8.417986      6.410189
  H      -4.371268     -7.966374      7.348455
  H      -0.780501     -5.665504      7.688169
  H      -0.934175     -6.823767      6.375787
  H       0.302724     -5.056869      5.071218
  H       0.196936     -3.856578      6.367268
  H      -0.465089     -3.477993      4.757520
  H      -3.338471     -4.046540      7.171778
  H      -1.729149     -3.487009      7.636844
  H      -2.491673     -2.794657      6.190687
  N      -4.715272     -3.354115      5.211263
  N      -5.296492     -2.694349      6.184758
  H      -4.662265     -2.303401      6.885008
  H      -6.112285     -3.181214      6.579642
87
Coordinates from ORCA-job orca E -5476.634008705533
  N      -3.787068     -3.289032      2.394693
  C      -3.773754     -4.015631      1.107542
  C      -3.046636     -5.339908      1.237744
  N      -3.609354     -6.096921      2.380855
  C      -4.817929     -6.877601      2.025081
  C      -5.712608     -6.849271      3.251190
  N      -5.889685     -5.438692      3.612859
  Mo     -4.200514     -4.438891      3.941560
  N      -2.541997     -5.219509      4.767072
  C      -1.726878     -6.091034      3.899276
  C      -2.607160     -6.957394      3.039920
  H      -1.079583     -6.745598      4.501014
  H      -1.047732     -5.487937      3.270333
  H      -3.146489     -7.675326      3.672423
  H      -2.023884     -7.525589      2.294853
  H      -6.668785     -7.347056      3.048040
  H      -5.250389     -7.411678      4.080066
  H      -5.330659     -6.377738      1.193356
  H      -4.538525     -7.896182      1.707058
  H      -3.264894     -3.426856      0.332018
  H      -4.808771     -4.176357      0.755568
  H      -1.984927     -5.147941      1.441519
  H      -3.118653     -5.932607      0.310153
  C      -1.575057      0.472270      0.692389
  C      -1.477336     -0.253614      1.815918
  C      -0.770815      0.273744      3.035259
  C      -2.017214     -1.666465      1.892369
  C      -3.531884     -1.819256      2.262331
  C      -4.444571     -1.217255      1.181409
  C      -3.826286     -1.085329      3.566247
  C      -6.848724     -5.578455      6.821059
  C      -7.867879     -5.092634      6.094966
  C      -8.816293     -4.066882      6.652085
  C      -8.149219     -5.579439      4.693277
  C      -7.295119     -4.941297      3.551409
  C      -7.925630     -5.338847      2.197228
  C      -7.361084     -3.412236      3.603237
  C      -2.996787     -6.378761      8.853346
  C      -2.686668     -6.644891      7.575558
  C      -3.509010     -7.595152      6.750538
  C      -1.478152     -6.025989      6.918448
  C      -1.735963     -4.803120      5.968426
  C      -0.368852     -4.247772      5.517702
  C      -2.415619     -3.725318      6.801768
  H      -1.180752      1.489620      0.637985
  H      -2.043672      0.072775     -0.209461
  H      -1.413442      0.241392      3.928651
  H      -0.430500      1.308112      2.890225
  H       0.110793     -0.349115      3.263143
  H      -1.451205     -2.234274      2.648496
  H      -1.844939     -2.159507      0.923888
  H      -4.263999     -0.137386      1.111770
  H      -5.498715     -1.375053      1.449930
  H      -4.270423     -1.643755      0.185573
  H      -4.873199     -1.221732      3.863891
  H      -3.180591     -1.425312      4.385599
  H      -3.653443     -0.012201      3.414131
  H      -6.183393     -6.349759      6.432160
  H      -6.664765     -5.239976      7.843268
  H      -9.840840     -4.471702      6.681807
  H      -8.864356     -3.168454      6.017891
  H      -8.540507     -3.764517      7.670847
  H      -8.015800     -6.670451      4.644117
  H      -9.205781     -5.384433      4.451273
  H      -8.043705     -6.422849      2.066451
  H      -7.321131     -4.944625      1.366781
  H      -8.928845     -4.895287      2.126642
  H      -8.405778     -3.096171      3.465805
  H      -7.013477     -2.987592      4.548631
  H      -6.763910     -2.972170      2.789714
  H      -3.862677     -6.837181      9.335909
  H      -2.386902     -5.706965      9.460881
  H      -3.904910     -7.080339      5.862530
  H      -2.890025     -8.430686      6.382951
  H      -4.346594     -8.008678      7.326624
  H      -0.794538     -5.654241      7.695746
  H      -0.922120     -6.805128      6.372444
  H       0.278754     -5.018320      5.080117
  H       0.159288     -3.826871      6.383673
  H      -0.508898     -3.446258      4.776645
  H      -3.382029     -4.069030      7.185172
  H      -1.776078     -3.504078      7.666162
  H      -2.538973     -2.799085      6.224357
  N      -4.725599     -3.338735      5.204096
  N      -5.308836     -2.672963      6.167989
  H      -4.678583     -2.269011      6.867179
  H      -6.121666     -3.160551      6.566998
87
Coordinates from ORCA-job orca E -5476.634101563553
  N      -3.793035     -3.284155      2.394746
  C      -3.784907     -4.012483      1.109091
  C      -3.051463     -5.333779      1.237437
  N      -3.608371     -6.093344      2.380795
  C      -4.814769     -6.879042      2.027961
  C      -5.707916     -6.850200      3.254715
  N      -5.892660     -5.438728      3.609936
  Mo     -4.208420     -4.432261      3.940769
  N      -2.554249     -5.214435      4.773193
  C      -1.730077     -6.077341      3.904092
  C      -2.601381     -6.947670      3.039879
  H      -1.080394     -6.730614      4.504731
  H      -1.053420     -5.467166      3.279718
  H      -3.136236     -7.672727      3.668119
  H      -2.011704     -7.508803      2.294425
  H      -6.661556     -7.355029      3.057172
  H      -5.241069     -7.406373      4.085337
  H      -5.329619     -6.383230      1.195038
  H      -4.532520     -7.897710      1.712881
  H      -3.282639     -3.423922      0.329373
  H      -4.820788     -4.178496      0.762043
  H      -1.990546     -5.134933      1.440282
  H      -3.119702     -5.926535      0.309579
  C      -1.581540      0.477521      0.696119
  C      -1.468229     -0.262951      1.807782
  C      -0.738685      0.243850      3.021775
  C      -2.016790     -1.671978      1.876492
  C      -3.528875     -1.817168      2.259767
  C      -4.448167     -1.207832      1.188168
  C      -3.802295     -1.079747      3.566033
  C      -6.833061     -5.577061      6.818142
  C      -7.856755     -5.091283      6.097302
  C      -8.800144     -4.061834      6.657837
  C      -8.147990     -5.580887      4.698453
  C      -7.299293     -4.947859      3.549525
  C      -7.934053     -5.356800      2.200595
  C      -7.369466     -3.419181      3.589574
  C      -3.003518     -6.402273      8.851115
  C      -2.686790     -6.657304      7.572735
  C      -3.497147     -7.610110      6.739086
  C      -1.483474     -6.021401      6.922681
  C      -1.752357     -4.796092      5.978022
  C      -0.390389     -4.225893      5.532531
  C      -2.443195     -3.729603      6.815980
  H      -1.182906      1.492446      0.647921
  H      -2.068225      0.092013     -0.201802
  H      -1.363142      0.196932      3.925590
  H      -0.401259      1.279179      2.887955
  H       0.146393     -0.381842      3.222982
  H      -1.447304     -2.250193      2.621908
  H      -1.856528     -2.156571      0.902406
  H      -4.265430     -0.127983      1.121641
  H      -5.501056     -1.363389      1.463642
  H      -4.282589     -1.630677      0.189137
  H      -4.848869     -1.199305      3.872255
  H      -3.154927     -1.431046      4.380003
  H      -3.613153     -0.009221      3.413737
  H      -6.171363     -6.350533      6.425518
  H      -6.642105     -5.237179      7.839081
  H      -9.823851     -4.466876      6.699646
  H      -8.854875     -3.167848      6.017025
  H      -8.515271     -3.751907      7.671968
  H      -8.017065     -6.672456      4.650488
  H      -9.205498     -5.383040      4.461850
  H      -8.044204     -6.441954      2.076733
  H      -7.337058     -4.963580      1.364777
  H      -8.940645     -4.921284      2.133233
  H      -8.412058     -3.104429      3.439649
  H      -7.031533     -2.988068      4.534606
  H      -6.764874     -2.985709      2.778935
  H      -3.866199     -6.873112      9.327215
  H      -2.403236     -5.727824      9.465473
  H      -3.896120     -7.090765      5.855354
  H      -2.869514     -8.436486      6.365676
  H      -4.331759     -8.036220      7.310398
  H      -0.808048     -5.644131      7.704474
  H      -0.915820     -6.789989      6.374207
  H       0.265214     -4.988128      5.092376
  H       0.132246     -3.805184      6.402013
  H      -0.536133     -3.420942      4.796502
  H      -3.412478     -4.078537      7.188041
  H      -1.811153     -3.515169      7.688019
  H      -2.564028     -2.797647      6.247745
  N      -4.736719     -3.326618      5.195955
  N      -5.318634     -2.652511      6.154280
  H      -4.686480     -2.237612      6.844159
  H      -6.123889     -3.143729      6.564049
87
Coordinates from ORCA-job orca E -5476.634245490977
  N      -3.813793     -3.268598      2.395407
  C      -3.820313     -3.999781      1.113340
  C      -3.069349     -5.312824      1.234516
  N      -3.609265     -6.079121      2.379976
  C      -4.808463     -6.879031      2.034930
  C      -5.696871     -6.852485      3.264521
  N      -5.900804     -5.440524      3.608217
  Mo     -4.229512     -4.413945      3.940065
  N      -2.579030     -5.192837      4.781510
  C      -1.735773     -6.033960      3.907333
  C      -2.587780     -6.916743      3.036108
  H      -1.075777     -6.680686      4.503586
  H      -1.069847     -5.405972      3.289844
  H      -3.107802     -7.658427      3.656915
  H      -1.983924     -7.460229      2.288941
  H      -6.643883     -7.374162      3.079296
  H      -5.217748     -7.394638      4.097544
  H      -5.330382     -6.393163      1.200649
  H      -4.517240     -7.896706      1.724969
  H      -3.337786     -3.409794      0.322650
  H      -4.858746     -4.179764      0.781215
  H      -2.010475     -5.097677      1.432620
  H      -3.131894     -5.905678      0.306387
  C      -1.562505      0.474153      0.703141
  C      -1.431514     -0.298889      1.790533
  C      -0.648835      0.154310      2.991702
  C      -2.014079     -1.694591      1.843455
  C      -3.521298     -1.810263      2.257325
  C      -4.450494     -1.177428      1.207415
  C      -3.744586     -1.066939      3.569838
  C      -6.814211     -5.572129      6.818434
  C      -7.848033     -5.097389      6.104322
  C      -8.793728     -4.070676      6.668161
  C      -8.148542     -5.597152      4.711299
  C      -7.312173     -4.967478      3.551315
  C      -7.950659     -5.399041      2.210725
  C      -7.395519     -3.439679      3.571958
  C      -3.003986     -6.444302      8.842191
  C      -2.678420     -6.675904      7.561490
  C      -3.465991     -7.633996      6.712771
  C      -1.488758     -6.003889      6.922368
  C      -1.787255     -4.772285      5.993547
  C      -0.439560     -4.162732      5.558186
  C      -2.505205     -3.735086      6.844716
  H      -1.139418      1.479185      0.666891
  H      -2.087265      0.124347     -0.187165
  H      -1.239771      0.086987      3.916269
  H      -0.297911      1.187724      2.879271
  H       0.232249     -0.493157      3.138751
  H      -1.444103     -2.301308      2.565418
  H      -1.884150     -2.163071      0.857435
  H      -4.255635     -0.098851      1.147868
  H      -5.500711     -1.322539      1.499416
  H      -4.307176     -1.593317      0.201616
  H      -4.790049     -1.142602      3.893290
  H      -3.098170     -1.448542      4.371645
  H      -3.512815     -0.004650      3.417814
  H      -6.151673     -6.344198      6.423160
  H      -6.616097     -5.224915      7.835596
  H      -9.811743     -4.486882      6.732841
  H      -8.868825     -3.186751      6.014545
  H      -8.496475     -3.742355      7.673432
  H      -8.010790     -6.688063      4.667906
  H      -9.208881     -5.406363      4.481632
  H      -8.041160     -6.486274      2.096928
  H      -7.367461     -5.003478      1.367400
  H      -8.964825     -4.982937      2.148457
  H      -8.436025     -3.132540      3.399527
  H      -7.075577     -2.997471      4.517350
  H      -6.779225     -3.015332      2.766823
  H      -3.857089     -6.941427      9.308988
  H      -2.421945     -5.763503      9.467313
  H      -3.873516     -7.106374      5.837625
  H      -2.820524     -8.440709      6.327405
  H      -4.292453     -8.086297      7.275975
  H      -0.826839     -5.617759      7.711661
  H      -0.898873     -6.748509      6.365137
  H       0.235054     -4.901317      5.105768
  H       0.072318     -3.745229      6.435898
  H      -0.604688     -3.347182      4.837496
  H      -3.477856     -4.101084      7.192075
  H      -1.890611     -3.534804      7.733282
  H      -2.625124     -2.790385      6.297894
  N      -4.770595     -3.301293      5.180950
  N      -5.353591     -2.609063      6.127000
  H      -4.718496     -2.174429      6.802074
  H      -6.151477     -3.099137      6.551752
87
Coordinates from ORCA-job orca E -5476.634307887455
  N      -3.832963     -3.253039      2.392810
  C      -3.855353     -3.986805      1.114394
  C      -3.088127     -5.291778      1.227587
  N      -3.611229     -6.063479      2.376475
  C      -4.802073     -6.878501      2.039211
  C      -5.687149     -6.854138      3.271047
  N      -5.909455     -5.442265      3.604190
  Mo     -4.251489     -4.395427      3.936954
  N      -2.604162     -5.169076      4.787571
  C      -1.741689     -5.985064      3.906906
  C      -2.574329     -6.882877      3.030537
  H      -1.066562     -6.620363      4.498188
  H      -1.091553     -5.336713      3.293648
  H      -3.078192     -7.639310      3.646467
  H      -1.956506     -7.409447      2.282637
  H      -6.627536     -7.390862      3.095384
  H      -5.197591     -7.382923      4.106597
  H      -5.331090     -6.403299      1.203397
  H      -4.500708     -7.894715      1.734507
  H      -3.394021     -3.394997      0.312636
  H      -4.897022     -4.179639      0.799715
  H      -2.030871     -5.063691      1.419352
  H      -3.148910     -5.885160      0.299680
  C      -1.538173      0.472799      0.721239
  C      -1.390056     -0.339642      1.776469
  C      -0.551342      0.049765      2.962220
  C      -2.009752     -1.719757      1.807081
  C      -3.510186     -1.803912      2.254587
  C      -4.447938     -1.143421      1.229431
  C      -3.683447     -1.061334      3.575298
  C      -6.789393     -5.577293      6.816059
  C      -7.834090     -5.110193      6.111820
  C      -8.778044     -4.085254      6.682228
  C      -8.147806     -5.617198      4.723988
  C      -7.327249     -4.988076      3.553107
  C      -7.967906     -5.441178      2.220576
  C      -7.427597     -3.461433      3.558098
  C      -3.003720     -6.472962      8.835874
  C      -2.671995     -6.685159      7.553549
  C      -3.437749     -7.650431      6.694174
  C      -1.498004     -5.980075      6.922227
  C      -1.826031     -4.745660      6.007332
  C      -0.493973     -4.095396      5.583420
  C      -2.574423     -3.736434      6.866203
  H      -1.088226      1.466280      0.702334
  H      -2.103965      0.167278     -0.160235
  H      -1.106670     -0.044518      3.905913
  H      -0.183080      1.079463      2.877538
  H       0.320487     -0.619875      3.047718
  H      -1.440785     -2.359494      2.500390
  H      -1.914551     -2.166777      0.807388
  H      -4.235805     -0.067592      1.176034
  H      -5.494675     -1.274356      1.541377
  H      -4.331644     -1.552840      0.217126
  H      -4.725693     -1.097226      3.915430
  H      -3.038513     -1.473277      4.363746
  H      -3.412612     -0.008186      3.425204
  H      -6.129231     -6.349317      6.416903
  H      -6.579945     -5.223234      7.828836
  H      -9.791143     -4.509691      6.769847
  H      -8.872517     -3.208683      6.020307
  H      -8.465459     -3.743883      7.679167
  H      -8.001381     -6.707390      4.682859
  H      -9.211718     -5.435421      4.504382
  H      -8.040539     -6.530094      2.114943
  H      -7.396707     -5.042584      1.370988
  H      -8.989036     -5.043017      2.162509
  H      -8.469129     -3.167623      3.372350
  H      -7.119842     -3.007866      4.501296
  H      -6.807887     -3.040958      2.754097
  H      -3.846375     -6.992851      9.296556
  H      -2.438277     -5.784577      9.467742
  H      -3.853426     -7.120136      5.824587
  H      -2.775179     -8.439511      6.301794
  H      -4.255742     -8.125357      7.250895
  H      -0.846747     -5.586373      7.716623
  H      -0.889250     -6.703271      6.357902
  H       0.199760     -4.807932      5.118174
  H       0.006696     -3.680544      6.468928
  H      -0.680751     -3.271047      4.878255
  H      -3.547112     -4.122557      7.190654
  H      -1.978732     -3.541277      7.768838
  H      -2.698316     -2.784184      6.334196
  N      -4.804698     -3.276646      5.165901
  N      -5.394426     -2.568683      6.098338
  H      -4.760219     -2.119209      6.764774
  H      -6.191289     -3.053138      6.530366
87
Coordinates from ORCA-job orca E -5476.634415009471
  N      -3.834503     -3.253789      2.390763
  C      -3.858077     -3.986210      1.111704
  C      -3.090964     -5.291025      1.222347
  N      -3.613277     -6.062630      2.372458
  C      -4.803693     -6.877970      2.035630
  C      -5.688299     -6.855282      3.267915
  N      -5.909960     -5.444215      3.604282
  Mo     -4.251399     -4.397748      3.935912
  N      -2.598478     -5.166894      4.780542
  C      -1.739426     -5.983394      3.898222
  C      -2.574981     -6.882018      3.024956
  H      -1.061018     -6.615835      4.488713
  H      -1.092980     -5.334788      3.281245
  H      -3.077405     -7.637362      3.643530
  H      -1.958584     -7.409011      2.276371
  H      -6.628964     -7.391009      3.090498
  H      -5.198681     -7.385806      4.102259
  H      -5.333359     -6.402113      1.200724
  H      -4.501696     -7.893395      1.729416
  H      -3.399943     -3.392293      0.309542
  H      -4.900778     -4.179062      0.800321
  H      -2.033199     -5.065399      1.412390
  H      -3.155523     -5.884572      0.294806
  C      -1.521898      0.465927      0.722394
  C      -1.386538     -0.344080      1.783026
  C      -0.561802      0.048567      2.977652
  C      -2.006903     -1.724239      1.812996
  C      -3.507972     -1.805393      2.256787
  C      -4.441786     -1.141000      1.230659
  C      -3.686147     -1.066990      3.578919
  C      -6.789894     -5.583982      6.815611
  C      -7.834920     -5.116585      6.112306
  C      -8.778571     -4.092803      6.683492
  C      -8.147827     -5.622565      4.723804
  C      -7.329113     -4.989477      3.554823
  C      -7.968764     -5.438014      2.220522
  C      -7.429046     -3.462511      3.566067
  C      -3.002122     -6.451384      8.837606
  C      -2.674110     -6.673372      7.556104
  C      -3.444931     -7.641454      6.705027
  C      -1.498772     -5.977426      6.918065
  C      -1.821526     -4.745060      6.000297
  C      -0.486559     -4.098940      5.576951
  C      -2.568275     -3.728345      6.852854
  H      -1.070991      1.459366      0.705059
  H      -2.076937      0.158949     -0.165900
  H      -1.129961     -0.039197      3.916414
  H      -0.188303      1.077096      2.890774
  H       0.306010     -0.625747      3.077748
  H      -1.441938     -2.363488      2.510299
  H      -1.909596     -2.173920      0.813836
  H      -4.226212     -0.066198      1.177615
  H      -5.488528     -1.269366      1.542177
  H      -4.326341     -1.550580      0.218698
  H      -4.729540     -1.104864      3.913687
  H      -3.043842     -1.480149      4.368580
  H      -3.416014     -0.013538      3.432013
  H      -6.130653     -6.355880      6.416603
  H      -6.578541     -5.228869      7.827362
  H      -9.791363     -4.518068      6.772978
  H      -8.874983     -3.215537      6.023471
  H      -8.463723     -3.752916      7.680152
  H      -7.996308     -6.711974      4.681642
  H      -9.212419     -5.446296      4.504624
  H      -8.045423     -6.526295      2.111367
  H      -7.394650     -5.038490      1.373336
  H      -8.988450     -5.036259      2.161304
  H      -8.472346     -3.170917      3.386590
  H      -7.115975     -3.011480      4.508908
  H      -6.814227     -3.038097      2.760387
  H      -3.846059     -6.963685      9.304139
  H      -2.431866     -5.761038      9.462589
  H      -3.858660     -7.117581      5.830416
  H      -2.785462     -8.436134      6.318821
  H      -4.264523     -8.109022      7.265312
  H      -0.840758     -5.587111      7.708425
  H      -0.897503     -6.707403      6.354491
  H       0.205266     -4.812259      5.111280
  H       0.014860     -3.684858      6.462167
  H      -0.671592     -3.274970      4.871698
  H      -3.540817     -4.111572      7.179299
  H      -1.974087     -3.525313      7.754340
  H      -2.690362     -2.781110      6.312680
  N      -4.804244     -3.281050      5.167739
  N      -5.401005     -2.573844      6.098827
  H      -4.769656     -2.126745      6.769971
  H      -6.201407     -3.056636      6.525418
87
Coordinates from ORCA-job orca E -5476.634491939653
  N      -3.832455     -3.253168      2.387071
  C      -3.859533     -3.984601      1.107559
  C      -3.093335     -5.289587      1.216012
  N      -3.613759     -6.058179      2.370281
  C      -4.802273     -6.876862      2.035622
  C      -5.687832     -6.854343      3.267377
  N      -5.911096     -5.443446      3.603309
  Mo     -4.253148     -4.396420      3.934080
  N      -2.597188     -5.159892      4.778129
  C      -1.737789     -5.972078      3.893491
  C      -2.572977     -6.874585      3.023676
  H      -1.052102     -6.597944      4.482710
  H      -1.098949     -5.319826      3.272089
  H      -3.073396     -7.628209      3.646206
  H      -1.956576     -7.402339      2.275780
  H      -6.627777     -7.390280      3.086958
  H      -5.199091     -7.384470      4.102422
  H      -5.333011     -6.403159      1.200186
  H      -4.498061     -7.891988      1.730670
  H      -3.405627     -3.389255      0.303867
  H      -4.903856     -4.177555      0.801250
  H      -2.034221     -5.067587      1.401177
  H      -3.165049     -5.885351      0.290491
  C      -1.513939      0.464508      0.722528
  C      -1.377291     -0.348907      1.779843
  C      -0.544693      0.038673      2.971936
  C      -2.001563     -1.727618      1.807854
  C      -3.501554     -1.805393      2.257107
  C      -4.435251     -1.135795      1.234338
  C      -3.679081     -1.071604      3.582282
  C      -6.785551     -5.581403      6.815391
  C      -7.833936     -5.121369      6.113572
  C      -8.783900     -4.104629      6.685362
  C      -8.144868     -5.631074      4.726264
  C      -7.332482     -4.992374      3.556363
  C      -7.971735     -5.440340      2.222075
  C      -7.436661     -3.464754      3.570803
  C      -2.996538     -6.446497      8.839657
  C      -2.675423     -6.669780      7.556494
  C      -3.452262     -7.636895      6.709807
  C      -1.501385     -5.977142      6.912138
  C      -1.825630     -4.741907      6.001103
  C      -0.491591     -4.088316      5.583644
  C      -2.578112     -3.732073      6.857947
  H      -1.059049      1.456906      0.707298
  H      -2.074148      0.163271     -0.165260
  H      -1.109339     -0.048068      3.913163
  H      -0.165516      1.065405      2.885627
  H       0.318576     -0.640652      3.066615
  H      -1.435658     -2.369804      2.501549
  H      -1.911752     -2.175514      0.806944
  H      -4.210892     -0.062987      1.176758
  H      -5.480851     -1.255465      1.553245
  H      -4.329712     -1.549526      0.222801
  H      -4.722446     -1.114841      3.916365
  H      -3.035032     -1.484760      4.370619
  H      -3.412826     -0.016765      3.437953
  H      -6.122565     -6.349844      6.417263
  H      -6.573634     -5.222346      7.825224
  H      -9.794006     -4.536897      6.776220
  H      -8.887189     -3.226899      6.027938
  H      -8.469861     -3.764832      7.682258
  H      -7.983648     -6.718886      4.685815
  H      -9.211347     -5.466002      4.508876
  H      -8.051514     -6.528918      2.112106
  H      -7.396009     -5.040823      1.375201
  H      -8.990938     -5.036062      2.161920
  H      -8.484362     -3.178421      3.404488
  H      -7.113638     -3.012077      4.510241
  H      -6.833245     -3.035055      2.758146
  H      -3.839418     -6.955600      9.311861
  H      -2.420080     -5.757809      9.460359
  H      -3.863117     -7.117767      5.831054
  H      -2.796316     -8.436700      6.327559
  H      -4.274362     -8.098299      7.271541
  H      -0.834180     -5.594419      7.698463
  H      -0.908328     -6.709813      6.342366
  H       0.202507     -4.795060      5.111635
  H       0.008194     -3.678860      6.471701
  H      -0.679737     -3.260619      4.883689
  H      -3.549657     -4.121468      7.180965
  H      -1.986702     -3.528521      7.761044
  H      -2.704535     -2.784182      6.318837
  N      -4.806277     -3.278117      5.164794
  N      -5.409854     -2.569537      6.091992
  H      -4.781892     -2.130754      6.772169
  H      -6.214892     -3.050784      6.511528
87
Coordinates from ORCA-job orca E -5476.634540214430
  N      -3.839183     -3.248439      2.383985
  C      -3.872362     -3.978938      1.104216
  C      -3.102084     -5.281831      1.207740
  N      -3.615227     -6.050425      2.365718
  C      -4.799861     -6.876417      2.035510
  C      -5.684793     -6.855535      3.267898
  N      -5.915042     -5.444838      3.600564
  Mo     -4.261500     -4.391692      3.931120
  N      -2.603801     -5.148597      4.776100
  C      -1.738794     -5.950092      3.887413
  C      -2.568089     -6.859087      3.018651
  H      -1.044072     -6.568824      4.473332
  H      -1.109759     -5.289569      3.264404
  H      -3.062645     -7.615536      3.642523
  H      -1.948824     -7.382820      2.270339
  H      -6.622159     -7.396216      3.087920
  H      -5.193724     -7.381947      4.103915
  H      -5.334063     -6.407412      1.199614
  H      -4.491179     -7.890939      1.732821
  H      -3.426889     -3.381639      0.297376
  H      -4.918188     -4.175997      0.805377
  H      -2.042187     -5.058259      1.386457
  H      -3.178734     -5.878730      0.283402
  C      -1.489188      0.457786      0.726757
  C      -1.359904     -0.364701      1.778769
  C      -0.521632      0.005710      2.972017
  C      -1.997761     -1.737289      1.800267
  C      -3.496280     -1.803427      2.257702
  C      -4.429062     -1.120444      1.242953
  C      -3.660274     -1.073688      3.587143
  C      -6.774151     -5.582711      6.816971
  C      -7.825476     -5.125967      6.117593
  C      -8.773864     -4.107606      6.688528
  C      -8.142121     -5.641966      4.734040
  C      -7.339590     -5.003172      3.557503
  C      -7.981356     -5.461166      2.228320
  C      -7.453098     -3.475936      3.564803
  C      -2.993965     -6.450674      8.839281
  C      -2.675337     -6.668622      7.554701
  C      -3.448673     -7.638416      6.707514
  C      -1.507159     -5.967369      6.908485
  C      -1.838582     -4.730577      6.002555
  C      -0.508523     -4.065340      5.590690
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  H      -1.024063      1.445754      0.717695
  H      -2.052719      0.169376     -0.162801
  H      -1.086891     -0.080248      3.913619
  H      -0.130089      1.028767      2.891044
  H       0.333684     -0.686197      3.061473
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  H      -1.918473     -2.179267      0.796012
  H      -4.192757     -0.050324      1.185332
  H      -5.473447     -1.228106      1.569552
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  H      -3.018841     -1.497747      4.371229
  H      -3.382733     -0.021102      3.447300
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  H      -8.882789     -3.233343      6.027753
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  H      -7.976090     -6.729093      4.696623
  H      -9.210803     -5.482848      4.522358
  H      -8.057301     -6.550815      2.124831
  H      -7.410407     -5.063878      1.376960
  H      -9.002752     -5.061315      2.169436
  H      -8.504608     -3.196640      3.405661
  H      -7.125699     -3.015573      4.499277
  H      -6.858394     -3.045638      2.744983
  H      -3.832636     -6.965268      9.313004
  H      -2.418602     -5.760958      9.459806
  H      -3.860335     -7.122561      5.827241
  H      -2.789686     -8.436445      6.326480
  H      -4.270070     -8.102365      7.268087
  H      -0.837846     -5.585722      7.693367
  H      -0.913993     -6.696594      6.334223
  H       0.190052     -4.764091      5.113646
  H      -0.011810     -3.658539      6.481677
  H      -0.701637     -3.234626      4.895809
  H      -3.574501     -4.122142      7.171490
  H      -2.017686     -3.532067      7.770822
  H      -2.723749     -2.778588      6.328422
  N      -4.816126     -3.271938      5.159917
  N      -5.423203     -2.558268      6.081039
  H      -4.797523     -2.118063      6.762421
  H      -6.225410     -3.041389      6.503508
87
Coordinates from ORCA-job orca E -5476.634590187100
  N      -3.845420     -3.242587      2.382464
  C      -3.886028     -3.971263      1.102085
  C      -3.110147     -5.271500      1.199149
  N      -3.614095     -6.040524      2.361332
  C      -4.793549     -6.875972      2.035409
  C      -5.678397     -6.857774      3.267804
  N      -5.918319     -5.447288      3.596499
  Mo     -4.271395     -4.385986      3.928731
  N      -2.613157     -5.135444      4.776887
  C      -1.739304     -5.922764      3.883890
  C      -2.559344     -6.839324      3.014406
  H      -1.034815     -6.533884      4.465926
  H      -1.121166     -5.251837      3.260816
  H      -3.047112     -7.600411      3.638269
  H      -1.935388     -7.357161      2.265854
  H      -6.612008     -7.404935      3.088152
  H      -5.184663     -7.379664      4.105138
  H      -5.331489     -6.412880      1.198501
  H      -4.479027     -7.889626      1.735687
  H      -3.450762     -3.371171      0.291888
  H      -4.933079     -4.174131      0.811374
  H      -2.049354     -5.044954      1.369569
  H      -3.192345     -5.869534      0.276059
  C      -1.473622      0.452250      0.727772
  C      -1.342117     -0.381906      1.770241
  C      -0.486756     -0.032621      2.957713
  C      -1.994978     -1.746949      1.786470
  C      -3.489649     -1.800976      2.258999
  C      -4.425068     -1.103582      1.256514
  C      -3.632668     -1.074772      3.592921
  C      -6.761450     -5.575358      6.820422
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  C      -8.764989     -4.105333      6.689252
  C      -8.137359     -5.652684      4.743890
  C      -7.345977     -5.016256      3.558691
  C      -7.993503     -5.486423      2.236482
  C      -7.467681     -3.489371      3.556071
  C      -2.991764     -6.468037      8.838120
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  C      -3.442310     -7.646135      6.700073
  C      -1.514604     -5.959882      6.906132
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  C      -0.533912     -4.034923      5.607764
  C      -2.633147     -3.734809      6.874530
  H      -0.997514      1.434902      0.723442
  H      -2.050358      0.179566     -0.158367
  H      -1.041912     -0.123195      3.904447
  H      -0.085979      0.986755      2.883633
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  H      -1.431040     -2.410640      2.461461
  H      -1.932303     -2.180675      0.777570
  H      -4.174609     -0.036887      1.196518
  H      -5.466639     -1.196166      1.596083
  H      -4.351142     -1.517530      0.242594
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  H      -2.991508     -1.511133      4.370589
  H      -3.341971     -0.025182      3.456355
  H      -6.100767     -6.347860      6.425738
  H      -6.540559     -5.203900      7.823760
  H      -9.772012     -4.541105      6.795681
  H      -8.880386     -3.236892      6.022211
  H      -8.443092     -3.751828      7.678539
  H      -7.965561     -6.739068      4.712284
  H      -9.208312     -5.500959      4.537440
  H      -8.067872     -6.577120      2.143036
  H      -7.428674     -5.095503      1.378264
  H      -9.016044     -5.089302      2.179704
  H      -8.521961     -3.214974      3.405418
  H      -7.133776     -3.019662      4.484193
  H      -6.882958     -3.061741      2.727702
  H      -3.824691     -6.992341      9.311195
  H      -2.419454     -5.778019      9.461329
  H      -3.854264     -7.132047      5.819089
  H      -2.778655     -8.440598      6.319352
  H      -4.263214     -8.115201      7.257183
  H      -0.844861     -5.579662      7.691217
  H      -0.919213     -6.681843      6.324985
  H       0.172673     -4.721209      5.124272
  H      -0.043212     -3.632527      6.504084
  H      -0.734133     -3.198903      4.921040
  H      -3.610893     -4.133299      7.165344
  H      -2.061262     -3.549362      7.793308
  H      -2.752994     -2.776015      6.353896
  N      -4.829784     -3.265104      5.154374
  N      -5.438251     -2.542621      6.067388
  H      -4.813981     -2.098952      6.747583
  H      -6.236310     -3.027600      6.495974
87
Coordinates from ORCA-job orca E -5476.634632015850
  N      -3.849909     -3.234820      2.382052
  C      -3.897781     -3.961212      1.100685
  C      -3.116136     -5.258771      1.191661
  N      -3.612042     -6.029217      2.356439
  C      -4.786216     -6.873094      2.033021
  C      -5.671608     -6.858224      3.264855
  N      -5.921347     -5.448274      3.589759
  Mo     -4.281470     -4.378567      3.926392
  N      -2.624711     -5.123633      4.779081
  C      -1.741050     -5.896513      3.882715
  C      -2.550946     -6.819045      3.010218
  H      -1.029171     -6.502048      4.461541
  H      -1.131614     -5.215647      3.261875
  H      -3.033011     -7.585416      3.632219
  H      -1.921554     -7.330581      2.261872
  H      -6.601491     -7.411659      3.084996
  H      -5.175762     -7.375901      4.103559
  H      -5.327030     -6.415177      1.195021
  H      -4.466071     -7.885627      1.735779
  H      -3.472276     -3.358100      0.287784
  H      -4.945693     -4.169817      0.817644
  H      -2.054777     -5.028784      1.355075
  H      -3.202424     -5.856820      0.268955
  C      -1.457388      0.445803      0.723088
  C      -1.324112     -0.397173      1.758166
  C      -0.452479     -0.065928      2.938831
  C      -1.991764     -1.754583      1.772168
  C      -3.481826     -1.796517      2.260501
  C      -4.421323     -1.085950      1.271252
  C      -3.602300     -1.074583      3.598697
  C      -6.743357     -5.565771      6.823818
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  C      -8.754286     -4.104125      6.695363
  C      -8.130425     -5.662123      4.755476
  C      -7.352243     -5.029278      3.559407
  C      -8.007668     -5.517257      2.247565
  C      -7.484513     -3.503658      3.541653
  C      -2.990741     -6.489645      8.836777
  C      -2.677060     -6.684287      7.547480
  C      -3.437614     -7.656814      6.692036
  C      -1.523702     -5.955952      6.904225
  C      -1.878064     -4.709867      6.018626
  C      -0.562219     -4.006170      5.628176
  C      -2.668528     -3.744489      6.890949
  H      -0.970336      1.422846      0.720473
  H      -2.046668      0.186154     -0.158632
  H      -0.998160     -0.156893      3.890927
  H      -0.041292      0.949358      2.867699
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  H      -1.945611     -2.181336      0.759530
  H      -4.157632     -0.022722      1.207984
  H      -5.459273     -1.163863      1.624807
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  H      -2.960696     -1.524162      4.368757
  H      -3.297984     -0.028496      3.465356
  H      -6.080826     -6.337678      6.429025
  H      -6.518490     -5.187999      7.824268
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  H      -8.877206     -3.239688      6.023401
  H      -8.429966     -3.743135      7.681617
  H      -7.951962     -6.747921      4.729351
  H      -9.203996     -5.518097      4.555743
  H      -8.079986     -6.609178      2.169407
  H      -7.451072     -5.136609      1.379686
  H      -9.031568     -5.123577      2.193603
  H      -8.540751     -3.236088      3.398156
  H      -7.145740     -3.021316      4.460532
  H      -6.910130     -3.081518      2.703936
  H      -3.817697     -7.024076      9.308674
  H      -2.421893     -5.799542      9.463299
  H      -3.849255     -7.144172      5.810467
  H      -2.769641     -8.448274      6.312430
  H      -4.258359     -8.130493      7.245857
  H      -0.854337     -5.577088      7.690304
  H      -0.925770     -6.669399      6.315492
  H       0.153284     -4.679351      5.139047
  H      -0.078309     -3.608381      6.530300
  H      -0.769609     -3.164607      4.950195
  H      -3.649788     -4.149788      7.161361
  H      -2.107942     -3.574499      7.819927
  H      -2.784587     -2.776880      6.385770
  N      -4.843883     -3.256072      5.148400
  N      -5.452498     -2.521218      6.050956
  H      -4.829355     -2.069718      6.726997
  H      -6.248708     -3.004098      6.486064
87
Coordinates from ORCA-job orca E -5476.634666407691
  N      -3.854986     -3.227521      2.383255
  C      -3.909405     -3.950391      1.100222
  C      -3.119492     -5.243682      1.184404
  N      -3.607310     -6.017393      2.350218
  C      -4.775417     -6.870270      2.027063
  C      -5.661899     -6.861741      3.257861
  N      -5.923649     -5.453235      3.581454
  Mo     -4.291822     -4.373314      3.924506
  N      -2.635354     -5.113127      4.781076
  C      -1.741036     -5.870819      3.881687
  C      -2.539517     -6.798379      3.003882
  H      -1.023409     -6.472176      4.457624
  H      -1.138674     -5.179820      3.265146
  H      -3.015207     -7.571866      3.622021
  H      -1.903844     -7.301538      2.255084
  H      -6.587006     -7.422510      3.077164
  H      -5.163111     -7.375647      4.097173
  H      -5.318903     -6.416860      1.188277
  H      -4.448129     -7.880814      1.730763
  H      -3.494275     -3.342837      0.285564
  H      -4.957653     -4.165848      0.824352
  H      -2.058416     -5.007874      1.342434
  H      -3.207334     -5.840982      0.261292
  C      -1.447695      0.439947      0.717351
  C      -1.309439     -0.410846      1.744891
  C      -0.420207     -0.095683      2.916796
  C      -1.990537     -1.761041      1.758020
  C      -3.474979     -1.792042      2.263870
  C      -4.420310     -1.068268      1.290008
  C      -3.569665     -1.074754      3.606444
  C      -6.730102     -5.551413      6.833321
  C      -7.792979     -5.119698      6.135475
  C      -8.742219     -4.092543      6.691512
  C      -8.122005     -5.673362      4.769858
  C      -7.357940     -5.045952      3.561858
  C      -8.026077     -5.550479      2.262106
  C      -7.498392     -3.521523      3.531519
  C      -2.993940     -6.514710      8.834615
  C      -2.680679     -6.696701      7.543464
  C      -3.432397     -7.671214      6.682804
  C      -1.534071     -5.954132      6.904552
  C      -1.898495     -4.703439      6.028519
  C      -0.589184     -3.981948      5.650011
  C      -2.702882     -3.755144      6.906222
  H      -0.951050      1.411747      0.714724
  H      -2.051092      0.191749     -0.158138
  H      -0.954065     -0.187192      3.874952
  H      -0.000592      0.915779      2.847211
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  H      -1.961231     -2.180714      0.742045
  H      -4.144861     -0.008243      1.224177
  H      -5.453808     -1.133394      1.658538
  H      -4.387098     -1.481892      0.273970
  H      -4.603312     -1.069979      3.972195
  H      -2.925574     -1.538101      4.366930
  H      -3.250926     -0.032508      3.475199
  H      -6.068092     -6.326776      6.445449
  H      -6.502456     -5.161856      7.828445
  H      -9.746447     -4.530997      6.812117
  H      -8.866168     -3.237224      6.008482
  H      -8.416793     -3.718790      7.672433
  H      -7.934588     -6.757769      4.752601
  H      -9.197989     -5.539589      4.575413
  H      -8.101295     -6.643138      2.200950
  H      -7.478724     -5.184055      1.382578
  H      -9.049479     -5.155775      2.213239
  H      -8.556963     -3.257810      3.399703
  H      -7.149239     -3.028898      4.441464
  H      -6.936992     -3.106335      2.682027
  H      -3.815733     -7.059986      9.303114
  H      -2.430722     -5.824135      9.465950
  H      -3.843294     -7.159715      5.800090
  H      -2.758757     -8.458716      6.304891
  H      -4.252868     -8.150647      7.232201
  H      -0.867742     -5.575106      7.693154
  H      -0.931385     -6.658580      6.310228
  H       0.135615     -4.643388      5.158322
  H      -0.113056     -3.587108      6.557744
  H      -0.802410     -3.136207      4.978969
  H      -3.688383     -4.165235      7.154392
  H      -2.155717     -3.602652      7.846461
  H      -2.811669     -2.778335      6.417487
  N      -4.860350     -3.249374      5.141407
  N      -5.466934     -2.498163      6.031937
  H      -4.842249     -2.034197      6.697321
  H      -6.257736     -2.976980      6.480974
87
Coordinates from ORCA-job orca E -5476.634706374014
  N      -3.853913     -3.223919      2.382577
  C      -3.908136     -3.944412      1.097485
  C      -3.115846     -5.236285      1.180791
  N      -3.604332     -6.012551      2.344252
  C      -4.770672     -6.866464      2.018100
  C      -5.658256     -6.862052      3.248020
  N      -5.924107     -5.454782      3.573363
  Mo     -4.294272     -4.371854      3.921212
  N      -2.639797     -5.113330      4.780052
  C      -1.741796     -5.867161      3.881203
  C      -2.536675     -6.793260      2.998568
  H      -1.026043     -6.470423      4.457532
  H      -1.137693     -5.174129      3.268820
  H      -3.012419     -7.569238      3.613441
  H      -1.898594     -7.293855      2.250099
  H      -6.581786     -7.424664      3.065330
  H      -5.158766     -7.376031      4.086854
  H      -5.314078     -6.412641      1.179505
  H      -4.441308     -7.875842      1.720332
  H      -3.494579     -3.334430      0.283982
  H      -4.956098     -4.161278      0.822558
  H      -2.055504     -4.998324      1.340649
  H      -3.201213     -5.831765      0.256215
  C      -1.442751      0.438389      0.714336
  C      -1.304464     -0.410173      1.743435
  C      -0.413310     -0.093467      2.913432
  C      -1.987623     -1.759384      1.758625
  C      -3.471544     -1.787904      2.265110
  C      -4.417054     -1.062089      1.293391
  C      -3.563417     -1.073411      3.609325
  C      -6.713542     -5.540056      6.839653
  C      -7.780790     -5.116548      6.143137
  C      -8.732771     -4.090338      6.697594
  C      -8.112144     -5.679147      4.781726
  C      -7.360116     -5.053831      3.564244
  C      -8.039475     -5.570218      2.274677
  C      -7.506245     -3.530568      3.524925
  C      -3.005983     -6.519702      8.832868
  C      -2.690866     -6.700855      7.542101
  C      -3.439859     -7.676646      6.680634
  C      -1.543332     -5.957726      6.905896
  C      -1.906276     -4.706015      6.030552
  C      -0.596304     -3.983838      5.655995
  C      -2.713657     -3.759159      6.907032
  H      -0.944472      1.409287      0.708577
  H      -2.047903      0.188725     -0.159441
  H      -0.946188     -0.178859      3.872399
  H       0.009208      0.916449      2.839335
  H       0.420539     -0.813701      2.959896
  H      -1.423180     -2.445229      2.410621
  H      -1.959273     -2.179617      0.742969
  H      -4.139703     -0.002595      1.226908
  H      -5.449850     -1.124818      1.663594
  H      -4.386546     -1.475828      0.277485
  H      -4.596147     -1.064440      3.976550
  H      -2.920484     -1.541677      4.367803
  H      -3.240804     -0.032115      3.480573
  H      -6.048238     -6.313484      6.452656
  H      -6.484885     -5.144977      7.832544
  H      -9.735295     -4.531392      6.821289
  H      -8.859865     -3.237872      6.011007
  H      -8.407524     -3.711453      7.676741
  H      -7.915678     -6.762188      4.768869
  H      -9.190297     -5.554451      4.592768
  H      -8.119156     -6.663222      2.227091
  H      -7.498894     -5.216098      1.385971
  H      -9.061774     -5.172447      2.230330
  H      -8.566673     -3.270397      3.404222
  H      -7.147059     -3.030761      4.426540
  H      -6.956573     -3.121142      2.665210
  H      -3.828450     -7.065644      9.299287
  H      -2.444820     -5.829050      9.465922
  H      -3.847325     -7.166975      5.795351
  H      -2.765430     -8.465750      6.307657
  H      -4.262480     -8.154516      7.228246
  H      -0.879160     -5.578397      7.696153
  H      -0.939358     -6.661322      6.312170
  H       0.131019     -4.645884      5.169206
  H      -0.123904     -3.586488      6.564647
  H      -0.807410     -3.139749      4.982578
  H      -3.700807     -4.169664      7.149664
  H      -2.170935     -3.610554      7.850767
  H      -2.818437     -2.780585      6.421048
  N      -4.864088     -3.247213      5.136751
  N      -5.468019     -2.485365      6.020549
  H      -4.840818     -2.012516      6.677384
  H      -6.257252     -2.958638      6.478330
87
Coordinates from ORCA-job orca E -5476.634758740122
  N      -3.846335     -3.219547      2.377894
  C      -3.896977     -3.937549      1.090385
  C      -3.103664     -5.228249      1.177214
  N      -3.598973     -6.005570      2.336331
  C      -4.763444     -6.858747      2.002992
  C      -5.654475     -6.860135      3.230341
  N      -5.925855     -5.454613      3.558903
  Mo     -4.298160     -4.367864      3.913173
  N      -2.650752     -5.115774      4.781731
  C      -1.746111     -5.864885      3.886130
  C      -2.534577     -6.788069      2.994093
  H      -1.035142     -6.471398      4.465249
  H      -1.136823     -5.169648      3.281673
  H      -3.012400     -7.567359      3.602853
  H      -1.891350     -7.285075      2.247694
  H      -6.575688     -7.424522      3.042795
  H      -5.155102     -7.374653      4.068876
  H      -5.304785     -6.402782      1.164294
  H      -4.431643     -7.866521      1.702610
  H      -3.481082     -3.325705      0.279528
  H      -4.944142     -4.153892      0.813050
  H      -2.045152     -4.988265      1.344869
  H      -3.181875     -5.822469      0.251152
  C      -1.432796      0.432323      0.695570
  C      -1.299556     -0.401811      1.737308
  C      -0.417687     -0.066355      2.908772
  C      -1.979060     -1.753249      1.763046
  C      -3.464911     -1.781523      2.262377
  C      -4.408483     -1.057703      1.288046
  C      -3.561640     -1.068686      3.607195
  C      -6.674796     -5.519494      6.850104
  C      -7.749968     -5.106820      6.158819
  C      -8.699409     -4.077038      6.710814
  C      -8.091773     -5.684755      4.806670
  C      -7.364467     -5.063582      3.571480
  C      -8.065645     -5.598263      2.300534
  C      -7.519783     -3.541877      3.519476
  C      -3.028903     -6.547186      8.826531
  C      -2.707988     -6.720690      7.536046
  C      -3.449441     -7.695805      6.667555
  C      -1.560285     -5.970338      6.908778
  C      -1.924460     -4.715505      6.038712
  C      -0.614878     -3.987092      5.674012
  C      -2.740821     -3.777406      6.916776
  H      -0.937143      1.404487      0.679358
  H      -2.030990      0.168304     -0.178507
  H      -0.958630     -0.131454      3.865003
  H       0.007785      0.941495      2.818404
  H       0.415206     -0.786730      2.976587
  H      -1.417524     -2.432582      2.424395
  H      -1.942644     -2.183072      0.751612
  H      -4.132595      0.002099      1.220911
  H      -5.441901     -1.121868      1.655777
  H      -4.374525     -1.472622      0.272914
  H      -4.594649     -1.055538      3.972024
  H      -2.921516     -1.539974      4.366293
  H      -3.236930     -0.027813      3.480394
  H      -6.009243     -6.293342      6.464988
  H      -6.438708     -5.113174      7.836724
  H      -9.701880     -4.515685      6.841641
  H      -8.827586     -3.228961      6.018824
  H      -8.369433     -3.691820      7.685929
  H      -7.879512     -6.764953      4.800565
  H      -9.173802     -5.575891      4.631015
  H      -8.158321     -6.691167      2.276851
  H      -7.535290     -5.268134      1.396315
  H      -9.084068     -5.190102      2.263955
  H      -8.583552     -3.288657      3.420859
  H      -7.141069     -3.031574      4.406338
  H      -6.992592     -3.140870      2.641978
  H      -3.851910     -7.098430      9.285971
  H      -2.474168     -5.857617      9.466135
  H      -3.851304     -7.184985      5.780406
  H      -2.771103     -8.483442      6.298774
  H      -4.274622     -8.176278      7.208928
  H      -0.902818     -5.590323      7.704347
  H      -0.949029     -6.667925      6.315216
  H       0.119904     -4.646691      5.194817
  H      -0.151528     -3.585299      6.585377
  H      -0.825439     -3.145475      4.997340
  H      -3.728433     -4.194106      7.147954
  H      -2.207773     -3.636611      7.867496
  H      -2.842325     -2.794398      6.439058
  N      -4.872116     -3.238744      5.121747
  N      -5.468707     -2.456544      5.994644
  H      -4.832719     -1.974551      6.636700
  H      -6.255336     -2.916830      6.469336
87
Coordinates from ORCA-job orca E -5476.634779250275
  N      -3.840681     -3.222713      2.375472
  C      -3.883292     -3.941169      1.087299
  C      -3.093911     -5.233383      1.180012
  N      -3.598565     -6.010134      2.335356
  C      -4.766275     -6.856446      1.996754
  C      -5.659018     -6.858846      3.222945
  N      -5.925094     -5.453573      3.556991
  Mo     -4.292971     -4.371487      3.910720
  N      -2.646520     -5.123436      4.779532
  C      -1.746858     -5.882594      3.888047
  C      -2.540569     -6.800042      2.994666
  H      -1.043467     -6.494406      4.470875
  H      -1.128739     -5.194278      3.284641
  H      -3.024124     -7.576306      3.602727
  H      -1.899226     -7.300773      2.249169
  H      -6.582205     -7.418743      3.031379
  H      -5.162407     -7.378505      4.059995
  H      -5.304565     -6.394646      1.159253
  H      -4.438298     -7.864379      1.692594
  H      -3.459138     -3.330495      0.279733
  H      -4.929380     -4.153643      0.802739
  H      -2.036505     -4.995402      1.356523
  H      -3.165979     -5.827038      0.253076
  C      -1.440303      0.436325      0.696287
  C      -1.307647     -0.389661      1.744129
  C      -0.435746     -0.039653      2.918980
  C      -1.977404     -1.746150      1.772966
  C      -3.466938     -1.781867      2.260297
  C      -4.407469     -1.066235      1.277215
  C      -3.579972     -1.067420      3.603222
  C      -6.672314     -5.522820      6.852629
  C      -7.746558     -5.108236      6.161706
  C      -8.694903     -4.078507      6.715038
  C      -8.088719     -5.684182      4.808858
  C      -7.363200     -5.059511      3.574384
  C      -8.067098     -5.588445      2.302406
  C      -7.516431     -3.536768      3.528780
  C      -3.041549     -6.537914      8.826825
  C      -2.714990     -6.718844      7.538745
  C      -3.455485     -7.695614      6.670907
  C      -1.562841     -5.974179      6.912991
  C      -1.917163     -4.722846      6.034356
  C      -0.600528     -4.008264      5.666349
  C      -2.726451     -3.771066      6.904596
  H      -0.951996      1.412291      0.677187
  H      -2.031164      0.161750     -0.179718
  H      -0.983216     -0.100208      3.871482
  H      -0.015534      0.969814      2.823724
  H       0.400847     -0.753798      2.998387
  H      -1.416480     -2.417150      2.443130
  H      -1.929056     -2.182381      0.764730
  H      -4.140220     -0.003957      1.213613
  H      -5.443939     -1.140812      1.635256
  H      -4.359644     -1.479940      0.261915
  H      -4.615955     -1.062471      3.960210
  H      -2.940826     -1.530740      4.368167
  H      -3.264213     -0.023819      3.475551
  H      -6.008104     -6.297411      6.467584
  H      -6.436076     -5.117504      7.839629
  H      -9.698629     -4.515142      6.843758
  H      -8.820379     -3.227942      6.025780
  H      -8.364566     -3.697124      7.691578
  H      -7.873855     -6.763832      4.800669
  H      -9.171022     -5.577740      4.634402
  H      -8.167761     -6.680897      2.277461
  H      -7.533645     -5.260737      1.398863
  H      -9.082696     -5.172982      2.266006
  H      -8.581151     -3.282744      3.436774
  H      -7.132001     -3.030913      4.416184
  H      -6.993196     -3.132591      2.649672
  H      -3.868120     -7.084774      9.285366
  H      -2.487865     -5.846803      9.465625
  H      -3.855710     -7.185411      5.782483
  H      -2.776653     -8.483923      6.304492
  H      -4.281409     -8.174810      7.211997
  H      -0.908149     -5.591746      7.709674
  H      -0.950045     -6.676580      6.326489
  H       0.130044     -4.677951      5.194566
  H      -0.136250     -3.601828      6.575181
  H      -0.803232     -3.171370      4.981449
  H      -3.714867     -4.180441      7.141515
  H      -2.192177     -3.622231      7.852854
  H      -2.822959     -2.793060      6.416929
  N      -4.866266     -3.242557      5.119907
  N      -5.462085     -2.459229      5.992564
  H      -4.824480     -1.971161      6.628570
  H      -6.245597     -2.916839      6.474026
87
Coordinates from ORCA-job orca E -5476.634802642836
  N      -3.837246     -3.220051      2.371957
  C      -3.880112     -3.938972      1.084299
  C      -3.090615     -5.230679      1.179144
  N      -3.597372     -6.005614      2.334837
  C      -4.764119     -6.852447      1.994864
  C      -5.658807     -6.855656      3.219563
  N      -5.927526     -5.450421      3.553378
  Mo     -4.296791     -4.366595      3.907207
  N      -2.655474     -5.120773      4.784364
  C      -1.751136     -5.875117      3.893348
  C      -2.539863     -6.794090      2.996672
  H      -1.045972     -6.484265      4.476577
  H      -1.134901     -5.182977      3.292190
  H      -3.023029     -7.572132      3.602752
  H      -1.894839     -7.292056      2.252580
  H      -6.580771     -7.416599      3.025482
  H      -5.163155     -7.375063      4.057368
  H      -5.301556     -6.390245      1.157005
  H      -4.435575     -7.860203      1.690649
  H      -3.455700     -3.329221      0.276105
  H      -4.926248     -4.151274      0.799543
  H      -2.033910     -4.992050      1.358447
  H      -3.160074     -5.825966      0.253130
  C      -1.434298      0.432868      0.683806
  C      -1.300730     -0.391445      1.733148
  C      -0.426388     -0.040249      2.905891
  C      -1.971801     -1.747388      1.766018
  C      -3.460592     -1.780355      2.256709
  C      -4.401935     -1.062208      1.276310
  C      -3.568629     -1.066031      3.600173
  C      -6.652313     -5.521486      6.852124
  C      -7.731410     -5.108813      6.168101
  C      -8.677363     -4.079684      6.726842
  C      -8.081817     -5.687553      4.818584
  C      -7.367087     -5.062033      3.578585
  C      -8.075939     -5.595674      2.311386
  C      -7.525868     -3.539402      3.530043
  C      -3.052638     -6.559433      8.822776
  C      -2.719471     -6.731383      7.535206
  C      -3.449322     -7.708248      6.658477
  C      -1.571308     -5.974345      6.917326
  C      -1.932505     -4.722308      6.043000
  C      -0.619904     -3.996159      5.682824
  C      -2.752078     -3.780563      6.914709
  H      -0.945113      1.408546      0.662274
  H      -2.026903      0.157364     -0.190907
  H      -0.973239     -0.097246      3.859390
  H      -0.003786      0.968055      2.807461
  H       0.408466     -0.756510      2.985802
  H      -1.410067     -2.416939      2.436907
  H      -1.925525     -2.186201      0.758619
  H      -4.134296      0.000068      1.214884
  H      -5.437965     -1.138030      1.636007
  H      -4.355714     -1.473645      0.259826
  H      -4.604597     -1.057835      3.957772
  H      -2.929625     -1.531058      4.364233
  H      -3.249636     -0.023517      3.471699
  H      -5.990658     -6.297047      6.464281
  H      -6.408865     -5.113512      7.836230
  H      -9.679669     -4.517212      6.863426
  H      -8.809293     -3.229434      6.038531
  H      -8.340284     -3.697664      7.700868
  H      -7.862331     -6.766265      4.810254
  H      -9.165793     -5.586537      4.651824
  H      -8.180486     -6.687931      2.292329
  H      -7.543792     -5.274047      1.404871
  H      -9.090448     -5.177236      2.275789
  H      -8.592419     -3.290008      3.444367
  H      -7.137441     -3.029717      4.413625
  H      -7.009518     -3.134798      2.646871
  H      -3.876569     -7.114886      9.275650
  H      -2.506375     -5.867530      9.466961
  H      -3.849331     -7.194939      5.771903
  H      -2.762967     -8.488829      6.289414
  H      -4.273875     -8.197078      7.192884
  H      -0.922795     -5.590192      7.718130
  H      -0.949651     -6.669153      6.330940
  H       0.116820     -4.657605      5.208589
  H      -0.161424     -3.591370      6.595271
  H      -0.827469     -3.157171      5.001707
  H      -3.741106     -4.194355      7.140417
  H      -2.225946     -3.635410      7.867900
  H      -2.848135     -2.799826      6.432636
  N      -4.872535     -3.233701      5.111103
  N      -5.467369     -2.442374      5.977829
  H      -4.827757     -1.950386      6.609046
  H      -6.248129     -2.896467      6.466733
87
Coordinates from ORCA-job orca E -5476.634820011102
  N      -3.836809     -3.219660      2.368457
  C      -3.877791     -3.939279      1.081164
  C      -3.088517     -5.230703      1.179125
  N      -3.597468     -6.003886      2.335099
  C      -4.764482     -6.849897      1.994004
  C      -5.660258     -6.853685      3.217625
  N      -5.929580     -5.448372      3.552093
  Mo     -4.298214     -4.364891      3.904566
  N      -2.659545     -5.119731      4.786702
  C      -1.754157     -5.874836      3.897037
  C      -2.541703     -6.793113      2.998784
  H      -1.049731     -6.483730      4.481441
  H      -1.136897     -5.182606      3.296956
  H      -3.026549     -7.570852      3.603798
  H      -1.895611     -7.290918      2.255519
  H      -6.581717     -7.414501      3.021364
  H      -5.166018     -7.374109      4.055660
  H      -5.301114     -6.386172      1.156465
  H      -4.436638     -7.857708      1.688929
  H      -3.451063     -3.330616      0.273361
  H      -4.923423     -4.150761      0.794167
  H      -2.032554     -4.991116      1.361530
  H      -3.154539     -5.827962      0.254208
  C      -1.429282      0.431446      0.682217
  C      -1.297836     -0.392482      1.732307
  C      -0.426124     -0.040949      2.906803
  C      -1.968928     -1.748489      1.765488
  C      -3.459035     -1.780452      2.252978
  C      -4.397690     -1.062354      1.269770
  C      -3.569387     -1.064440      3.595445
  C      -6.642462     -5.523542      6.851836
  C      -7.723140     -5.109146      6.171682
  C      -8.665304     -4.078334      6.733481
  C      -8.079286     -5.688383      4.823957
  C      -7.369862     -5.062624      3.581510
  C      -8.081644     -5.596782      2.316293
  C      -7.531225     -3.540213      3.532488
  C      -3.060105     -6.567615      8.819147
  C      -2.720530     -6.736388      7.532831
  C      -3.441782     -7.715408      6.651113
  C      -1.574395     -5.972189      6.919795
  C      -1.938554     -4.720657      6.045963
  C      -0.627316     -3.990804      5.687606
  C      -2.760730     -3.781391      6.917793
  H      -0.940196      1.407286      0.661468
  H      -2.019980      0.155653     -0.193540
  H      -0.975863     -0.097560      3.858802
  H      -0.002677      0.967160      2.809176
  H       0.408007     -0.758259      2.988739
  H      -1.408036     -2.416338      2.438854
  H      -1.920294     -2.188979      0.759052
  H      -4.132484      0.000922      1.212451
  H      -5.435165     -1.142147      1.624683
  H      -4.345674     -1.470936      0.252295
  H      -4.606942     -1.054550      3.948810
  H      -2.933878     -1.528826      4.362180
  H      -3.248207     -0.022687      3.466593
  H      -5.984414     -6.301288      6.462045
  H      -6.394145     -5.115333      7.834511
  H      -9.667283     -4.514791      6.875781
  H      -8.800711     -3.228618      6.045658
  H      -8.322864     -3.696080      7.705373
  H      -7.859821     -6.767024      4.814880
  H      -9.164150     -5.588346      4.661789
  H      -8.189444     -6.688698      2.299611
  H      -7.549034     -5.278261      1.408942
  H      -9.095241     -5.175640      2.280564
  H      -8.598608     -3.292733      3.449763
  H      -7.141401     -3.028958      4.414620
  H      -7.017812     -3.134463      2.648147
  H      -3.882348     -7.128339      9.268614
  H      -2.519539     -5.873501      9.465899
  H      -3.843129     -7.200826      5.765835
  H      -2.749126     -8.489330      6.279782
  H      -4.264386     -8.212110      7.181392
  H      -0.930065     -5.586332      7.723171
  H      -0.946852     -6.663067      6.334801
  H       0.110454     -4.648983      5.210452
  H      -0.169746     -3.588195      6.601414
  H      -0.836918     -3.150134      5.008942
  H      -3.750824     -4.194293      7.140783
  H      -2.235943     -3.636130      7.871611
  H      -2.856814     -2.800262      6.436123
  N      -4.874894     -3.230191      5.105934
  N      -5.470317     -2.436727      5.970264
  H      -4.830281     -1.941261      6.598284
  H      -6.245754     -2.894510      6.464740
87
Coordinates from ORCA-job orca E -5476.634832736157
  N      -3.837838     -3.218346      2.364881
  C      -3.877023     -3.938105      1.077530
  C      -3.086974     -5.228804      1.177905
  N      -3.597650     -6.000996      2.333853
  C      -4.764380     -6.846714      1.991030
  C      -5.661492     -6.852091      3.213323
  N      -5.931792     -5.446990      3.548997
  Mo     -4.300566     -4.362923      3.901531
  N      -2.663753     -5.117724      4.787632
  C      -1.757172     -5.873433      3.899258
  C      -2.543487     -6.790781      2.999373
  H      -1.053984     -6.482774      4.484648
  H      -1.138469     -5.181206      3.300600
  H      -3.030130     -7.568379      3.603003
  H      -1.896298     -7.288483      2.256992
  H      -6.582429     -7.412702      3.014247
  H      -5.169027     -7.373979      4.051554
  H      -5.300353     -6.381643      1.153776
  H      -4.436582     -7.854236      1.684834
  H      -3.449103     -3.329559      0.270295
  H      -4.922053     -4.149754      0.788829
  H      -2.031763     -4.987567      1.362898
  H      -3.149644     -5.827658      0.253813
  C      -1.422754      0.430528      0.685897
  C      -1.292725     -0.395567      1.734355
  C      -0.420877     -0.047793      2.909900
  C      -1.965926     -1.750531      1.765706
  C      -3.457189     -1.779935      2.249725
  C      -4.392325     -1.060845      1.263672
  C      -3.569707     -1.062359      3.591196
  C      -6.630384     -5.524237      6.852355
  C      -7.714026     -5.110730      6.176478
  C      -8.654802     -4.080620      6.742039
  C      -8.075114     -5.691431      4.830689
  C      -7.373121     -5.065154      3.584671
  C      -8.089330     -5.602514      2.323243
  C      -7.538522     -3.543432      3.534354
  C      -3.071739     -6.569790      8.814415
  C      -2.724205     -6.738014      7.530175
  C      -3.435128     -7.721363      6.644780
  C      -1.579009     -5.968371      6.922224
  C      -1.944489     -4.717804      6.047463
  C      -0.633771     -3.986302      5.690149
  C      -2.767991     -3.779040      6.918317
  H      -0.932074      1.405566      0.667276
  H      -2.013853      0.157421     -0.190363
  H      -0.971084     -0.106763      3.861318
  H       0.003547      0.960027      2.815560
  H       0.412213     -0.766347      2.989864
  H      -1.406921     -2.418830      2.440204
  H      -1.915986     -2.191075      0.759455
  H      -4.128873      0.003227      1.210919
  H      -5.431460     -1.143762      1.613285
  H      -4.334412     -1.466229      0.245137
  H      -4.608787     -1.049854      3.940256
  H      -2.938168     -1.527031      4.361019
  H      -3.245274     -0.021584      3.462323
  H      -5.973668     -6.301826      6.459794
  H      -6.378076     -5.115575      7.833804
  H      -9.655071     -4.519034      6.890821
  H      -8.796340     -3.231882      6.054380
  H      -8.307768     -3.696779      7.711703
  H      -7.854071     -6.769759      4.821112
  H      -9.161106     -5.594044      4.673724
  H      -8.199162     -6.694264      2.311106
  H      -7.558352     -5.288177      1.413491
  H      -9.102386     -5.179913      2.288401
  H      -8.606901     -3.298389      3.457337
  H      -7.145270     -3.029459      4.413398
  H      -7.030999     -3.137438      2.646841
  H      -3.892903     -7.134666      9.260496
  H      -2.537947     -5.871909      9.462886
  H      -3.837444     -7.207320      5.759592
  H      -2.735361     -8.488843      6.273494
  H      -4.255866     -8.225557      7.171011
  H      -0.939430     -5.580327      7.728381
  H      -0.945814     -6.656347      6.339906
  H       0.103955     -4.642877      5.210935
  H      -0.176272     -3.585668      6.604866
  H      -0.843982     -3.144300      5.013350
  H      -3.759952     -4.189243      7.138258
  H      -2.244671     -3.634490      7.872989
  H      -2.862082     -2.797541      6.436715
  N      -4.878149     -3.227271      5.101283
  N      -5.474199     -2.429663      5.961614
  H      -4.834019     -1.925507      6.582430
  H      -6.242262     -2.890536      6.464869
87
Coordinates from ORCA-job orca E -5476.634843059378
  N      -3.840229     -3.217905      2.360975
  C      -3.877265     -3.937999      1.073685
  C      -3.086706     -5.228191      1.176662
  N      -3.598972     -5.999129      2.332757
  C      -4.765528     -6.844594      1.988397
  C      -5.663830     -6.850903      3.209550
  N      -5.934114     -5.445916      3.546224
  Mo     -4.302731     -4.361615      3.898739
  N      -2.666385     -5.115507      4.787001
  C      -1.759780     -5.873147      3.899963
  C      -2.546289     -6.789755      2.999760
  H      -1.058162     -6.483407      4.486367
  H      -1.139247     -5.182164      3.301810
  H      -3.034860     -7.566441      3.602860
  H      -1.899022     -7.288607      2.258197
  H      -6.584674     -7.410790      3.008229
  H      -5.173234     -7.374120      4.048092
  H      -5.300914     -6.378818      1.151134
  H      -4.437515     -7.851854      1.681595
  H      -3.447907     -3.329509      0.267207
  H      -4.921704     -4.149749      0.783156
  H      -2.032030     -4.985687      1.363286
  H      -3.147043     -5.828661      0.253469
  C      -1.412861      0.427890      0.693196
  C      -1.287825     -0.399764      1.741005
  C      -0.419946     -0.055033      2.920354
  C      -1.963336     -1.753648      1.769187
  C      -3.456797     -1.780113      2.245946
  C      -4.386101     -1.060796      1.254337
  C      -3.575251     -1.060231      3.585600
  C      -6.621749     -5.526826      6.852325
  C      -7.708180     -5.113691      6.180525
  C      -8.648209     -4.085327      6.750521
  C      -8.072967     -5.693540      4.835257
  C      -7.376021     -5.065980      3.587196
  C      -8.095818     -5.604136      2.328037
  C      -7.543714     -3.544866      3.538030
  C      -3.079526     -6.565699      8.809717
  C      -2.725408     -6.735999      7.527511
  C      -3.427683     -7.724836      6.641431
  C      -1.580588     -5.963360      6.922433
  C      -1.947022     -4.713954      6.046168
  C      -0.636561     -3.982574      5.687343
  C      -2.770124     -3.774302      6.916315
  H      -0.920431      1.402014      0.677526
  H      -2.001296      0.156944     -0.185430
  H      -0.973514     -0.116403      3.869604
  H       0.005056      0.952842      2.830129
  H       0.412489     -0.774256      3.001446
  H      -1.408439     -2.422637      2.446377
  H      -1.909524     -2.194621      0.763343
  H      -4.124047      0.003879      1.205523
  H      -5.427650     -1.145879      1.596339
  H      -4.320084     -1.464104      0.235458
  H      -4.616289     -1.045919      3.928905
  H      -2.948670     -1.524351      4.359762
  H      -3.248403     -0.020195      3.456856
  H      -5.965363     -6.302783      6.455995
  H      -6.366625     -5.119443      7.833583
  H      -9.646700     -4.526158      6.904259
  H      -8.795023     -3.236876      6.063650
  H      -8.297645     -3.700796      7.718663
  H      -7.851770     -6.771878      4.824048
  H      -9.159653     -5.596833      4.682145
  H      -8.207430     -6.695663      2.318164
  H      -7.566099     -5.292131      1.416778
  H      -9.108198     -5.180126      2.294375
  H      -8.612453     -3.301023      3.466222
  H      -7.147328     -3.030119      4.414994
  H      -7.041274     -3.138077      2.648248
  H      -3.900032     -7.132895      9.253973
  H      -2.551554     -5.863360      9.458163
  H      -3.832062     -7.213175      5.755735
  H      -2.721847     -8.487129      6.271083
  H      -4.245942     -8.234942      7.165926
  H      -0.944455     -5.573058      7.730289
  H      -0.943553     -6.649777      6.342479
  H       0.099964     -4.639190      5.206544
  H      -0.177413     -3.583014      6.601686
  H      -0.847182     -3.139933      5.011550
  H      -3.762248     -4.183908      7.137980
  H      -2.245256     -3.628066      7.869987
  H      -2.865629     -2.793451      6.433017
  N      -4.880676     -3.225727      5.097917
  N      -5.477646     -2.425793      5.956068
  H      -4.837233     -1.914232      6.570536
  H      -6.238842     -2.890496      6.466403
87
Coordinates from ORCA-job orca E -5447.247063023450
  N      -3.845184     -3.216401      2.357231
  C      -3.881255     -3.936514      1.069923
  C      -3.089084     -5.225717      1.174107
  N      -3.601227     -5.995718      2.330952
  C      -4.766384     -6.842931      1.985778
  C      -5.665872     -6.850478      3.205908
  N      -5.937527     -5.445744      3.542534
  Mo     -4.307311     -4.359369      3.896011
  N      -2.669931     -5.110259      4.785247
  C      -1.762519     -5.867927      3.898866
  C      -2.548337     -6.785385      2.999035
  H      -1.060935     -6.477957      4.485632
  H      -1.141974     -5.177140      3.300589
  H      -3.037228     -7.561810      3.602150
  H      -1.900712     -7.284796      2.258139
  H      -6.586123     -7.410626      3.002663
  H      -5.176638     -7.373872      4.045188
  H      -5.301941     -6.378218      1.148013
  H      -4.436501     -7.849651      1.679338
  H      -3.452593     -3.327317      0.263655
  H      -4.925379     -4.149642      0.779377
  H      -2.034654     -4.981681      1.360318
  H      -3.148846     -5.827571      0.251739
  C      -1.398375      0.423223      0.704825
  C      -1.279264     -0.408637      1.749843
  C      -0.412487     -0.072045      2.932470
  C      -1.960788     -1.759556      1.772482
  C      -3.456076     -1.779990      2.243001
  C      -4.378549     -1.057759      1.247000
  C      -3.578354     -1.058796      3.581486
  C      -6.611519     -5.528688      6.852028
  C      -7.701651     -5.117434      6.184701
  C      -8.641238     -4.091027      6.758669
  C      -8.070939     -5.697432      4.840624
  C      -7.380304     -5.069025      3.589506
  C      -8.103945     -5.610421      2.333878
  C      -7.552253     -3.548872      3.540088
  C      -3.086105     -6.560012      8.803635
  C      -2.725492     -6.732223      7.523453
  C      -3.417672     -7.728068      6.637526
  C      -1.582005     -5.955396      6.921042
  C      -1.950896     -4.707039      6.044088
  C      -0.641685     -3.974008      5.684368
  C      -2.775091     -3.768076      6.913898
  H      -0.901417      1.395047      0.693590
  H      -1.986172      0.158118     -0.176059
  H      -0.967497     -0.137850      3.880544
  H       0.014607      0.935471      2.848655
  H       0.418292     -0.793306      3.010927
  H      -1.411648     -2.432405      2.450473
  H      -1.905239     -2.199121      0.766052
  H      -4.114571      0.006613      1.201449
  H      -5.422288     -1.141409      1.582700
  H      -4.307094     -1.459523      0.227867
  H      -4.620788     -1.041608      3.920427
  H      -2.956467     -1.524289      4.358830
  H      -3.247747     -0.019867      3.453625
  H      -5.955170     -6.302747      6.452381
  H      -6.353153     -5.121536      7.832551
  H      -9.637675     -4.534776      6.918116
  H      -8.793810     -3.243770      6.071457
  H      -8.286910     -3.704451      7.724787
  H      -7.849106     -6.775664      4.828338
  H      -9.158372     -5.601586      4.692044
  H      -8.215378     -6.701937      2.327352
  H      -7.577233     -5.300675      1.420125
  H      -9.116426     -5.186756      2.302296
  H      -8.621821     -3.307805      3.474693
  H      -7.152397     -3.031909      4.413831
  H      -7.056731     -3.141614      2.646758
  H      -3.905342     -7.130303      9.246242
  H      -2.565014     -5.852368      9.451840
  H      -3.825075     -7.220598      5.750723
  H      -2.704807     -8.484694      6.269144
  H      -4.232585     -8.244678      7.160935
  H      -0.949485     -5.562472      7.730493
  H      -0.941020     -6.639482      6.342795
  H       0.094619     -4.629880      5.202371
  H      -0.181394     -3.574998      6.598376
  H      -0.853432     -3.130826      5.009743
  H      -3.766917     -4.178529      7.134977
  H      -2.250510     -3.621742      7.867643
  H      -2.871567     -2.787390      6.430735
  N      -4.886429     -3.223423      5.094466
  N      -5.484695     -2.419954      5.949171
  H      -4.844394     -1.898413      6.555364
  H      -6.238698     -2.886875      6.468013
87
Coordinates from ORCA-job orca E -5476.634749707908
  N      -3.871622     -3.207543      2.338720
  C      -3.903936     -3.927646      1.051097
  C      -3.102927     -5.211481      1.160550
  N      -3.613311     -5.977015      2.321539
  C      -4.770696     -6.833982      1.972313
  C      -5.675910     -6.848379      3.187219
  N      -5.955370     -5.445094      3.523603
  Mo     -4.332229     -4.346555      3.882844
  N      -2.688873     -5.081769      4.775715
  C      -1.776905     -5.838618      3.892261
  C      -2.558496     -6.760983      2.994441
  H      -1.074632     -6.446876      4.480443
  H      -1.157368     -5.148059      3.293228
  H      -3.048023     -7.536822      3.597518
  H      -1.908690     -7.262300      2.256619
  H      -6.592845     -7.410440      2.974652
  H      -5.193076     -7.372349      4.030116
  H      -5.307336     -6.375065      1.131930
  H      -4.430571     -7.837645      1.667706
  H      -3.480045     -3.314523      0.245539
  H      -4.946590     -4.148224      0.761483
  H      -2.049692     -4.959339      1.343668
  H      -3.160369     -5.820274      0.242393
  C      -1.323327      0.396807      0.765863
  C      -1.234929     -0.457012      1.795349
  C      -0.373044     -0.164316      2.993727
  C      -1.948505     -1.791161      1.788840
  C      -3.451800     -1.778963      2.229017
  C      -4.339232     -1.040817      1.212395
  C      -3.590894     -1.051475      3.561770
  C      -6.560260     -5.537516      6.849336
  C      -7.668934     -5.136594      6.204706
  C      -8.606318     -4.120091      6.798303
  C      -8.060472     -5.718214      4.867180
  C      -7.402372     -5.085697      3.600811
  C      -8.144370     -5.644834      2.363568
  C      -7.596801     -3.570763      3.549843
  C      -3.115967     -6.530861      8.773264
  C      -2.724725     -6.711806      7.503103
  C      -3.366848     -7.742176      6.620130
  C      -1.589192     -5.913690      6.912410
  C      -1.971459     -4.670334      6.032962
  C      -0.669248     -3.927773      5.668740
  C      -2.801617     -3.735971      6.901623
  H      -0.802283      1.355597      0.777679
  H      -1.908398      0.163143     -0.125915
  H      -0.934950     -0.252623      3.935685
  H       0.065807      0.840209      2.943115
  H       0.448405     -0.896790      3.057537
  H      -1.429510     -2.484840      2.469301
  H      -1.885473     -2.222652      0.779049
  H      -4.063725      0.021304      1.182239
  H      -5.393038     -1.114560      1.517777
  H      -4.242687     -1.435863      0.192709
  H      -4.639495     -1.017654      3.879655
  H      -2.993062     -1.525234      4.354040
  H      -3.239592     -0.018958      3.438872
  H      -5.904119     -6.301860      6.433199
  H      -6.285728     -5.130974      7.825800
  H      -9.591662     -4.578593      6.986498
  H      -8.788056     -3.279408      6.109440
  H      -8.233502     -3.722522      7.753783
  H      -7.834412     -6.795654      4.849814
  H      -9.151469     -5.627747      4.741489
  H      -8.253068     -6.736290      2.374376
  H      -7.633431     -5.346238      1.437342
  H      -9.157869     -5.224307      2.342380
  H      -8.669907     -3.344489      3.516316
  H      -7.180462     -3.042066      4.406876
  H      -7.136530     -3.161594      2.639312
  H      -3.927869     -7.116742      9.208830
  H      -2.628934     -5.797240      9.418924
  H      -3.789291     -7.257044      5.727471
  H      -2.620275     -8.470330      6.261870
  H      -4.163968     -8.289990      7.139541
  H      -0.973788     -5.508063      7.728910
  H      -0.929497     -6.585671      6.341696
  H       0.066301     -4.578953      5.180233
  H      -0.203145     -3.531501      6.580988
  H      -0.887589     -3.081780      5.000645
  H      -3.791604     -4.151785      7.119422
  H      -2.278864     -3.589860      7.856071
  H      -2.903294     -2.755684      6.420265
  N      -4.918007     -3.211406      5.076080
  N      -5.522237     -2.389821      5.914347
  H      -4.881142     -1.826792      6.482543
  H      -6.240550     -2.866426      6.473103
87
Coordinates from ORCA-job orca E -5476.634837084571
  N      -3.859946     -3.212459      2.347049
  C      -3.893251     -3.932698      1.059459
  C      -3.097257     -5.219516      1.167214
  N      -3.609146     -5.986304      2.326606
  C      -4.770126     -6.838743      1.978847
  C      -5.673405     -6.849169      3.195749
  N      -5.948033     -5.445054      3.532058
  Mo     -4.321109     -4.352762      3.889362
  N      -2.679493     -5.094494      4.779492
  C      -1.770610     -5.852850      3.894755
  C      -2.555350     -6.773286      2.997188
  H      -1.068717     -6.462027      4.482214
  H      -1.150503     -5.163166      3.295000
  H      -3.044821     -7.548566      3.601210
  H      -1.907508     -7.274991      2.257966
  H      -6.592360     -7.409394      2.986939
  H      -5.188581     -7.373118      4.037409
  H      -5.305791     -6.377663      1.139072
  H      -4.434429     -7.843895      1.674072
  H      -3.466223     -3.321481      0.253980
  H      -4.936588     -4.149302      0.768970
  H      -2.043139     -4.972096      1.351092
  H      -3.156975     -5.825325      0.247299
  C      -1.354220      0.405643      0.737298
  C      -1.254775     -0.435344      1.776790
  C      -0.394848     -0.118538      2.970221
  C      -1.953190     -1.777680      1.784839
  C      -3.453929     -1.779966      2.235234
  C      -4.354949     -1.049844      1.225205
  C      -3.589040     -1.054771      3.569907
  C      -6.584406     -5.535619      6.848976
  C      -7.685413     -5.129745      6.195282
  C      -8.624394     -4.110585      6.782259
  C      -8.067223     -5.707888      4.853625
  C      -7.392723     -5.076065      3.595264
  C      -8.126036     -5.624574      2.348236
  C      -7.575681     -3.558491      3.547405
  C      -3.102123     -6.540198      8.785943
  C      -2.723634     -6.719209      7.511754
  C      -3.387192     -7.736212      6.628805
  C      -1.584115     -5.931284      6.915662
  C      -1.959958     -4.686145      6.036508
  C      -0.654310     -3.949456      5.672724
  C      -2.786520     -3.748517      6.905441
  H      -0.844871      1.370924      0.737558
  H      -1.937430      0.154717     -0.151037
  H      -0.956232     -0.195504      3.913809
  H       0.037125      0.888175      2.903405
  H       0.431936     -0.844338      3.044898
  H      -1.422155     -2.460613      2.466984
  H      -1.891092     -2.215062      0.777474
  H      -4.083753      0.012973      1.187545
  H      -5.405056     -1.126979      1.542066
  H      -4.267817     -1.448901      0.206290
  H      -4.635300     -1.030653      3.896452
  H      -2.980152     -1.523206      4.356402
  H      -3.249061     -0.018693      3.444517
  H      -5.927379     -6.302791      6.438624
  H      -6.317294     -5.130635      7.828070
  H      -9.614623     -4.563238      6.956707
  H      -8.793028     -3.265836      6.095287
  H      -8.259983     -3.719369      7.743208
  H      -7.844686     -6.785975      4.837015
  H      -9.156350     -5.612767      4.717178
  H      -8.236067     -6.716122      2.348692
  H      -7.607592     -5.318914      1.428438
  H      -9.138979     -5.202411      2.322937
  H      -8.647219     -3.324925      3.500363
  H      -7.165948     -3.036710      4.412717
  H      -7.099928     -3.149044      2.644764
  H      -3.917709     -7.118562      9.224658
  H      -2.600724     -5.817062      9.432332
  H      -3.804443     -7.243146      5.738326
  H      -2.654711     -8.476881      6.266899
  H      -4.191356     -8.270542      7.151158
  H      -0.961363     -5.530696      7.728934
  H      -0.932840     -6.609188      6.342091
  H       0.080872     -4.604338      5.188118
  H      -0.189837     -3.550825      6.584777
  H      -0.869179     -3.105599      5.000552
  H      -3.775650     -4.164221      7.128388
  H      -2.260966     -3.599545      7.858150
  H      -2.888816     -2.769315      6.421524
  N      -4.903417     -3.217692      5.085331
  N      -5.504558     -2.405535      5.933110
  H      -4.862673     -1.863128      6.519981
  H      -6.239454     -2.878963      6.472775
87
Coordinates from ORCA-job orca E -5476.634868467707
  N      -3.855152     -3.213697      2.353253
  C      -3.892142     -3.934347      1.065987
  C      -3.097551     -5.222108      1.169957
  N      -3.606635     -5.991079      2.328977
  C      -4.768783     -6.843093      1.985185
  C      -5.669001     -6.850861      3.204856
  N      -5.943916     -5.446356      3.539057
  Mo     -4.316389     -4.355255      3.893675
  N      -2.675111     -5.099205      4.781225
  C      -1.766237     -5.854405      3.894413
  C      -2.550129     -6.776275      2.996990
  H      -1.061244     -6.461063      4.480657
  H      -1.149607     -5.162186      3.293811
  H      -3.035523     -7.553337      3.602114
  H      -1.901968     -7.275107      2.256170
  H      -6.587908     -7.413208      3.001526
  H      -5.179337     -7.371871      4.045414
  H      -5.305586     -6.382518      1.145947
  H      -4.434857     -7.849220      1.681412
  H      -3.466707     -3.324348      0.258737
  H      -4.936593     -4.149989      0.778488
  H      -2.042830     -4.976867      1.352550
  H      -3.159846     -5.825104      0.248465
  C      -1.369248      0.410148      0.721140
  C      -1.263168     -0.427667      1.762786
  C      -0.399207     -0.104863      2.951238
  C      -1.957380     -1.772136      1.776242
  C      -3.454705     -1.779851      2.240541
  C      -4.367026     -1.049739      1.241204
  C      -3.577225     -1.058699      3.579027
  C      -6.600222     -5.533337      6.848153
  C      -7.696500     -5.126241      6.188447
  C      -8.637246     -4.104785      6.769578
  C      -8.071930     -5.704736      4.845426
  C      -7.387414     -5.073831      3.591580
  C      -8.113706     -5.617604      2.338549
  C      -7.564911     -3.554204      3.543128
  C      -3.087422     -6.549898      8.794986
  C      -2.720789     -6.723516      7.516688
  C      -3.400984     -7.729093      6.632620
  C      -1.581262     -5.939378      6.915992
  C      -1.956352     -4.692819      6.039252
  C      -0.650756     -3.954322      5.678341
  C      -2.784703     -3.757234      6.908982
  H      -0.863576      1.377571      0.716824
  H      -1.954650      0.154692     -0.164104
  H      -0.957910     -0.175825      3.896876
  H       0.033151      0.901343      2.876871
  H       0.428073     -0.830859      3.027070
  H      -1.418281     -2.453435      2.453809
  H      -1.901847     -2.208493      0.768388
  H      -4.093265      0.012228      1.196877
  H      -5.412843     -1.123741      1.572683
  H      -4.295140     -1.451866      0.222259
  H      -4.620344     -1.035556      3.915443
  H      -2.960665     -1.529102      4.357447
  H      -3.239584     -0.021776      3.453149
  H      -5.942458     -6.303564      6.443322
  H      -6.337571     -5.126606      7.827625
  H      -9.630275     -4.553301      6.936093
  H      -8.798173     -3.258788      6.082649
  H      -8.278106     -3.715898      7.732946
  H      -7.849151     -6.782718      4.830715
  H      -9.160012     -5.608835      4.702043
  H      -8.221483     -6.709465      2.332056
  H      -7.591440     -5.305953      1.422865
  H      -9.127662     -5.197157      2.310927
  H      -8.635807     -3.317371      3.482995
  H      -7.162962     -3.035620      4.414980
  H      -7.075790     -3.144961      2.647043
  H      -3.903812     -7.125377      9.236324
  H      -2.574948     -5.835866      9.442991
  H      -3.814570     -7.229678      5.744021
  H      -2.679492     -8.478878      6.267147
  H      -4.210201     -8.253572      7.157076
  H      -0.952501     -5.542587      7.726420
  H      -0.935578     -6.619291      6.338157
  H       0.087754     -4.607452      5.195755
  H      -0.190472     -3.553616      6.591629
  H      -0.866331     -3.111505      5.004388
  H      -3.773739     -4.174036      7.130383
  H      -2.261089     -3.607956      7.862820
  H      -2.885957     -2.777480      6.425751
  N      -4.898098     -3.218674      5.089872
  N      -5.497212     -2.412346      5.942286
  H      -4.855882     -1.885705      6.543212
  H      -6.246692     -2.879606      6.466997
87
Coordinates from ORCA-job orca E -5476.634872500778
  N      -3.852494     -3.214704      2.354156
  C      -3.888136     -3.935470      1.066737
  C      -3.095565     -5.224275      1.171842
  N      -3.606731     -5.992822      2.330337
  C      -4.769908     -6.843121      1.985805
  C      -5.670665     -6.849840      3.205186
  N      -5.943637     -5.445061      3.539764
  Mo     -4.314929     -4.355854      3.894493
  N      -2.674359     -5.101355      4.782418
  C      -1.766477     -5.858110      3.896036
  C      -2.551479     -6.779302      2.998714
  H      -1.062408     -6.465331      4.482687
  H      -1.148687     -5.166944      3.295183
  H      -3.037869     -7.555587      3.604171
  H      -1.903842     -7.279059      2.258061
  H      -6.590340     -7.410817      3.001474
  H      -5.181776     -7.371730      4.045677
  H      -5.305626     -6.381528      1.146404
  H      -4.437281     -7.849666      1.681958
  H      -3.460378     -3.326006      0.260210
  H      -4.932452     -4.149569      0.777652
  H      -2.040697     -4.980547      1.355647
  H      -3.157719     -5.826976      0.250139
  C      -1.373696      0.408448      0.713381
  C      -1.266772     -0.423250      1.760066
  C      -0.405842     -0.090939      2.948244
  C      -1.956870     -1.769868      1.779027
  C      -3.454706     -1.780073      2.241216
  C      -4.366798     -1.052793      1.239781
  C      -3.580814     -1.058473      3.579067
  C      -6.601880     -5.536744      6.846725
  C      -7.696897     -5.126172      6.187126
  C      -8.635284     -4.103260      6.769320
  C      -8.073478     -5.701843      4.843188
  C      -7.386596     -5.070705      3.590919
  C      -8.111603     -5.611810      2.336041
  C      -7.562576     -3.550800      3.544100
  C      -3.088210     -6.552302      8.795625
  C      -2.721084     -6.725753      7.517481
  C      -3.401191     -7.730992      6.633033
  C      -1.581166     -5.941837      6.917504
  C      -1.954853     -4.695362      6.040148
  C      -0.648328     -3.958863      5.678834
  C      -2.782008     -3.758610      6.909820
  H      -0.871303      1.377628      0.704581
  H      -1.957004      0.146023     -0.171512
  H      -0.965872     -0.158191      3.893630
  H       0.023593      0.916144      2.868798
  H       0.423404     -0.813839      3.029306
  H      -1.416787     -2.446645      2.460427
  H      -1.898714     -2.210544      0.772936
  H      -4.094101      0.009220      1.194278
  H      -5.412802     -1.127592      1.570047
  H      -4.293311     -1.456120      0.221540
  H      -4.624265     -1.038890      3.914653
  H      -2.962947     -1.525955      4.358285
  H      -3.246998     -0.020457      3.452479
  H      -5.945894     -6.308135      6.441518
  H      -6.338613     -5.131795      7.826784
  H      -9.630093     -4.548877      6.933314
  H      -8.792566     -3.255096      6.084169
  H      -8.275915     -3.717815      7.734084
  H      -7.853303     -6.780291      4.826991
  H      -9.161151     -5.603012      4.699209
  H      -8.219577     -6.703660      2.327054
  H      -7.587964     -5.298324      1.421769
  H      -9.125456     -5.191057      2.307974
  H      -8.633385     -3.313410      3.482672
  H      -7.161438     -3.033884      4.417341
  H      -7.071840     -3.140531      2.649369
  H      -3.904812     -7.127789      9.236388
  H      -2.575896     -5.838831      9.444220
  H      -3.815217     -7.231691      5.744756
  H      -2.679603     -8.480573      6.267318
  H      -4.210154     -8.255730      7.157556
  H      -0.953010     -5.545015      7.728300
  H      -0.935081     -6.622000      6.340391
  H       0.089671     -4.613415      5.197383
  H      -0.188119     -3.557370      6.591814
  H      -0.862795     -3.116851      5.003602
  H      -3.770443     -4.175529      7.133402
  H      -2.257159     -3.607818      7.862722
  H      -2.884157     -2.779474      6.425563
  N      -4.895831     -3.219772      5.091455
  N      -5.493798     -2.415724      5.946760
  H      -4.851801     -1.892762      6.550241
  H      -6.245188     -2.882864      6.468883
87
Coordinates from ORCA-job orca E -5476.634876151858
  N      -3.852307     -3.214443      2.354602
  C      -3.887995     -3.935232      1.066908
  C      -3.095841     -5.224201      1.172244
  N      -3.607176     -5.992692      2.330710
  C      -4.770372     -6.842901      1.986195
  C      -5.671359     -6.849168      3.205407
  N      -5.944329     -5.444351      3.539673
  Mo     -4.315458     -4.355413      3.894901
  N      -2.674537     -5.100626      4.782586
  C      -1.766832     -5.857617      3.896310
  C      -2.551888     -6.778967      2.999131
  H      -1.062788     -6.464721      4.483070
  H      -1.149000     -5.166612      3.295237
  H      -3.038087     -7.555170      3.604868
  H      -1.904303     -7.278766      2.258473
  H      -6.591009     -7.410164      3.001693
  H      -5.182432     -7.370934      4.045982
  H      -5.305778     -6.381397      1.146533
  H      -4.437890     -7.849606      1.682737
  H      -3.459958     -3.325812      0.260511
  H      -4.932414     -4.148918      0.778075
  H      -2.040896     -4.980870      1.356043
  H      -3.158240     -5.826750      0.250461
  C      -1.371220      0.404487      0.709121
  C      -1.265846     -0.423719      1.758796
  C      -0.406953     -0.087267      2.947293
  C      -1.955780     -1.770381      1.780596
  C      -3.453888     -1.779716      2.241734
  C      -4.365027     -1.052574      1.239492
  C      -3.580595     -1.057969      3.579456
  C      -6.601197     -5.538750      6.845560
  C      -7.696819     -5.128104      6.187257
  C      -8.635420     -4.106487      6.771488
  C      -8.074118     -5.702273      4.842928
  C      -7.387139     -5.070203      3.591103
  C      -8.112213     -5.610197      2.335715
  C      -7.563174     -3.550163      3.545516
  C      -3.091028     -6.552176      8.793953
  C      -2.721969     -6.725786      7.516380
  C      -3.399818     -7.732269      6.631652
  C      -1.581819     -5.941280      6.917783
  C      -1.954924     -4.694810      6.040300
  C      -0.647995     -3.959072      5.679113
  C      -2.781820     -3.757711      6.909823
  H      -0.869268      1.373850      0.697993
  H      -1.952971      0.138846     -0.175892
  H      -0.968271     -0.152075      3.892148
  H       0.021941      0.919864      2.865441
  H       0.422664     -0.809345      3.031516
  H      -1.416223     -2.445575      2.463969
  H      -1.896974     -2.213397      0.775521
  H      -4.090756      0.008945      1.192928
  H      -5.411187     -1.125605      1.569659
  H      -4.292094     -1.456920      0.221611
  H      -4.624131     -1.039048      3.914954
  H      -2.962341     -1.524791      4.358845
  H      -3.247518     -0.019726      3.452565
  H      -5.944880     -6.309213      6.439160
  H      -6.337516     -5.134690      7.825829
  H      -9.630163     -4.552420      6.934914
  H      -8.792943     -3.257200      6.087811
  H      -8.275887     -3.722595      7.736782
  H      -7.854371     -6.780752      4.825572
  H      -9.161722     -5.602824      4.699270
  H      -8.219532     -6.702133      2.325255
  H      -7.588908     -5.295232      1.421745
  H      -9.126312     -5.190018      2.308386
  H      -8.634035     -3.312872      3.484043
  H      -7.162091     -3.034059      4.419366
  H      -7.072322     -3.139105      2.651234
  H      -3.907705     -7.128311      9.233675
  H      -2.580375     -5.838155      9.443244
  H      -3.814593     -7.234408      5.742968
  H      -2.676750     -8.480778      6.266657
  H      -4.208140     -8.258250      7.155952
  H      -0.954715     -5.544325      7.729330
  H      -0.934748     -6.621015      6.341242
  H       0.089971     -4.614156      5.198273
  H      -0.188089     -3.557217      6.592117
  H      -0.861869     -3.117412      5.003320
  H      -3.770153     -4.174560      7.133958
  H      -2.256734     -3.606259      7.862499
  H      -2.884048     -2.778801      6.425156
  N      -4.896381     -3.219309      5.091824
  N      -5.493368     -2.415773      5.948093
  H      -4.851028     -1.893452      6.551811
  H      -6.245614     -2.881968      6.469693
87
Coordinates from ORCA-job orca E -5476.634885435318
  N      -3.855037     -3.211678      2.354474
  C      -3.891590     -3.932655      1.066003
  C      -3.098793     -5.221035      1.171659
  N      -3.609318     -5.989636      2.330412
  C      -4.771493     -6.841222      1.986233
  C      -5.673420     -6.846857      3.204687
  N      -5.948399     -5.442067      3.537254
  Mo     -4.320527     -4.351847      3.894803
  N      -2.678333     -5.094591      4.782599
  C      -1.769471     -5.850288      3.896524
  C      -2.552793     -6.773428      2.999460
  H      -1.064338     -6.455902      4.483528
  H      -1.152919     -5.158354      3.295105
  H      -3.037388     -7.550252      3.605701
  H      -1.904059     -7.272274      2.259147
  H      -6.592228     -7.409174      3.000860
  H      -5.184151     -7.367444      4.045880
  H      -5.306475     -6.381077      1.145521
  H      -4.438193     -7.848142      1.684413
  H      -3.464753     -3.322810      0.259404
  H      -4.936423     -4.146699      0.779387
  H      -2.043854     -4.977316      1.354867
  H      -3.161443     -5.823560      0.249844
  C      -1.355737      0.389739      0.701161
  C      -1.257256     -0.431416      1.756960
  C      -0.401309     -0.089871      2.946164
  C      -1.951897     -1.775450      1.784199
  C      -3.450680     -1.777787      2.242555
  C      -4.357219     -1.047374      1.238920
  C      -3.577259     -1.056512      3.580421
  C      -6.592955     -5.548044      6.841266
  C      -7.691677     -5.136215      6.189127
  C      -8.627915     -4.116570      6.780630
  C      -8.074945     -5.706300      4.844792
  C      -7.391535     -5.071577      3.592306
  C      -8.118155     -5.611417      2.337596
  C      -7.571095     -3.551723      3.549135
  C      -3.102163     -6.550631      8.786678
  C      -2.724606     -6.724972      7.511657
  C      -3.389894     -7.739345      6.626505
  C      -1.585820     -5.934918      6.918020
  C      -1.959861     -4.688645      6.040847
  C      -0.653287     -3.951708      5.681144
  C      -2.788518     -3.752674      6.909776
  H      -0.850743      1.357421      0.685286
  H      -1.934872      0.119519     -0.184198
  H      -0.965002     -0.149247      3.889874
  H       0.029161      0.916254      2.860397
  H       0.427191     -0.812516      3.035690
  H      -1.416046     -2.449505      2.471553
  H      -1.893397     -2.223349      0.781299
  H      -4.075999      0.012068      1.190647
  H      -5.403900     -1.113147      1.568568
  H      -4.286908     -1.453378      0.221668
  H      -4.621107     -1.036037      3.914864
  H      -2.960221     -1.524465      4.360135
  H      -3.242513     -0.018774      3.454052
  H      -5.937793     -6.316872      6.430108
  H      -6.324836     -5.146340      7.821273
  H      -9.622520     -4.562210      6.945583
  H      -8.787264     -3.264555      6.100726
  H      -8.264709     -3.736655      7.746109
  H      -7.856360     -6.784937      4.823475
  H      -9.162837     -5.605222      4.705088
  H      -8.221623     -6.703715      2.324770
  H      -7.598016     -5.292690      1.423135
  H      -9.133749     -5.194793      2.313591
  H      -8.642541     -3.316961      3.489080
  H      -7.169997     -3.036312      4.423370
  H      -7.082231     -3.138191      2.654969
  H      -3.917523     -7.131268      9.222865
  H      -2.600387     -5.831849      9.437683
  H      -3.808721     -7.248910      5.735545
  H      -2.658399     -8.481413      6.265186
  H      -4.194151     -8.272638      7.149835
  H      -0.963320     -5.536390      7.732375
  H      -0.933684     -6.611184      6.343070
  H       0.085823     -4.605828      5.200663
  H      -0.194900     -3.549700      6.594891
  H      -0.867245     -3.110037      5.005472
  H      -3.776440     -4.170489      7.133417
  H      -2.264306     -3.599596      7.862616
  H      -2.891483     -2.774022      6.424796
  N      -4.903213     -3.215878      5.091121
  N      -5.498742     -2.412689      5.948358
  H      -4.856102     -1.888578      6.550081
  H      -6.250989     -2.877189      6.471132
87
Coordinates from ORCA-job orca E -5476.634889605127
  N      -3.858969     -3.208966      2.352823
  C      -3.896589     -3.930264      1.064088
  C      -3.101866     -5.217373      1.169872
  N      -3.610942     -5.986004      2.329156
  C      -4.771928     -6.839367      1.985530
  C      -5.674185     -6.845213      3.203612
  N      -5.951655     -5.440560      3.534890
  Mo     -4.325160     -4.348321      3.893652
  N      -2.681989     -5.088694      4.781830
  C      -1.771719     -5.842800      3.895766
  C      -2.553121     -6.767525      2.998625
  H      -1.065501     -6.447164      4.482785
  H      -1.156514     -5.149674      3.294410
  H      -3.036306     -7.545253      3.604747
  H      -1.903135     -7.265206      2.258613
  H      -6.592002     -7.409218      2.999904
  H      -5.184401     -7.364502      4.045350
  H      -5.307251     -6.380662      1.144247
  H      -4.437356     -7.846174      1.684744
  H      -3.471900     -3.319856      0.256839
  H      -4.941682     -4.145668      0.779682
  H      -2.047226     -4.971934      1.352493
  H      -3.163950     -5.820490      0.248384
  C      -1.340349      0.379497      0.701161
  C      -1.248411     -0.440533      1.758359
  C      -0.393950     -0.101536      2.949293
  C      -1.949209     -1.781272      1.785665
  C      -3.448511     -1.776412      2.241596
  C      -4.350494     -1.042126      1.236789
  C      -3.574358     -1.055135      3.579547
  C      -6.584298     -5.553462      6.838974
  C      -7.686449     -5.142608      6.192094
  C      -8.622289     -4.125897      6.789410
  C      -8.073957     -5.711015      4.848310
  C      -7.395459     -5.073988      3.594200
  C      -8.124040     -5.615209      2.341247
  C      -7.578884     -3.554619      3.552104
  C      -3.111531     -6.547332      8.779941
  C      -2.726667     -6.722929      7.507256
  C      -3.381382     -7.744093      6.622040
  C      -1.589039     -5.928287      6.917309
  C      -1.964779     -4.682274      6.040566
  C      -0.659140     -3.942914      5.682077
  C      -2.795404     -3.747888      6.909190
  H      -0.830838      1.344752      0.685122
  H      -1.918436      0.110593     -0.185189
  H      -0.959680     -0.159000      3.891826
  H       0.039952      0.903173      2.864186
  H       0.432142     -0.826921      3.040556
  H      -1.417553     -2.457247      2.474446
  H      -1.891385     -2.230501      0.783378
  H      -4.064510      0.016164      1.188767
  H      -5.397887     -1.103215      1.565066
  H      -4.280801     -1.448349      0.219538
  H      -4.618675     -1.030549      3.912248
  H      -2.960426     -1.525724      4.360078
  H      -3.235289     -0.018644      3.454077
  H      -5.929327     -6.320264      6.423740
  H      -6.312762     -5.152982      7.818480
  H      -9.615282     -4.573739      6.957883
  H      -8.786335     -3.273008      6.111727
  H      -8.255862     -3.746987      7.754025
  H      -7.854520     -6.789406      4.824630
  H      -9.162442     -5.610829      4.712529
  H      -8.224699     -6.707701      2.328267
  H      -7.606940     -5.294907      1.425646
  H      -9.140730     -5.201221      2.319950
  H      -8.651052     -3.322282      3.494609
  H      -7.176863     -3.038741      4.425604
  H      -7.093055     -3.139578      2.656900
  H      -3.925897     -7.131331      9.213543
  H      -2.617067     -5.824095      9.431616
  H      -3.803083     -7.259321      5.729200
  H      -2.642870     -8.480535      6.263588
  H      -4.182292     -8.283509      7.144317
  H      -0.970101     -5.528375      7.733726
  H      -0.932889     -6.601590      6.343492
  H       0.080994     -4.595206      5.200753
  H      -0.201521     -3.541592      6.596508
  H      -0.874150     -3.100493      5.007635
  H      -3.783313     -4.166540      7.131503
  H      -2.272267     -3.594371      7.862586
  H      -2.898828     -2.769173      6.424421
  N      -4.909517     -3.212013      5.088775
  N      -5.504958     -2.407430      5.944902
  H      -4.862293     -1.878769      6.542505
  H      -6.254542     -2.871610      6.471520
87
Coordinates from ORCA-job orca E -5476.634892052290
  N      -3.861794     -3.207139      2.351498
  C      -3.900320     -3.928637      1.062743
  C      -3.103596     -5.214513      1.168247
  N      -3.611337     -5.983438      2.327837
  C      -4.771485     -6.838162      1.984746
  C      -5.673668     -6.844484      3.202813
  N      -5.953162     -5.439960      3.533286
  Mo     -4.327865     -4.346040      3.892706
  N      -2.684401     -5.085192      4.781314
  C      -1.772787     -5.837638      3.895130
  C      -2.552494     -6.763368      2.997523
  H      -1.065705     -6.441127      4.482091
  H      -1.158669     -5.143265      3.294161
  H      -3.034670     -7.542088      3.603125
  H      -1.901343     -7.259890      2.257722
  H      -6.590706     -7.409916      2.999463
  H      -5.183276     -7.362679      4.044870
  H      -5.307404     -6.380528      1.143268
  H      -4.435911     -7.844786      1.684428
  H      -3.477840     -3.317651      0.254792
  H      -4.945557     -4.145601      0.780119
  H      -2.049305     -4.967242      1.350532
  H      -3.164879     -5.818059      0.246964
  C      -1.332409      0.375538      0.703530
  C      -1.243297     -0.446263      1.759434
  C      -0.387562     -0.112167      2.950821
  C      -1.948539     -1.784628      1.784979
  C      -3.447727     -1.775521      2.240753
  C      -4.347853     -1.038293      1.236451
  C      -3.572031     -1.054792      3.579155
  C      -6.578702     -5.556018      6.838491
  C      -7.682364     -5.145284      6.193938
  C      -8.617008     -4.128711      6.793164
  C      -8.072505     -5.713864      4.850975
  C      -7.397628     -5.076160      3.595285
  C      -8.127415     -5.619427      2.344014
  C      -7.583910     -3.557251      3.552799
  C      -3.117224     -6.545113      8.776285
  C      -2.728192     -6.721934      7.505034
  C      -3.376645     -7.747543      6.620298
  C      -1.591427     -5.924597      6.916749
  C      -1.968469     -4.678542      6.040614
  C      -0.663597     -3.937056      5.683310
  C      -2.800789     -3.745535      6.909061
  H      -0.819330      1.338899      0.688814
  H      -1.911584      0.110016     -0.183052
  H      -0.953307     -0.169322      3.893230
  H       0.049684      0.891212      2.867355
  H       0.436199     -0.840386      3.040913
  H      -1.419009     -2.463174      2.472906
  H      -1.892226     -2.232991      0.782314
  H      -4.060016      0.019546      1.189510
  H      -5.395393     -1.097746      1.564418
  H      -4.278636     -1.443620      0.218856
  H      -4.616423     -1.027171      3.911293
  H      -2.959983     -1.527809      4.359677
  H      -3.229748     -0.019217      3.454677
  H      -5.924818     -6.322902      6.421813
  H      -6.304841     -5.155565      7.817346
  H      -9.609448     -4.576893      6.964122
  H      -8.783139     -3.275943      6.115834
  H      -8.248425     -3.749661      7.756917
  H      -7.852228     -6.792091      4.826705
  H      -9.161448     -5.614715      4.717746
  H      -8.226167     -6.712062      2.331976
  H      -7.612401     -5.298885      1.427322
  H      -9.144879     -5.207223      2.324189
  H      -8.656529     -3.326678      3.496739
  H      -7.181567     -3.040287      4.425383
  H      -7.099967     -3.141747      2.656703
  H      -3.930960     -7.130862      9.208790
  H      -2.626896     -5.818887      9.427782
  H      -3.799797     -7.266482      5.726027
  H      -2.633987     -8.480798      6.263948
  H      -4.175609     -8.290275      7.142144
  H      -0.974078     -5.524113      7.734099
  H      -0.933397     -6.596210      6.343138
  H       0.077319     -4.587773      5.201139
  H      -0.206483     -3.536524      6.598324
  H      -0.879512     -3.093865      5.010066
  H      -3.788943     -4.164576      7.129330
  H      -2.279062     -3.592686      7.863280
  H      -2.903899     -2.766491      6.424992
  N      -4.913481     -3.209537      5.087000
  N      -5.509647     -2.403876      5.941774
  H      -4.867360     -1.871653      6.536490
  H      -6.256910     -2.868399      6.471296
87
Coordinates from ORCA-job orca E -5476.634893551595
  N      -3.862660     -3.206617      2.350741
  C      -3.901568     -3.928313      1.062172
  C      -3.103702     -5.213500      1.167605
  N      -3.610916     -5.982516      2.327287
  C      -4.770963     -6.837531      1.984504
  C      -5.672848     -6.844052      3.202746
  N      -5.952979     -5.439550      3.533047
  Mo     -4.328114     -4.345108      3.892394
  N      -2.684977     -5.084487      4.781284
  C      -1.772828     -5.836306      3.895047
  C      -2.551862     -6.762137      2.997007
  H      -1.065607     -6.439696      4.481964
  H      -1.158951     -5.141453      3.294460
  H      -3.033853     -7.541395      3.602023
  H      -1.900179     -7.258130      2.257311
  H      -6.589675     -7.410006      2.999794
  H      -5.182130     -7.361769      4.044888
  H      -5.307273     -6.380229      1.143105
  H      -4.435191     -7.844090      1.684163
  H      -3.480299     -3.317089      0.253763
  H      -4.946814     -4.146231      0.780282
  H      -2.049703     -4.965007      1.350017
  H      -3.164167     -5.817385      0.246487
  C      -1.331128      0.375538      0.704575
  C      -1.242361     -0.447611      1.759416
  C      -0.385845     -0.115874      2.950873
  C      -1.948835     -1.785338      1.783975
  C      -3.447871     -1.775283      2.239889
  C      -4.347808     -1.037366      1.235860
  C      -3.571660     -1.054555      3.578390
  C      -6.576640     -5.556344      6.838774
  C      -7.680699     -5.145619      6.194769
  C      -8.615125     -4.129164      6.794442
  C      -8.071295     -5.714493      4.852047
  C      -7.397734     -5.076512      3.595846
  C      -8.127700     -5.620490      2.345084
  C      -7.584747     -3.557779      3.553236
  C      -3.120814     -6.543872      8.774734
  C      -2.729640     -6.722010      7.504326
  C      -3.375684     -7.749593      6.620050
  C      -1.592625     -5.924266      6.916730
  C      -1.969678     -4.677965      6.040896
  C      -0.664903     -3.935830      5.684257
  C      -2.802495     -3.745359      6.909298
  H      -0.816846      1.338260      0.690718
  H      -1.911150      0.111847     -0.181959
  H      -0.951618     -0.172331      3.893267
  H       0.053303      0.886697      2.867830
  H       0.436578     -0.845658      3.040807
  H      -1.419705     -2.464854      2.471299
  H      -1.892968     -2.233122      0.781056
  H      -4.060636      0.020768      1.189807
  H      -5.395405     -1.097667      1.563584
  H      -4.277932     -1.441989      0.217990
  H      -4.616074     -1.025651      3.910300
  H      -2.960460     -1.528468      4.358995
  H      -3.228090     -0.019341      3.454261
  H      -5.923171     -6.323348      6.421589
  H      -6.302107     -5.155988      7.817473
  H      -9.607221     -4.577748      6.966354
  H      -8.782258     -3.276499      6.117257
  H      -8.245976     -3.749959      7.757905
  H      -7.850456     -6.792618      4.827830
  H      -9.160436     -5.616105      4.719565
  H      -8.225824     -6.713160      2.333444
  H      -7.613232     -5.299926      1.428105
  H      -9.145405     -5.208849      2.325564
  H      -8.657467     -3.327515      3.497559
  H      -7.182317     -3.040471      4.425560
  H      -7.101197     -3.142192      2.656911
  H      -3.934766     -7.129666      9.206824
  H      -2.631947     -5.816301      9.425814
  H      -3.799029     -7.270130      5.724938
  H      -2.631450     -8.481800      6.264882
  H      -4.174106     -8.293248      7.141734
  H      -0.975630     -5.523959      7.734426
  H      -0.934312     -6.595589      6.343155
  H       0.076144     -4.586089      5.201737
  H      -0.207842     -3.535843      6.599511
  H      -0.880971     -3.092209      5.011559
  H      -3.790999     -4.164330      7.128361
  H      -2.281430     -3.593425      7.864038
  H      -2.905060     -2.766026      6.425689
  N      -4.914069     -3.208433      5.086273
  N      -5.510679     -2.402442      5.940619
  H      -4.868506     -1.868661      6.534071
  H      -6.256531     -2.867576      6.471588
87
Coordinates from ORCA-job orca E -5476.634895890582
  N      -3.862277     -3.206433      2.350531
  C      -3.901438     -3.928267      1.062180
  C      -3.102453     -5.212789      1.167485
  N      -3.609418     -5.982021      2.327032
  C      -4.769722     -6.836803      1.984490
  C      -5.671133     -6.843478      3.203053
  N      -5.951505     -5.438991      3.533478
  Mo     -4.326860     -4.344482      3.892718
  N      -2.684668     -5.085232      4.781925
  C      -1.772036     -5.836523      3.895705
  C      -2.550504     -6.761877      2.996728
  H      -1.065089     -6.440214      4.482660
  H      -1.157938     -5.141289      3.295820
  H      -3.032654     -7.541787      3.600764
  H      -1.898276     -7.257292      2.257114
  H      -6.587917     -7.409708      3.000638
  H      -5.180012     -7.360843      4.045142
  H      -5.306389     -6.379511      1.143321
  H      -4.434167     -7.843358      1.683847
  H      -3.481442     -3.316768      0.253307
  H      -4.946661     -4.147225      0.780937
  H      -2.048818     -4.963027      1.350409
  H      -3.161808     -5.816877      0.246427
  C      -1.334703      0.377618      0.702637
  C      -1.243916     -0.446113      1.756826
  C      -0.385731     -0.114691      2.947163
  C      -1.949831     -1.784160      1.781974
  C      -3.448341     -1.774953      2.239277
  C      -4.349799     -1.037416      1.236261
  C      -3.571183     -1.054315      3.577980
  C      -6.575683     -5.555814      6.839761
  C      -7.679339     -5.144587      6.195255
  C      -8.613421     -4.127553      6.794302
  C      -8.069598     -5.713970      4.852605
  C      -7.396503     -5.076052      3.596250
  C      -8.126234     -5.620401      2.345619
  C      -7.583570     -3.557418      3.553405
  C      -3.126572     -6.543642      8.773439
  C      -2.732807     -6.723728      7.504112
  C      -3.376799     -7.753165      6.620432
  C      -1.594613     -5.926635      6.917546
  C      -1.970281     -4.679540      6.042193
  C      -0.664873     -3.937762      5.686912
  C      -2.803226     -3.746862      6.910454
  H      -0.820491      1.340366      0.688478
  H      -1.916356      0.114514     -0.183001
  H      -0.950887     -0.168610      3.890049
  H       0.055280      0.886881      2.862451
  H       0.435346     -0.845807      3.037808
  H      -1.419559     -2.463454      2.468660
  H      -1.894622     -2.231950      0.779015
  H      -4.064950      0.021403      1.191163
  H      -5.397125     -1.100247      1.564457
  H      -4.279259     -1.441044      0.218029
  H      -4.615346     -1.025313      3.910662
  H      -2.959558     -1.528432      4.358171
  H      -3.227624     -0.019079      3.453870
  H      -5.922832     -6.323483      6.422805
  H      -6.300990     -5.155491      7.818424
  H      -9.605719     -4.575825      6.966025
  H      -8.780196     -3.274778      6.117194
  H      -8.244468     -3.748586      7.757949
  H      -7.848323     -6.792041      4.828867
  H      -9.158837     -5.616241      4.720160
  H      -8.224019     -6.713092      2.334193
  H      -7.611903     -5.299812      1.428576
  H      -9.144070     -5.209037      2.326044
  H      -8.656254     -3.327016      3.497478
  H      -7.181408     -3.039886      4.425699
  H      -7.099653     -3.141922      2.657192
  H      -3.941382     -7.128700      9.204927
  H      -2.638786     -5.814976      9.424072
  H      -3.799643     -7.275638      5.724019
  H      -2.631327     -8.485029      6.267189
  H      -4.175270     -8.296854      7.141947
  H      -0.977613     -5.527356      7.735714
  H      -0.936744     -6.598310      6.343917
  H       0.076109     -4.588258      5.204634
  H      -0.208086     -3.538415      6.602557
  H      -0.880115     -3.093767      5.014398
  H      -3.792533     -4.165082      7.127509
  H      -2.283256     -3.596832      7.866086
  H      -2.904089     -2.766979      6.427605
  N      -4.912851     -3.207588      5.086250
  N      -5.509726     -2.401731      5.940648
  H      -4.867666     -1.867159      6.533567
  H      -6.254785     -2.867380      6.472272
87
Coordinates from ORCA-job orca E -5476.634897504618
  N      -3.861332     -3.206668      2.350705
  C      -3.900365     -3.928614      1.062526
  C      -3.101072     -5.212958      1.167935
  N      -3.608183     -5.982216      2.327340
  C      -4.768937     -6.836404      1.984886
  C      -5.670010     -6.842988      3.203698
  N      -5.949892     -5.438497      3.534525
  Mo     -4.325065     -4.344389      3.893389
  N      -2.683659     -5.086507      4.782593
  C      -1.771065     -5.837950      3.896490
  C      -2.549629     -6.762649      2.996927
  H      -1.064632     -6.442118      4.483547
  H      -1.156401     -5.142879      3.296987
  H      -3.032117     -7.542757      3.600431
  H      -1.897355     -7.257944      2.257276
  H      -6.587025     -7.408947      3.001576
  H      -5.178712     -7.360479      4.045588
  H      -5.305669     -6.378783      1.143938
  H      -4.433903     -7.843038      1.683909
  H      -3.480743     -3.317096      0.253482
  H      -4.945539     -4.147975      0.781362
  H      -2.047610     -4.962781      1.351325
  H      -3.159860     -5.817102      0.246886
  C      -1.339284      0.379486      0.699401
  C      -1.246346     -0.443504      1.754033
  C      -0.387570     -0.110066      2.943349
  C      -1.950573     -1.782457      1.780816
  C      -3.448821     -1.774805      2.238937
  C      -4.351716     -1.038473      1.236274
  C      -3.571458     -1.053884      3.577539
  C      -6.576021     -5.555423      6.840409
  C      -7.679208     -5.143789      6.195377
  C      -8.613497     -4.126797      6.794197
  C      -8.068712     -5.712901      4.852348
  C      -7.394840     -5.074854      3.596545
  C      -8.124029     -5.618442      2.345286
  C      -7.581121     -3.556122      3.554147
  C      -3.131817     -6.543511      8.772368
  C      -2.735776     -6.725304      7.503992
  C      -3.378405     -7.755994      6.620736
  C      -1.596119     -5.929322      6.918591
  C      -1.969738     -4.681570      6.043286
  C      -0.663314     -3.941141      5.688917
  C      -2.802194     -3.748107      6.911221
  H      -0.826218      1.342837      0.684118
  H      -1.921614      0.115245     -0.185469
  H      -0.952591     -0.161141      3.886493
  H       0.054183      0.890937      2.856159
  H       0.432914     -0.841552      3.035764
  H      -1.419027     -2.460442      2.467803
  H      -1.895247     -2.231090      0.778214
  H      -4.068875      0.020918      1.191515
  H      -5.398879     -1.103406      1.564731
  H      -4.280473     -1.441715      0.217901
  H      -4.615436     -1.025726      3.910925
  H      -2.958967     -1.527280      4.357515
  H      -3.228890     -0.018379      3.452972
  H      -5.923102     -6.323095      6.423481
  H      -6.301752     -5.155512      7.819358
  H      -9.605987     -4.574986      6.965010
  H      -8.779657     -3.273582      6.117510
  H      -8.245194     -3.748469      7.758335
  H      -7.847537     -6.791004      4.828683
  H      -9.157873     -5.615091      4.719318
  H      -8.221880     -6.711136      2.333171
  H      -7.609289     -5.297329      1.428653
  H      -9.141817     -5.206979      2.325468
  H      -8.653637     -3.325160      3.497593
  H      -7.179334     -3.039026      4.426915
  H      -7.096375     -3.140521      2.658473
  H      -3.947604     -7.127694      9.203145
  H      -2.644805     -5.814233      9.422876
  H      -3.800721     -7.280173      5.723160
  H      -2.632194     -8.487961      6.269291
  H      -4.177170     -8.299312      7.142163
  H      -0.979220     -5.531030      7.737298
  H      -0.938699     -6.601652      6.345243
  H       0.077362     -4.592530      5.207346
  H      -0.206750     -3.542029      6.604770
  H      -0.877243     -3.097128      5.016014
  H      -3.792086     -4.165553      7.127529
  H      -2.282602     -3.599026      7.867257
  H      -2.901771     -2.768009      6.428410
  N      -4.910752     -3.207371      5.086900
  N      -5.507494     -2.402274      5.942083
  H      -4.865385     -1.868308      6.535585
  H      -6.252776     -2.868302      6.473073
87
Coordinates from ORCA-job orca E -5476.634898481145
  N      -3.860108     -3.206852      2.351126
  C      -3.898801     -3.928779      1.063027
  C      -3.099628     -5.213201      1.168561
  N      -3.607074     -5.982453      2.327803
  C      -4.768146     -6.836108      1.985252
  C      -5.669056     -6.842723      3.204205
  N      -5.948391     -5.438292      3.535571
  Mo     -4.323370     -4.344466      3.894095
  N      -2.682607     -5.087727      4.783252
  C      -1.770088     -5.839420      3.897370
  C      -2.548877     -6.763449      2.997280
  H      -1.064249     -6.444081      4.484611
  H      -1.154726     -5.144635      3.298210
  H      -3.031680     -7.543588      3.600504
  H      -1.896722     -7.258720      2.257517
  H      -6.586291     -7.408273      3.002059
  H      -5.177671     -7.360594      4.045798
  H      -5.304806     -6.378020      1.144508
  H      -4.433545     -7.842780      1.683920
  H      -3.479038     -3.317316      0.254028
  H      -4.943908     -4.148192      0.781630
  H      -2.046188     -4.963200      1.352302
  H      -3.158311     -5.817227      0.247431
  C      -1.344073      0.381168      0.695591
  C      -1.248778     -0.440538      1.751085
  C      -0.389468     -0.104212      2.939180
  C      -1.951017     -1.780541      1.780002
  C      -3.449070     -1.774557      2.238954
  C      -4.353393     -1.039553      1.236576
  C      -3.571471     -1.053370      3.577418
  C      -6.576288     -5.554258      6.841302
  C      -7.679070     -5.142714      6.195620
  C      -8.613741     -4.125704      6.793875
  C      -8.067907     -5.711894      4.852406
  C      -7.393230     -5.074021      3.596960
  C      -8.122271     -5.617106      2.345354
  C      -7.578952     -3.555196      3.554632
  C      -3.136895     -6.544599      8.771130
  C      -2.738770     -6.727288      7.503522
  C      -3.380097     -7.758771      6.620220
  C      -1.597749     -5.932138      6.919669
  C      -1.969165     -4.683677      6.044493
  C      -0.661621     -3.944786      5.691204
  C      -2.801134     -3.749471      6.912122
  H      -0.832548      1.345327      0.678729
  H      -1.926861      0.115085     -0.188456
  H      -0.954204     -0.152609      3.882674
  H       0.052409      0.896471      2.849249
  H       0.430835     -0.835600      3.033259
  H      -1.418188     -2.456868      2.467598
  H      -1.895474     -2.230295      0.777883
  H      -4.071931      0.020190      1.191751
  H      -5.400358     -1.105888      1.565431
  H      -4.281965     -1.442701      0.218166
  H      -4.615216     -1.026351      3.911657
  H      -2.957783     -1.525818      4.357081
  H      -3.230211     -0.017535      3.452198
  H      -5.922972     -6.321824      6.424837
  H      -6.302659     -5.154279      7.820404
  H      -9.606496     -4.573702      6.963653
  H      -8.779033     -3.272297      6.117215
  H      -8.246203     -3.747647      7.758415
  H      -7.846798     -6.790008      4.828960
  H      -9.156960     -5.613940      4.718788
  H      -8.220646     -6.709760      2.332990
  H      -7.607188     -5.296042      1.428899
  H      -9.139856     -5.205178      2.325309
  H      -8.651399     -3.323992      3.497851
  H      -7.177266     -3.038255      4.427558
  H      -7.093927     -3.139660      2.659122
  H      -3.953532     -7.128294      9.200896
  H      -2.650757     -5.815124      9.422067
  H      -3.801818     -7.284489      5.721561
  H      -2.633264     -8.490948      6.270524
  H      -4.179299     -8.301745      7.141353
  H      -0.981266     -5.534792      7.739149
  H      -0.940441     -6.604903      6.346688
  H       0.078905     -4.597105      5.210585
  H      -0.205581     -3.545774      6.607374
  H      -0.874036     -3.100834      5.017754
  H      -3.791596     -4.165991      7.127668
  H      -2.282037     -3.601301      7.868588
  H      -2.899222     -2.769109      6.429473
  N      -4.908693     -3.207217      5.087566
  N      -5.504996     -2.402470      5.943257
  H      -4.862768     -1.869243      6.537322
  H      -6.251057     -2.868154      6.473422
87
Coordinates from ORCA-job orca E -5476.634899496525
  N      -3.859457     -3.207046      2.351237
  C      -3.897708     -3.929020      1.063255
  C      -3.098910     -5.213666      1.169001
  N      -3.606628     -5.982774      2.328241
  C      -4.767867     -6.836116      1.985584
  C      -5.668718     -6.842779      3.204613
  N      -5.947444     -5.438418      3.536534
  Mo     -4.322225     -4.344687      3.894432
  N      -2.681696     -5.088390      4.783388
  C      -1.769385     -5.840525      3.897751
  C      -2.548608     -6.764153      2.997560
  H      -1.063995     -6.445524      4.485168
  H      -1.153462     -5.146141      3.298663
  H      -3.031582     -7.544094      3.600907
  H      -1.896792     -7.259592      2.257621
  H      -6.586186     -7.407849      3.002276
  H      -5.177377     -7.361195      4.045889
  H      -5.304438     -6.377612      1.145005
  H      -4.433516     -7.842785      1.683987
  H      -3.477406     -3.317763      0.254390
  H      -4.942736     -4.148237      0.781378
  H      -2.045361     -4.964194      1.352773
  H      -3.157917     -5.817616      0.247845
  C      -1.346796      0.382442      0.694126
  C      -1.250278     -0.438716      1.749992
  C      -0.391031     -0.100776      2.937651
  C      -1.951217     -1.779399      1.779766
  C      -3.449358     -1.774502      2.238787
  C      -4.354252     -1.040470      1.236188
  C      -3.571996     -1.052913      3.576971
  C      -6.576362     -5.553304      6.841955
  C      -7.679071     -5.142161      6.195979
  C      -8.614230     -4.125376      6.793999
  C      -8.067536     -5.711272      4.852614
  C      -7.392100     -5.073524      3.597462
  C      -8.121133     -5.616077      2.345551
  C      -7.577358     -3.554587      3.555305
  C      -3.140561     -6.544814      8.769828
  C      -2.740772     -6.728130      7.502828
  C      -3.380920     -7.760348      6.619498
  C      -1.598783     -5.933489      6.920265
  C      -1.968463     -4.684700      6.044892
  C      -0.660053     -3.947183      5.692092
  C      -2.799918     -3.749625      6.912061
  H      -0.836385      1.347192      0.676649
  H      -1.929456      0.115321     -0.189695
  H      -0.955799     -0.148224      3.881194
  H       0.050556      0.899916      2.846597
  H       0.429379     -0.831923      3.032501
  H      -1.417897     -2.454758      2.467903
  H      -1.895167     -2.229674      0.777904
  H      -4.073300      0.019394      1.191169
  H      -5.401211     -1.107299      1.564991
  H      -4.282630     -1.443746      0.217834
  H      -4.615681     -1.026697      3.911490
  H      -2.957655     -1.524504      4.356642
  H      -3.231647     -0.016875      3.451134
  H      -5.922391     -6.320472      6.425780
  H      -6.303336     -5.153187      7.821177
  H      -9.606995     -4.573481      6.963306
  H      -8.779222     -3.272043      6.117147
  H      -8.247100     -3.747147      7.758622
  H      -7.846619     -6.789423      4.829176
  H      -9.156481     -5.612966      4.718564
  H      -8.220195     -6.708685      2.332987
  H      -7.605654     -5.295175      1.429252
  H      -9.138464     -5.203551      2.325291
  H      -8.649759     -3.323274      3.498582
  H      -7.175575     -3.037834      4.428314
  H      -7.092415     -3.139054      2.659818
  H      -3.957786     -7.128285      9.198735
  H      -2.655343     -5.815130      9.421229
  H      -3.802368     -7.287484      5.719964
  H      -2.633521     -8.492639      6.271245
  H      -4.180357     -8.303187      7.140442
  H      -0.982903     -5.536589      7.740421
  H      -0.941247     -6.606511      6.347837
  H       0.080289     -4.600246      5.212163
  H      -0.204325     -3.548163      6.608430
  H      -0.871340     -3.103318      5.018186
  H      -3.790565     -4.165572      7.127949
  H      -2.280728     -3.601229      7.868476
  H      -2.897425     -2.769370      6.428979
  N      -4.907177     -3.207290      5.088015
  N      -5.503302     -2.402846      5.944013
  H      -4.861013     -1.870415      6.538728
  H      -6.249985     -2.868447      6.473393
