88
Coordinates from ORCA-job orca E -5477.057327600928
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  N      -5.331184     -2.366214      6.236091
  H      -5.707427     -2.817543      7.058538
  H      -4.600676     -1.723093      6.508910
  H      -6.066991     -1.859623      5.763196
88
Coordinates from ORCA-job orca E -5477.089703750843
  N      -3.921557     -3.405711      2.654219
  C      -3.918253     -3.996201      1.321139
  C      -3.136648     -5.292612      1.331138
  N      -3.596833     -6.098914      2.461737
  C      -4.824267     -6.850056      2.140741
  C      -5.697845     -6.934807      3.402555
  N      -5.921346     -5.608844      3.944655
  Mo     -4.022593     -4.767962      4.128972
  N      -2.066602     -5.186695      4.496316
  C      -1.478449     -6.244076      3.688063
  C      -2.548868     -7.012790      2.924454
  H      -0.935592     -6.983322      4.301909
  H      -0.736021     -5.833382      2.976254
  H      -3.015581     -7.738344      3.600279
  H      -2.102905     -7.569009      2.082197
  H      -6.627126     -7.468854      3.150620
  H      -5.182275     -7.567148      4.145611
  H      -5.378076     -6.302705      1.374127
  H      -4.584099     -7.850816      1.747281
  H      -3.455004     -3.345192      0.568756
  H      -4.953963     -4.182604      0.983110
  H      -2.083196     -5.043981      1.497660
  H      -3.231180     -5.842431      0.381083
  C      -1.723473      0.397295      1.083153
  C      -1.578513     -0.405737      2.139399
  C      -0.789099      0.026598      3.344923
  C      -2.131906     -1.807000      2.166489
  C      -3.653782     -1.955794      2.522947
  C      -4.552489     -1.312228      1.445721
  C      -3.915984     -1.163372      3.798421
  C      -7.379712     -5.786019      6.855479
  C      -8.313017     -5.333969      6.013852
  C      -9.399185     -4.396071      6.461702
  C      -8.343632     -5.754379      4.569801
  C      -7.251769     -5.071263      3.661365
  C      -7.702185     -5.285264      2.192178
  C      -7.290969     -3.550398      3.870851
  C      -3.257233     -5.446677      8.434188
  C      -2.825567     -5.994351      7.293492
  C      -3.741994     -6.765578      6.396667
  C      -1.409120     -5.859405      6.821767
  C      -1.227584     -4.836592      5.638748
  C       0.279440     -4.801847      5.293115
  C      -1.575300     -3.433255      6.150093
  H      -1.318887      1.404542      1.070591
  H      -2.249456      0.084757      0.187288
  H      -1.356784     -0.126572      4.267186
  H      -0.505132      1.079686      3.274407
  H       0.126783     -0.572111      3.419176
  H      -1.595471     -2.408551      2.910769
  H      -1.971686     -2.265582      1.183531
  H      -4.452611     -0.226211      1.487780
  H      -5.597985     -1.572766      1.634954
  H      -4.296524     -1.634176      0.433786
  H      -4.979137     -1.190327      4.033071
  H      -3.344885     -1.586200      4.619842
  H      -3.625268     -0.121049      3.640125
  H      -6.636371     -6.502021      6.525957
  H      -7.344739     -5.483569      7.898217
  H     -10.359887     -4.924863      6.465916
  H      -9.498293     -3.548295      5.776439
  H      -9.211205     -4.021174      7.471449
  H      -8.194693     -6.839019      4.500562
  H      -9.326102     -5.521660      4.146211
  H      -7.756110     -6.341294      1.915753
  H      -7.012153     -4.774311      1.515016
  H      -8.696208     -4.854445      2.046888
  H      -8.182820     -3.126124      3.400132
  H      -7.309085     -3.288965      4.928023
  H      -6.398083     -3.125177      3.411601
  H      -4.279284     -5.573118      8.780253
  H      -2.597487     -4.881373      9.083937
  H      -3.938940     -6.160531      5.477379
  H      -3.273846     -7.702078      6.074820
  H      -4.686323     -6.995232      6.894079
  H      -0.766009     -5.535223      7.646436
  H      -1.049674     -6.839406      6.479614
  H       0.695491     -5.796735      5.116300
  H       0.828944     -4.350612      6.122664
  H       0.443245     -4.192222      4.399410
  H      -2.651897     -3.341675      6.288323
  H      -1.070347     -3.236278      7.099218
  H      -1.247618     -2.690427      5.418939
  N      -4.759630     -3.398292      5.492347
  N      -5.254672     -2.477269      6.409340
  H      -5.630918     -2.966287      7.228821
  H      -4.501939     -1.847198      6.711745
  H      -6.005252     -1.917653      5.982408
88
Coordinates from ORCA-job orca E -5477.113413877777
  N      -3.933286     -3.404601      2.629297
  C      -3.930944     -4.016080      1.287302
  C      -3.146091     -5.307874      1.306051
  N      -3.607657     -6.115137      2.452105
  C      -4.844842     -6.879219      2.133492
  C      -5.703163     -6.954610      3.396575
  N      -5.918830     -5.609573      3.932065
  Mo     -4.038609     -4.754329      4.119969
  N      -2.083506     -5.183673      4.481332
  C      -1.484408     -6.254303      3.679912
  C      -2.549194     -7.034036      2.928092
  H      -0.939036     -6.983785      4.303201
  H      -0.740388     -5.846042      2.968170
  H      -3.018445     -7.755876      3.610583
  H      -2.105919     -7.598101      2.088458
  H      -6.636102     -7.489295      3.157657
  H      -5.185016     -7.583401      4.143881
  H      -5.400458     -6.335802      1.360248
  H      -4.599257     -7.881946      1.743504
  H      -3.466852     -3.374261      0.528723
  H      -4.968185     -4.204149      0.947700
  H      -2.088882     -5.058099      1.468891
  H      -3.239776     -5.869774      0.361732
  C      -1.685630      0.426964      1.106950
  C      -1.556490     -0.394857      2.161004
  C      -0.771215      0.012084      3.382060
  C      -2.127306     -1.794580      2.165394
  C      -3.657331     -1.937061      2.510886
  C      -4.558665     -1.277350      1.441848
  C      -3.925303     -1.160808      3.800854
  C      -7.374819     -5.792377      6.866730
  C      -8.314468     -5.345922      6.017961
  C      -9.414397     -4.419533      6.466476
  C      -8.339537     -5.762821      4.565325
  C      -7.264554     -5.067336      3.648155
  C      -7.711723     -5.286557      2.178292
  C      -7.320622     -3.543944      3.860695
  C      -3.260475     -5.411372      8.467262
  C      -2.830874     -5.969528      7.324021
  C      -3.754713     -6.759759      6.446592
  C      -1.416332     -5.827058      6.832026
  C      -1.239461     -4.814141      5.637687
  C       0.262726     -4.785702      5.274661
  C      -1.582409     -3.402256      6.138518
  H      -1.266828      1.436075      1.112186
  H      -2.210434      0.126209      0.196905
  H      -1.349164     -0.148010      4.304912
  H      -0.470877      1.067179      3.331488
  H       0.141220     -0.602304      3.460633
  H      -1.596559     -2.411374      2.907722
  H      -1.959904     -2.244862      1.175566
  H      -4.455314     -0.187319      1.500472
  H      -5.610166     -1.538479      1.632074
  H      -4.309646     -1.581128      0.417635
  H      -4.997749     -1.187894      4.032661
  H      -3.358291     -1.588886      4.633870
  H      -3.630914     -0.113237      3.653079
  H      -6.616692     -6.502218      6.536723
  H      -7.348570     -5.488604      7.917323
  H     -10.377289     -4.956683      6.464262
  H      -9.523458     -3.564429      5.781242
  H      -9.236324     -4.043546      7.483709
  H      -8.182026     -6.850214      4.491167
  H      -9.328947     -5.539434      4.141019
  H      -7.757549     -6.347640      1.897865
  H      -7.025771     -4.767173      1.493557
  H      -8.714493     -4.863289      2.035324
  H      -8.227076     -3.131980      3.395904
  H      -7.336426     -3.287343      4.926155
  H      -6.437912     -3.088455      3.397855
  H      -4.287212     -5.543773      8.820563
  H      -2.593852     -4.831178      9.109886
  H      -3.956464     -6.169427      5.516314
  H      -3.287902     -7.701100      6.120595
  H      -4.702166     -6.984267      6.947793
  H      -0.763803     -5.489080      7.649083
  H      -1.052114     -6.813507      6.496866
  H       0.678256     -5.787713      5.102396
  H       0.821982     -4.325577      6.099335
  H       0.422460     -4.180930      4.369550
  H      -2.663381     -3.301091      6.287385
  H      -1.065896     -3.198814      7.086290
  H      -1.257300     -2.659497      5.395509
  N      -4.682959     -3.453598      5.442137
  N      -5.154795     -2.533840      6.374246
  H      -5.529597     -3.016661      7.217068
  H      -4.387312     -1.899192      6.677211
  H      -5.918648     -1.946683      5.972059
88
Coordinates from ORCA-job orca E -5433.439989644601
  N      -3.956219     -3.403706      2.614031
  C      -3.952697     -4.021936      1.268249
  C      -3.155250     -5.306062      1.290789
  N      -3.614558     -6.117811      2.442983
  C      -4.850587     -6.895572      2.122235
  C      -5.701451     -6.970666      3.385008
  N      -5.913885     -5.616339      3.917054
  Mo     -4.065624     -4.736303      4.117201
  N      -2.110584     -5.171119      4.476468
  C      -1.496637     -6.244342      3.680688
  C      -2.549699     -7.034236      2.929826
  H      -0.948131     -6.963611      4.312675
  H      -0.751063     -5.830754      2.974809
  H      -3.023336     -7.755326      3.610821
  H      -2.104173     -7.599307      2.092152
  H      -6.636344     -7.505446      3.154586
  H      -5.184099     -7.594659      4.136917
  H      -5.404023     -6.355048      1.344441
  H      -4.592967     -7.895484      1.731907
  H      -3.490870     -3.376049      0.509971
  H      -4.988754     -4.212280      0.927270
  H      -2.098334     -5.052665      1.454751
  H      -3.242980     -5.874906      0.349890
  C      -1.677027      0.421450      1.123779
  C      -1.555118     -0.407948      2.174824
  C      -0.767868     -0.016964      3.399398
  C      -2.140398     -1.803473      2.169048
  C      -3.669634     -1.933438      2.512962
  C      -4.563310     -1.269432      1.444144
  C      -3.936540     -1.165059      3.809240
  C      -7.363527     -5.808224      6.855101
  C      -8.301993     -5.348760      6.009871
  C      -9.395876     -4.419609      6.467253
  C      -8.331678     -5.754292      4.551648
  C      -7.261489     -5.058441      3.635238
  C      -7.707168     -5.267504      2.166130
  C      -7.300929     -3.537645      3.866317
  C      -3.259240     -5.379181      8.498940
  C      -2.835994     -5.945185      7.355294
  C      -3.765013     -6.754567      6.502126
  C      -1.428553     -5.794603      6.840061
  C      -1.260448     -4.789314      5.641394
  C       0.234565     -4.764948      5.257502
  C      -1.591912     -3.375536      6.138729
  H      -1.247932      1.427414      1.137076
  H      -2.204347      0.126793      0.211629
  H      -1.346982     -0.177553      4.323559
  H      -0.454518      1.035917      3.359191
  H       0.138480     -0.642750      3.479517
  H      -1.612920     -2.429895      2.906970
  H      -1.975233     -2.250912      1.176545
  H      -4.454106     -0.178570      1.504784
  H      -5.617734     -1.525229      1.632280
  H      -4.315276     -1.570265      0.417298
  H      -5.012387     -1.185065      4.041746
  H      -3.372518     -1.592445      4.647577
  H      -3.636559     -0.117888      3.664984
  H      -6.608794     -6.518941      6.517452
  H      -7.335145     -5.511434      7.909259
  H     -10.365903     -4.946750      6.459066
  H      -9.502000     -3.555902      5.789952
  H      -9.218219     -4.052614      7.489075
  H      -8.184482     -6.842930      4.466813
  H      -9.322611     -5.522756      4.131336
  H      -7.760017     -6.327256      1.877563
  H      -7.019579     -4.748528      1.480816
  H      -8.709203     -4.837842      2.026300
  H      -8.209272     -3.114138      3.414624
  H      -7.307501     -3.295889      4.938531
  H      -6.421093     -3.070414      3.404304
  H      -4.283864     -5.519621      8.860290
  H      -2.589085     -4.786098      9.128473
  H      -3.976647     -6.181763      5.563832
  H      -3.297821     -7.696470      6.173907
  H      -4.709970     -6.976916      7.009165
  H      -0.765889     -5.446166      7.646024
  H      -1.062102     -6.783125      6.509638
  H       0.647462     -5.768785      5.084082
  H       0.806039     -4.302074      6.074108
  H       0.385964     -4.162928      4.347798
  H      -2.668814     -3.267885      6.304002
  H      -1.060348     -3.173445      7.079756
  H      -1.274437     -2.632270      5.390487
  N      -4.635430     -3.520959      5.390619
  N      -5.098467     -2.614710      6.328415
  H      -5.466594     -3.091766      7.182122
  H      -4.333907     -1.974184      6.634549
  H      -5.869123     -2.017541      5.948700
88
Coordinates from ORCA-job orca E -5477.131098210355
  N      -3.973112     -3.384179      2.561515
  C      -3.970207     -4.016864      1.237418
  C      -3.159451     -5.294367      1.288054
  N      -3.616962     -6.114969      2.437277
  C      -4.849638     -6.900988      2.106355
  C      -5.714753     -6.972598      3.358374
  N      -5.932660     -5.616728      3.882949
  Mo     -4.094176     -4.733477      4.116265
  N      -2.126082     -5.143746      4.483417
  C      -1.501521     -6.212660      3.691903
  C      -2.544796     -7.017288      2.940603
  H      -0.946217     -6.920604      4.331224
  H      -0.756289     -5.793724      2.987916
  H      -3.021817     -7.737085      3.619727
  H      -2.093344     -7.583025      2.106350
  H      -6.650306     -7.506158      3.126695
  H      -5.205913     -7.589969      4.120827
  H      -5.393762     -6.364716      1.319297
  H      -4.575805     -7.897902      1.718869
  H      -3.510878     -3.369674      0.481396
  H      -5.005980     -4.204867      0.909561
  H      -2.103746     -5.037788      1.454832
  H      -3.238712     -5.866986      0.349706
  C      -1.622278      0.401327      1.125998
  C      -1.522331     -0.446549      2.162640
  C      -0.731274     -0.097432      3.395748
  C      -2.140463     -1.827500      2.128866
  C      -3.664240     -1.922965      2.470348
  C      -4.553428     -1.248185      1.413028
  C      -3.928634     -1.199126      3.788614
  C      -7.360389     -5.866100      6.829045
  C      -8.299841     -5.380068      6.001822
  C      -9.382752     -4.453535      6.487449
  C      -8.342716     -5.753641      4.535535
  C      -7.279782     -5.044098      3.623507
  C      -7.736220     -5.223036      2.156063
  C      -7.294817     -3.532597      3.900962
  C      -3.255096     -5.354750      8.524752
  C      -2.832248     -5.928419      7.384139
  C      -3.753834     -6.775239      6.561778
  C      -1.433575     -5.744905      6.849347
  C      -1.281398     -4.741621      5.648748
  C       0.211273     -4.700591      5.256604
  C      -1.627940     -3.330128      6.131677
  H      -1.168858      1.395134      1.158669
  H      -2.151121      0.130899      0.208115
  H      -1.316011     -0.258269      4.316157
  H      -0.388270      0.946238      3.376526
  H       0.156067     -0.749877      3.472594
  H      -1.627488     -2.479671      2.854649
  H      -1.982235     -2.262636      1.130009
  H      -4.431124     -0.160032      1.482891
  H      -5.609607     -1.492105      1.605532
  H      -4.314217     -1.539842      0.381911
  H      -5.004735     -1.214937      4.024581
  H      -3.363495     -1.646145      4.616221
  H      -3.622082     -0.152577      3.668752
  H      -6.611890     -6.570665      6.468583
  H      -7.321674     -5.591996      7.888535
  H     -10.359700     -4.967155      6.466590
  H      -9.484369     -3.570798      5.834656
  H      -9.201181     -4.115163      7.518087
  H      -8.208847     -6.840883      4.422195
  H      -9.337719     -5.508810      4.130824
  H      -7.796035     -6.276356      1.847157
  H      -7.054179     -4.694289      1.472976
  H      -8.738454     -4.787896      2.031878
  H      -8.212371     -3.087457      3.491291
  H      -7.268659     -3.325655      4.980832
  H      -6.427248     -3.050639      3.430165
  H      -4.272754     -5.515290      8.896169
  H      -2.591902     -4.735571      9.135675
  H      -3.986341     -6.219473      5.608748
  H      -3.272572     -7.714047      6.242148
  H      -4.690943     -7.004019      7.080114
  H      -0.770566     -5.379698      7.648424
  H      -1.046203     -6.726930      6.524099
  H       0.636004     -5.698968      5.083651
  H       0.784213     -4.229795      6.068549
  H       0.352119     -4.098132      4.345874
  H      -2.702899     -3.239342      6.310433
  H      -1.088091     -3.110826      7.063942
  H      -1.332407     -2.587430      5.373850
  N      -4.635463     -3.555511      5.400759
  N      -5.092774     -2.668027      6.358486
  H      -5.448158     -3.157009      7.210980
  H      -4.341223     -2.016539      6.679583
  H      -5.876730     -2.071139      6.008873
88
Coordinates from ORCA-job orca E -5477.138061393547
  N      -3.986435     -3.381185      2.543122
  C      -3.988279     -4.025141      1.226038
  C      -3.167421     -5.295118      1.280929
  N      -3.625259     -6.109063      2.430619
  C      -4.850800     -6.899414      2.096406
  C      -5.720101     -6.967955      3.345032
  N      -5.937591     -5.610295      3.851369
  Mo     -4.117240     -4.715927      4.118671
  N      -2.149169     -5.139286      4.487726
  C      -1.524133     -6.206138      3.697831
  C      -2.561800     -7.009460      2.944089
  H      -0.969209     -6.912023      4.339611
  H      -0.778081     -5.785390      2.996722
  H      -3.048712     -7.723691      3.621808
  H      -2.107973     -7.579584      2.114032
  H      -6.658709     -7.497685      3.115123
  H      -5.216927     -7.578696      4.116206
  H      -5.390818     -6.366966      1.304277
  H      -4.566181     -7.894411      1.712865
  H      -3.537675     -3.379152      0.462414
  H      -5.024623     -4.224940      0.901908
  H      -2.113254     -5.035824      1.446001
  H      -3.244732     -5.874808      0.345180
  C      -1.602098      0.399411      1.154570
  C      -1.509066     -0.456838      2.182690
  C      -0.726795     -0.119471      3.422759
  C      -2.133349     -1.834816      2.133580
  C      -3.657659     -1.926128      2.472171
  C      -4.535641     -1.230673      1.419087
  C      -3.924038     -1.221579      3.799834
  C      -7.339088     -5.862869      6.808436
  C      -8.285910     -5.384597      5.987621
  C      -9.370360     -4.464130      6.477436
  C      -8.335339     -5.763336      4.524434
  C      -7.287689     -5.045000      3.602872
  C      -7.742344     -5.244407      2.140961
  C      -7.313378     -3.535817      3.876475
  C      -3.222938     -5.310907      8.537149
  C      -2.820962     -5.903478      7.399868
  C      -3.755834     -6.768641      6.612285
  C      -1.431630     -5.727159      6.841284
  C      -1.289933     -4.729892      5.639596
  C       0.196246     -4.704707      5.221793
  C      -1.609008     -3.313279      6.118438
  H      -1.148191      1.391391      1.199362
  H      -2.125136      0.136425      0.232924
  H      -1.319889     -0.279262      4.336766
  H      -0.374389      0.920346      3.412289
  H       0.152590     -0.780352      3.506533
  H      -1.623102     -2.496997      2.851076
  H      -1.974631     -2.259936      1.131515
  H      -4.399120     -0.144285      1.494499
  H      -5.594415     -1.460054      1.608240
  H      -4.298309     -1.517781      0.387444
  H      -4.998269     -1.243084      4.037681
  H      -3.354500     -1.674421      4.618819
  H      -3.622539     -0.171337      3.696545
  H      -6.588108     -6.561376      6.443406
  H      -7.294754     -5.585996      7.865682
  H     -10.345837     -4.978239      6.452393
  H      -9.474753     -3.579407      5.829525
  H      -9.191269     -4.130357      7.508989
  H      -8.195397     -6.849095      4.411310
  H      -9.336157     -5.531879      4.127969
  H      -7.786111     -6.301870      1.846320
  H      -7.069049     -4.715294      1.451242
  H      -8.750795     -4.826744      2.012058
  H      -8.252099     -3.106047      3.500743
  H      -7.255372     -3.328616      4.953363
  H      -6.473302     -3.039283      3.374179
  H      -4.232980     -5.466504      8.926720
  H      -2.549597     -4.683307      9.125238
  H      -4.004836     -6.235449      5.654464
  H      -3.281023     -7.712868      6.302909
  H      -4.685618     -6.983585      7.148207
  H      -0.755257     -5.363065      7.628876
  H      -1.050839     -6.710767      6.516347
  H       0.608285     -5.705809      5.041771
  H       0.788630     -4.241585      6.022932
  H       0.327874     -4.102264      4.311202
  H      -2.672055     -3.215954      6.342580
  H      -1.031942     -3.089113      7.025753
  H      -1.340665     -2.579186      5.344968
  N      -4.644537     -3.547450      5.421427
  N      -5.110422     -2.672506      6.380731
  H      -5.459267     -3.166721      7.230558
  H      -4.371091     -2.013531      6.705190
  H      -5.900123     -2.085170      6.035871
88
Coordinates from ORCA-job orca E -5477.134345888840
  N      -3.978426     -3.333288      2.548830
  C      -3.975003     -3.977758      1.201080
  C      -3.158640     -5.266175      1.248422
  N      -3.628524     -6.101225      2.407364
  C      -4.876039     -6.901101      2.056801
  C      -5.762549     -6.988188      3.311938
  N      -5.973358     -5.604055      3.850588
  Mo     -4.129231     -4.678500      4.147513
  N      -2.140413     -5.142597      4.517836
  C      -1.508005     -6.227502      3.702526
  C      -2.552730     -7.024443      2.922071
  H      -0.962117     -6.945728      4.338329
  H      -0.754918     -5.801917      3.011671
  H      -3.044880     -7.743489      3.591398
  H      -2.097861     -7.588525      2.088418
  H      -6.701763     -7.512125      3.074211
  H      -5.261799     -7.612580      4.074191
  H      -5.409877     -6.356672      1.268635
  H      -4.594353     -7.893275      1.663311
  H      -3.517211     -3.327839      0.444702
  H      -5.010397     -4.168892      0.870546
  H      -2.103290     -5.013361      1.420151
  H      -3.235429     -5.836916      0.307742
  C      -1.566269      0.407932      1.071849
  C      -1.478566     -0.424737      2.121602
  C      -0.692270     -0.062881      3.352825
  C      -2.113187     -1.798874      2.106150
  C      -3.638440     -1.871551      2.447372
  C      -4.513922     -1.195305      1.378929
  C      -3.899047     -1.128798      3.757589
  C      -7.319535     -5.878605      6.782240
  C      -8.300114     -5.421704      5.983371
  C      -9.394764     -4.525222      6.495643
  C      -8.368526     -5.807421      4.520810
  C      -7.346013     -5.058705      3.596110
  C      -7.796784     -5.254775      2.130951
  C      -7.414789     -3.549570      3.875063
  C      -3.206461     -5.351790      8.612031
  C      -2.805639     -5.939836      7.470945
  C      -3.747788     -6.807583      6.697291
  C      -1.418225     -5.760577      6.893548
  C      -1.267673     -4.754287      5.689360
  C       0.219789     -4.742815      5.271616
  C      -1.570869     -3.337052      6.185169
  H      -1.104724      1.397687      1.091999
  H      -2.092494      0.126521      0.156724
  H      -1.285963     -0.195724      4.271295
  H      -0.332166      0.974059      3.316390
  H       0.182708     -0.728137      3.452047
  H      -1.606803     -2.447470      2.839241
  H      -1.958976     -2.249399      1.113823
  H      -4.370786     -0.108412      1.428048
  H      -5.574318     -1.413886      1.574857
  H      -4.279268     -1.509058      0.353722
  H      -4.973890     -1.136843      3.996216
  H      -3.332424     -1.562685      4.589830
  H      -3.590290     -0.084061      3.625546
  H      -6.563350     -6.559758      6.395378
  H      -7.247642     -5.601640      7.839784
  H     -10.358686     -5.062168      6.493284
  H      -9.533948     -3.644250      5.848355
  H      -9.200323     -4.184936      7.522694
  H      -8.202512     -6.889508      4.406122
  H      -9.380108     -5.602782      4.135822
  H      -7.816818     -6.309784      1.825406
  H      -7.135622     -4.703459      1.446304
  H      -8.814834     -4.858883      2.005817
  H      -8.365670     -3.146520      3.499761
  H      -7.363176     -3.343712      4.953324
  H      -6.589713     -3.025733      3.374606
  H      -4.217846     -5.516224      9.003099
  H      -2.535898     -4.719591      9.199542
  H      -4.004949     -6.271893      5.739483
  H      -3.273870     -7.751592      6.384034
  H      -4.671247     -7.024532      7.243811
  H      -0.734154     -5.399549      7.676430
  H      -1.045779     -6.746509      6.564780
  H       0.620901     -5.746872      5.082248
  H       0.816998     -4.293775      6.077754
  H       0.358767     -4.133120      4.366304
  H      -2.633950     -3.226454      6.413357
  H      -0.989739     -3.130305      7.094560
  H      -1.294057     -2.597363      5.419155
  N      -4.651636     -3.514502      5.457969
  N      -5.119643     -2.636576      6.426874
  H      -5.472489     -3.133939      7.274478
  H      -4.377030     -1.981562      6.756300
  H      -5.906982     -2.043645      6.082619
88
Coordinates from ORCA-job orca E -5477.142768803820
  N      -4.002139     -3.358597      2.521840
  C      -4.004922     -4.017134      1.198684
  C      -3.178191     -5.286348      1.250560
  N      -3.642297     -6.098349      2.400976
  C      -4.868025     -6.892963      2.059913
  C      -5.743383     -6.968748      3.310923
  N      -5.958550     -5.602424      3.816976
  Mo     -4.156976     -4.672737      4.132723
  N      -2.181621     -5.140530      4.502911
  C      -1.556802     -6.213407      3.703044
  C      -2.589349     -7.005998      2.928638
  H      -1.013166     -6.924691      4.347031
  H      -0.804571     -5.788596      3.014118
  H      -3.094221     -7.715290      3.598344
  H      -2.130285     -7.576895      2.102684
  H      -6.686264     -7.489354      3.082420
  H      -5.243955     -7.578273      4.084528
  H      -5.402050     -6.357323      1.266298
  H      -4.573945     -7.884069      1.676180
  H      -3.556929     -3.371135      0.431433
  H      -5.040958     -4.227543      0.871058
  H      -2.125353     -5.029110      1.417774
  H      -3.254354     -5.870485      0.315587
  C      -1.564006      0.402549      1.160036
  C      -1.481768     -0.455851      2.184883
  C      -0.705787     -0.125314      3.428581
  C      -2.117406     -1.828834      2.129080
  C      -3.644582     -1.908773      2.463710
  C      -4.505046     -1.196416      1.404991
  C      -3.910914     -1.202356      3.789946
  C      -7.284028     -5.867759      6.759648
  C      -8.262489     -5.407926      5.966984
  C      -9.348417     -4.505786      6.481455
  C      -8.337710     -5.795614      4.508312
  C      -7.318299     -5.055511      3.573303
  C      -7.761802     -5.271292      2.114758
  C      -7.369475     -3.550711      3.845882
  C      -3.176336     -5.272710      8.591012
  C      -2.799536     -5.890869      7.460422
  C      -3.747371     -6.787028      6.728012
  C      -1.428231     -5.720110      6.858989
  C      -1.303183     -4.734338      5.649680
  C       0.175968     -4.723580      5.205376
  C      -1.600534     -3.313746      6.124172
  H      -1.105092      1.391033      1.209984
  H      -2.082633      0.143020      0.236621
  H      -1.306229     -0.278652      4.337625
  H      -0.342366      0.909919      3.421363
  H       0.164322     -0.795854      3.520981
  H      -1.612458     -2.497978      2.842753
  H      -1.959416     -2.251625      1.126895
  H      -4.353120     -0.110985      1.475745
  H      -5.567485     -1.407239      1.587400
  H      -4.263957     -1.489322      0.377080
  H      -4.983820     -1.215930      4.022215
  H      -3.346312     -1.657360      4.608254
  H      -3.603222     -0.151428      3.694862
  H      -6.531007     -6.549710      6.369428
  H      -7.206596     -5.588101      7.813565
  H     -10.316074     -5.032738      6.475164
  H      -9.480607     -3.623109      5.837747
  H      -9.153009     -4.170691      7.508564
  H      -8.181503     -6.878034      4.394647
  H      -9.350663     -5.590713      4.130279
  H      -7.779207     -6.331307      1.830590
  H      -7.096887     -4.733764      1.425106
  H      -8.778659     -4.879067      1.977082
  H      -8.326789     -3.143364      3.493090
  H      -7.295396     -3.345094      4.919498
  H      -6.555496     -3.033421      3.323611
  H      -4.176198     -5.428976      9.004199
  H      -2.496329     -4.624752      9.145397
  H      -4.022760     -6.289019      5.770614
  H      -3.273458     -7.734979      6.434095
  H      -4.662824     -6.989797      7.291916
  H      -0.733245     -5.347583      7.625425
  H      -1.053953     -6.707028      6.540722
  H       0.578191     -5.726160      5.020768
  H       0.786515     -4.265393      5.994072
  H       0.296032     -4.122121      4.294303
  H      -2.653133     -3.207492      6.385392
  H      -0.996592     -3.088887      7.012156
  H      -1.351440     -2.585728      5.341977
  N      -4.655451     -3.508348      5.473648
  N      -5.127682     -2.642411      6.435468
  H      -5.470571     -3.142204      7.281196
  H      -4.395676     -1.982373      6.760707
  H      -5.918791     -2.062109      6.091855
88
Coordinates from ORCA-job orca E -5477.146287708664
  N      -4.005898     -3.391555      2.504143
  C      -3.992362     -4.039529      1.197238
  C      -3.156828     -5.294701      1.253147
  N      -3.630259     -6.103466      2.385632
  C      -4.843744     -6.889486      2.040054
  C      -5.717219     -6.958138      3.283181
  N      -5.931475     -5.607622      3.780389
  Mo     -4.165297     -4.688779      4.109703
  N      -2.210315     -5.154429      4.499406
  C      -1.579939     -6.213783      3.714008
  C      -2.596937     -7.002521      2.932178
  H      -1.041744     -6.923051      4.365167
  H      -0.821942     -5.785436      3.033125
  H      -3.113705     -7.707735      3.597519
  H      -2.123526     -7.578769      2.117503
  H      -6.661334     -7.475651      3.056911
  H      -5.219030     -7.565854      4.058824
  H      -5.377113     -6.359020      1.242846
  H      -4.546693     -7.881977      1.660613
  H      -3.551589     -3.382784      0.433799
  H      -5.021580     -4.265258      0.863831
  H      -2.106686     -5.030873      1.432585
  H      -3.218210     -5.876374      0.316123
  C      -1.574595      0.367246      1.157442
  C      -1.500624     -0.480754      2.192728
  C      -0.743128     -0.132547      3.443405
  C      -2.126787     -1.858708      2.141017
  C      -3.655798     -1.947815      2.462869
  C      -4.506630     -1.239959      1.392096
  C      -3.945457     -1.248061      3.785928
  C      -7.293224     -5.939679      6.760701
  C      -8.238180     -5.407487      5.974356
  C      -9.283465     -4.469827      6.509311
  C      -8.323526     -5.744970      4.503808
  C      -7.280520     -5.024532      3.575983
  C      -7.756948     -5.176858      2.119131
  C      -7.260345     -3.528625      3.889558
  C      -3.176877     -5.248421      8.578473
  C      -2.802338     -5.886252      7.457296
  C      -3.737259     -6.813739      6.743729
  C      -1.439722     -5.701493      6.848462
  C      -1.343682     -4.721396      5.638651
  C       0.137944     -4.660499      5.200345
  C      -1.686975     -3.309613      6.106303
  H      -1.121673      1.359541      1.202926
  H      -2.080069      0.093987      0.229459
  H      -1.357244     -0.273150      4.346424
  H      -0.379860      0.903216      3.427485
  H       0.126297     -0.801603      3.559165
  H      -1.621269     -2.522133      2.861113
  H      -1.960672     -2.286139      1.140898
  H      -4.357710     -0.153803      1.455511
  H      -5.571411     -1.452060      1.564566
  H      -4.252886     -1.541099      0.368294
  H      -5.020829     -1.282505      4.008367
  H      -3.379747     -1.693928      4.609557
  H      -3.656431     -0.191536      3.695325
  H      -6.568834     -6.645545      6.358006
  H      -7.218820     -5.697061      7.824172
  H     -10.278230     -4.943858      6.469389
  H      -9.359608     -3.556569      5.898427
  H      -9.086389     -4.184668      7.551800
  H      -8.216869     -6.829908      4.358150
  H      -9.328638     -5.485646      4.135389
  H      -7.821662     -6.225615      1.802053
  H      -7.082765     -4.643427      1.434650
  H      -8.760422     -4.741298      2.010815
  H      -8.213734     -3.073799      3.585269
  H      -7.135145     -3.356237      4.965362
  H      -6.446362     -3.029667      3.347636
  H      -4.167687     -5.412687      9.007916
  H      -2.500457     -4.576526      9.110286
  H      -4.027207     -6.342420      5.779442
  H      -3.247363     -7.761231      6.471479
  H      -4.646605     -7.019485      7.317694
  H      -0.747248     -5.313952      7.611026
  H      -1.046862     -6.683284      6.533993
  H       0.577329     -5.648172      5.017263
  H       0.728445     -4.182161      5.993538
  H       0.241976     -4.051949      4.290952
  H      -2.739646     -3.240940      6.388495
  H      -1.076267     -3.055325      6.983051
  H      -1.478547     -2.577360      5.315140
  N      -4.644170     -3.548424      5.456198
  N      -5.131586     -2.691651      6.413661
  H      -5.475185     -3.197625      7.257537
  H      -4.408386     -2.021105      6.746542
  H      -5.928287     -2.119263      6.063997
88
Coordinates from ORCA-job orca E -5477.148292023575
  N      -4.012101     -3.392980      2.508644
  C      -3.998256     -4.032397      1.203196
  C      -3.153945     -5.283586      1.255021
  N      -3.631371     -6.095254      2.381820
  C      -4.844333     -6.880526      2.040897
  C      -5.711310     -6.947951      3.290099
  N      -5.924990     -5.595377      3.765553
  Mo     -4.168423     -4.683544      4.105892
  N      -2.224212     -5.160442      4.504489
  C      -1.592277     -6.214169      3.720494
  C      -2.609189     -6.998397      2.937965
  H      -1.052148     -6.925787      4.369358
  H      -0.833661     -5.783226      3.040092
  H      -3.132812     -7.696934      3.604931
  H      -2.132761     -7.584050      2.130795
  H      -6.657078     -7.467510      3.068656
  H      -5.210252     -7.549991      4.068882
  H      -5.385488     -6.353753      1.246390
  H      -4.550005     -7.874357      1.661588
  H      -3.571279     -3.370344      0.436930
  H      -5.025817     -4.269896      0.873153
  H      -2.105410     -5.014952      1.438468
  H      -3.208995     -5.860612      0.314723
  C      -1.567481      0.365401      1.178828
  C      -1.503078     -0.483707      2.214214
  C      -0.758131     -0.136000      3.472656
  C      -2.129969     -1.860229      2.156443
  C      -3.658672     -1.951876      2.479270
  C      -4.508183     -1.227076      1.416388
  C      -3.949805     -1.263786      3.808453
  C      -7.288596     -5.871451      6.770710
  C      -8.235806     -5.371433      5.965649
  C      -9.294785     -4.432434      6.471264
  C      -8.311348     -5.747698      4.504576
  C      -7.282794     -5.032112      3.560503
  C      -7.756555     -5.242231      2.109428
  C      -7.299784     -3.527570      3.830062
  C      -3.141719     -5.242501      8.572226
  C      -2.782331     -5.890411      7.451849
  C      -3.725793     -6.824936      6.755361
  C      -1.423943     -5.711807      6.829592
  C      -1.341092     -4.721638      5.626934
  C       0.133231     -4.669831      5.161418
  C      -1.656964     -3.309282      6.112542
  H      -1.115111      1.357222      1.228826
  H      -2.064392      0.093121      0.246340
  H      -1.384910     -0.266380      4.368186
  H      -0.385959      0.896265      3.455923
  H       0.103609     -0.811837      3.602469
  H      -1.623749     -2.527847      2.871844
  H      -1.966567     -2.282666      1.153839
  H      -4.347237     -0.143685      1.483366
  H      -5.574078     -1.428729      1.593615
  H      -4.263523     -1.526459      0.390222
  H      -5.023092     -1.316382      4.038455
  H      -3.372606     -1.706219      4.625628
  H      -3.677618     -0.203589      3.722380
  H      -6.552564     -6.578550      6.392228
  H      -7.226661     -5.601301      7.827825
  H     -10.285435     -4.913843      6.424890
  H      -9.368419     -3.529511      5.845188
  H      -9.113892     -4.129802      7.511466
  H      -8.184627     -6.834064      4.385862
  H      -9.319807     -5.515998      4.127764
  H      -7.797264     -6.302969      1.828714
  H      -7.093073     -4.718399      1.407836
  H      -8.769055     -4.833305      1.986401
  H      -8.275585     -3.112682      3.540928
  H      -7.152781     -3.322854      4.896035
  H      -6.518450     -3.020721      3.250328
  H      -4.126259     -5.401411      9.017636
  H      -2.456846     -4.568762      9.089888
  H      -4.031299     -6.366535      5.788136
  H      -3.238207     -7.776818      6.494601
  H      -4.627012     -7.023276      7.344939
  H      -0.718606     -5.338260      7.587214
  H      -1.041848     -6.693192      6.501369
  H       0.558514     -5.659676      4.957073
  H       0.742556     -4.208733      5.950121
  H       0.226847     -4.049536      4.258842
  H      -2.688355     -3.242287      6.459528
  H      -0.994882     -3.055045      6.951398
  H      -1.494851     -2.577413      5.310731
  N      -4.631227     -3.549258      5.466170
  N      -5.129891     -2.699750      6.425743
  H      -5.471968     -3.212147      7.265726
  H      -4.414185     -2.022524      6.762429
  H      -5.930219     -2.134400      6.073428
88
Coordinates from ORCA-job orca E -5477.150248395593
  N      -4.007974     -3.395186      2.515391
  C      -3.987835     -4.026534      1.203099
  C      -3.138603     -5.278091      1.251357
  N      -3.628810     -6.092737      2.373091
  C      -4.847808     -6.873500      2.028411
  C      -5.716358     -6.938404      3.280304
  N      -5.921654     -5.578289      3.747833
  Mo     -4.164132     -4.679183      4.095654
  N      -2.237426     -5.174708      4.514319
  C      -1.598954     -6.226504      3.729055
  C      -2.617526     -7.006262      2.940419
  H      -1.059600     -6.944078      4.372990
  H      -0.837657     -5.794099      3.051659
  H      -3.148914     -7.698069      3.608040
  H      -2.136640     -7.602591      2.143166
  H      -6.663529     -7.456447      3.057926
  H      -5.216898     -7.544487      4.057022
  H      -5.392613     -6.346425      1.236546
  H      -4.562809     -7.869941      1.647695
  H      -3.571994     -3.361460      0.434934
  H      -5.013363     -4.275264      0.872058
  H      -2.092624     -5.006119      1.445464
  H      -3.183664     -5.848715      0.306796
  C      -1.539006      0.348969      1.162478
  C      -1.495325     -0.484647      2.212641
  C      -0.772478     -0.118010      3.479640
  C      -2.123106     -1.859871      2.165466
  C      -3.654749     -1.949991      2.478352
  C      -4.495328     -1.223242      1.406498
  C      -3.955072     -1.240969      3.795555
  C      -7.266220     -5.865132      6.775511
  C      -8.218957     -5.371320      5.970604
  C      -9.281583     -4.436828      6.479541
  C      -8.300741     -5.751041      4.510534
  C      -7.288359     -5.026977      3.559656
  C      -7.772339     -5.243760      2.109621
  C      -7.322817     -3.521317      3.824776
  C      -3.129721     -5.250564      8.573553
  C      -2.777806     -5.904075      7.453718
  C      -3.724526     -6.842811      6.764793
  C      -1.419070     -5.728026      6.826066
  C      -1.348661     -4.724904      5.629026
  C       0.123190     -4.653677      5.154678
  C      -1.672444     -3.320366      6.135926
  H      -1.085098      1.340561      1.204267
  H      -2.020226      0.064125      0.225193
  H      -1.419574     -0.222601      4.364152
  H      -0.389825      0.910155      3.447797
  H       0.079875     -0.799110      3.640201
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  H      -1.955487     -2.293363      1.168258
  H      -4.319802     -0.142165      1.463220
  H      -5.563970     -1.410445      1.584778
  H      -4.255089     -1.536266      0.383424
  H      -5.027761     -1.306819      4.025395
  H      -3.374568     -1.661155      4.622312
  H      -3.698019     -0.179415      3.688518
  H      -6.525269     -6.569879      6.400547
  H      -7.211580     -5.596383      7.833434
  H     -10.271418     -4.918926      6.422850
  H      -9.351519     -3.527356      5.862362
  H      -9.105623     -4.144965      7.523756
  H      -8.161778     -6.836559      4.392985
  H      -9.312951     -5.528875      4.138865
  H      -7.805403     -6.305360      1.830223
  H      -7.117401     -4.715107      1.403023
  H      -8.789095     -4.844097      1.992930
  H      -8.314055     -3.126114      3.563566
  H      -7.148230     -3.311849      4.885404
  H      -6.566859     -3.005565      3.220290
  H      -4.109761     -5.405289      9.031533
  H      -2.438960     -4.576907      9.083866
  H      -4.039408     -6.396804      5.793395
  H      -3.236213     -7.798812      6.520519
  H      -4.620422     -7.036134      7.365765
  H      -0.706751     -5.367261      7.583351
  H      -1.044297     -6.707423      6.484642
  H       0.554453     -5.636834      4.930938
  H       0.731966     -4.201352      5.948601
  H       0.206839     -4.017270      4.261814
  H      -2.684475     -3.278117      6.541987
  H      -0.971204     -3.054359      6.938403
  H      -1.568573     -2.584005      5.328802
  N      -4.615505     -3.544712      5.462558
  N      -5.134831     -2.698511      6.419550
  H      -5.483805     -3.216941      7.252881
  H      -4.428444     -2.014487      6.763476
  H      -5.935218     -2.140247      6.054875
88
Coordinates from ORCA-job orca E -5477.153488890126
  N      -4.027366     -3.391624      2.508652
  C      -4.012527     -4.030289      1.196295
  C      -3.156924     -5.283059      1.242873
  N      -3.632495     -6.100464      2.370629
  C      -4.844417     -6.896202      2.037992
  C      -5.706755     -6.950604      3.292200
  N      -5.913487     -5.581451      3.735017
  Mo     -4.164666     -4.669956      4.081569
  N      -2.242879     -5.159147      4.506775
  C      -1.595193     -6.204821      3.718835
  C      -2.609824     -6.999992      2.939519
  H      -1.043518     -6.915639      4.359679
  H      -0.842835     -5.765306      3.036953
  H      -3.131026     -7.690808      3.614528
  H      -2.126752     -7.599403      2.145886
  H      -6.651399     -7.476127      3.079648
  H      -5.202650     -7.543402      4.076118
  H      -5.398262     -6.382584      1.243507
  H      -4.553080     -7.894532      1.666627
  H      -3.607841     -3.367764      0.420568
  H      -5.039505     -4.286126      0.874662
  H      -2.111834     -5.004307      1.430747
  H      -3.202871     -5.855438      0.299653
  C      -1.516563      0.344563      1.187440
  C      -1.485516     -0.501336      2.227915
  C      -0.755805     -0.158877      3.497889
  C      -2.132356     -1.868467      2.165081
  C      -3.665634     -1.948008      2.481365
  C      -4.501974     -1.201147      1.419196
  C      -3.960881     -1.253926      3.809776
  C      -7.250631     -5.785959      6.786478
  C      -8.202511     -5.313814      5.967620
  C      -9.259674     -4.361000      6.450031
  C      -8.290058     -5.733827      4.519427
  C      -7.282445     -5.036229      3.547087
  C      -7.775628     -5.279627      2.103177
  C      -7.307370     -3.526612      3.780585
  C      -3.114751     -5.265407      8.566820
  C      -2.760847     -5.909700      7.443572
  C      -3.698780     -6.859726      6.757874
  C      -1.405689     -5.712350      6.810643
  C      -1.352930     -4.699589      5.617928
  C       0.115416     -4.609488      5.135261
  C      -1.691843     -3.302213      6.134866
  H      -1.046917      1.329947      1.239444
  H      -2.001622      0.076149      0.247714
  H      -1.405938     -0.261094      4.380182
  H      -0.354027      0.864064      3.476015
  H       0.085220     -0.855900      3.652216
  H      -1.636343     -2.543848      2.880748
  H      -1.973037     -2.292199      1.162416
  H      -4.310847     -0.122706      1.485552
  H      -5.573248     -1.376230      1.600379
  H      -4.271176     -1.507441      0.391807
  H      -5.033863     -1.322409      4.043254
  H      -3.379884     -1.683745      4.631003
  H      -3.703286     -0.191561      3.714257
  H      -6.509978     -6.502095      6.435926
  H      -7.197938     -5.486142      7.835383
  H     -10.252999     -4.835218      6.401093
  H      -9.321608     -3.466872      5.813042
  H      -9.083852     -4.047187      7.486014
  H      -8.153818     -6.821042      4.430801
  H      -9.303169     -5.520035      4.144771
  H      -7.815957     -6.345487      1.844970
  H      -7.121567     -4.769310      1.383431
  H      -8.790162     -4.877318      1.982424
  H      -8.301435     -3.138311      3.526259
  H      -7.113437     -3.294422      4.834350
  H      -6.561326     -3.025929      3.155046
  H      -4.090307     -5.432779      9.031189
  H      -2.428214     -4.585985      9.074922
  H      -4.026630     -6.420468      5.788811
  H      -3.198185     -7.810245      6.515783
  H      -4.589508     -7.064835      7.362854
  H      -0.693342     -5.350793      7.567426
  H      -1.021778     -6.685613      6.460618
  H       0.554705     -5.587162      4.900511
  H       0.723795     -4.159010      5.929948
  H       0.188620     -3.964027      4.246877
  H      -2.694796     -3.280924      6.572949
  H      -0.970180     -3.027759      6.918305
  H      -1.625046     -2.559183      5.324071
  N      -4.649993     -3.600297      5.485545
  N      -5.201051     -2.791833      6.463595
  H      -5.576960     -3.344660      7.263811
  H      -4.507513     -2.118002      6.858103
  H      -5.987128     -2.217145      6.095152
88
Coordinates from ORCA-job orca E -5477.157257737063
  N      -4.019609     -3.387944      2.502940
  C      -4.008287     -4.036601      1.189037
  C      -3.159474     -5.296566      1.236497
  N      -3.632487     -6.111995      2.370605
  C      -4.843402     -6.909281      2.043290
  C      -5.704532     -6.942576      3.294655
  N      -5.899464     -5.562545      3.717820
  Mo     -4.147676     -4.651241      4.064477
  N      -2.240304     -5.159406      4.506279
  C      -1.589847     -6.205389      3.716958
  C      -2.605663     -7.005965      2.942157
  H      -1.037819     -6.916090      4.356879
  H      -0.838421     -5.766245      3.035168
  H      -3.124716     -7.692978      3.623516
  H      -2.123182     -7.611183      2.153464
  H      -6.651144     -7.465549      3.088631
  H      -5.204543     -7.529323      4.085500
  H      -5.396792     -6.401268      1.244574
  H      -4.555888     -7.911165      1.680740
  H      -3.608139     -3.379613      0.406567
  H      -5.037026     -4.293171      0.875495
  H      -2.113617     -5.019585      1.422452
  H      -3.208549     -5.870071      0.294766
  C      -1.531574      0.354194      1.172083
  C      -1.499849     -0.482825      2.219694
  C      -0.781312     -0.125041      3.493227
  C      -2.134843     -1.853365      2.162017
  C      -3.667687     -1.942947      2.470879
  C      -4.500002     -1.207455      1.399095
  C      -3.981883     -1.248534      3.796931
  C      -7.218188     -5.738184      6.793049
  C      -8.172343     -5.270026      5.972239
  C      -9.225494     -4.310028      6.456871
  C      -8.270271     -5.702276      4.524957
  C      -7.270233     -5.017466      3.534978
  C      -7.776259     -5.272192      2.096097
  C      -7.291004     -3.502946      3.747441
  C      -3.115110     -5.288949      8.571641
  C      -2.758592     -5.928686      7.447045
  C      -3.686155     -6.884819      6.761655
  C      -1.405935     -5.721213      6.814374
  C      -1.353848     -4.703732      5.624139
  C       0.113261     -4.611064      5.148087
  C      -1.700907     -3.311156      6.147786
  H      -1.070646      1.342545      1.219267
  H      -2.009921      0.074826      0.230420
  H      -1.434747     -0.222941      4.372786
  H      -0.387577      0.897923      3.465128
  H       0.062053     -0.814248      3.658167
  H      -1.637251     -2.521085      2.884032
  H      -1.969388     -2.281552      1.161469
  H      -4.312213     -0.129140      1.461308
  H      -5.569641     -1.385724      1.575160
  H      -4.263687     -1.517572      0.373617
  H      -5.055853     -1.330226      4.020082
  H      -3.406594     -1.669808      4.628881
  H      -3.736298     -0.182864      3.700680
  H      -6.477313     -6.460245      6.449304
  H      -7.168676     -5.430249      7.842781
  H     -10.220554     -4.782039      6.410057
  H      -9.286113     -3.413245      5.817298
  H      -9.045964     -3.994887      7.495142
  H      -8.135336     -6.792349      4.445989
  H      -9.285859     -5.489090      4.156370
  H      -7.822336     -6.340516      1.847153
  H      -7.126099     -4.770410      1.365672
  H      -8.790607     -4.866719      1.980772
  H      -8.286890     -3.118304      3.501044
  H      -7.083630     -3.253727      4.794073
  H      -6.554444     -3.011961      3.107035
  H      -4.087171     -5.460075      9.039860
  H      -2.431155     -4.606900      9.079128
  H      -4.017598     -6.454829      5.795527
  H      -3.176686     -7.832848      6.526788
  H      -4.574680     -7.095982      7.367771
  H      -0.695232     -5.361419      7.573150
  H      -1.019956     -6.691736      6.460306
  H       0.550475     -5.587516      4.908788
  H       0.718726     -4.166328      5.947652
  H       0.191202     -3.961726      4.264542
  H      -2.692170     -3.294078      6.587877
  H      -0.981961     -3.037483      6.922390
  H      -1.641483     -2.567428      5.349457
  N      -4.663188     -3.660374      5.503411
  N      -5.243186     -2.892482      6.498713
  H      -5.698562     -3.481988      7.226098
  H      -4.551717     -2.279995      6.987346
  H      -5.971566     -2.257595      6.118691
88
Coordinates from ORCA-job orca E -5477.160783028746
  N      -4.017220     -3.388461      2.497808
  C      -4.007792     -4.042980      1.179733
  C      -3.166851     -5.307270      1.224883
  N      -3.637843     -6.123919      2.364204
  C      -4.847139     -6.921811      2.039430
  C      -5.706350     -6.939866      3.290266
  N      -5.891940     -5.552566      3.702584
  Mo     -4.133589     -4.631754      4.046528
  N      -2.240510     -5.162329      4.493518
  C      -1.587920     -6.208710      3.700402
  C      -2.604942     -7.013544      2.931584
  H      -1.034434     -6.918534      4.338515
  H      -0.840056     -5.768225      3.017034
  H      -3.120483     -7.699358      3.618456
  H      -2.125800     -7.620198      2.143291
  H      -6.654970     -7.460094      3.091499
  H      -5.207907     -7.522444      4.085045
  H      -5.398085     -6.415446      1.237753
  H      -4.560374     -7.925028      1.681198
  H      -3.606760     -3.387393      0.394885
  H      -5.038743     -4.296928      0.872001
  H      -2.119527     -5.033247      1.409661
  H      -3.220182     -5.879952      0.283251
  C      -1.524057      0.363150      1.198779
  C      -1.506612     -0.476035      2.244890
  C      -0.810739     -0.120121      3.531888
  C      -2.135401     -1.847163      2.174321
  C      -3.669774     -1.942516      2.465251
  C      -4.491034     -1.213723      1.384044
  C      -4.002460     -1.254567      3.790474
  C      -7.174945     -5.645972      6.803902
  C      -8.139025     -5.207940      5.977153
  C      -9.194663     -4.242903      6.445744
  C      -8.249753     -5.679050      4.543609
  C      -7.265146     -5.013036      3.523388
  C      -7.791825     -5.296073      2.098135
  C      -7.289115     -3.493071      3.696180
  C      -3.105441     -5.294867      8.575780
  C      -2.746607     -5.937402      7.451962
  C      -3.665015     -6.913155      6.777683
  C      -1.398654     -5.712781      6.812036
  C      -1.359066     -4.701576      5.615358
  C       0.105443     -4.591879      5.137389
  C      -1.731858     -3.314157      6.134174
  H      -1.067386      1.351837      1.256108
  H      -1.986743      0.085789      0.248594
  H      -1.479777     -0.218300      4.400192
  H      -0.417090      0.902208      3.510177
  H       0.031204     -0.809821      3.712243
  H      -1.644073     -2.514940      2.900929
  H      -1.958593     -2.272693      1.175012
  H      -4.303247     -0.135512      1.446189
  H      -5.562331     -1.391605      1.548103
  H      -4.243463     -1.526259      0.361829
  H      -5.077732     -1.344478      3.998892
  H      -3.440471     -1.675408      4.630889
  H      -3.761415     -0.187342      3.702530
  H      -6.429002     -6.373322      6.481711
  H      -7.130635     -5.311589      7.846543
  H     -10.186546     -4.721654      6.420240
  H      -9.266479     -3.365191      5.783882
  H      -9.009155     -3.898878      7.472221
  H      -8.108037     -6.769486      4.493619
  H      -9.272327     -5.481496      4.183560
  H      -7.842119     -6.369206      1.870119
  H      -7.151261     -4.808112      1.349325
  H      -8.808969     -4.891363      1.989446
  H      -8.294080     -3.119623      3.457425
  H      -7.065764     -3.213037      4.728730
  H      -6.563272     -3.010418      3.031430
  H      -4.071819     -5.475118      9.053641
  H      -2.425847     -4.598711      9.075201
  H      -4.006059     -6.499636      5.810481
  H      -3.143787     -7.857543      6.552820
  H      -4.549426     -7.131567      7.390559
  H      -0.690571     -5.338442      7.567094
  H      -1.001738     -6.680026      6.462797
  H       0.552721     -5.562948      4.898421
  H       0.707940     -4.139881      5.935882
  H       0.176080     -3.943499      4.252447
  H      -2.718613     -3.317270      6.600793
  H      -0.996148     -3.016750      6.891804
  H      -1.708970     -2.572564      5.327075
  N      -4.662781     -3.723217      5.518700
  N      -5.259553     -2.994441      6.529635
  H      -5.809169     -3.611901      7.161834
  H      -4.566451     -2.485027      7.115267
  H      -5.912183     -2.275517      6.157875
88
Coordinates from ORCA-job orca E -5477.163711653069
  N      -4.005843     -3.386644      2.485774
  C      -3.987172     -4.050184      1.165135
  C      -3.153186     -5.316153      1.218941
  N      -3.636970     -6.129541      2.360012
  C      -4.846646     -6.921150      2.023939
  C      -5.716147     -6.926216      3.268951
  N      -5.892219     -5.535914      3.678103
  Mo     -4.124880     -4.598878      4.028128
  N      -2.247932     -5.162816      4.491542
  C      -1.593058     -6.215616      3.704251
  C      -2.608059     -7.020871      2.933808
  H      -1.045731     -6.922820      4.350272
  H      -0.841155     -5.778888      3.023058
  H      -3.130587     -7.701731      3.622697
  H      -2.127843     -7.631787      2.149250
  H      -6.668044     -7.439939      3.071510
  H      -5.224182     -7.509134      4.068402
  H      -5.383860     -6.412226      1.214114
  H      -4.559696     -7.926053      1.670890
  H      -3.574937     -3.398427      0.381730
  H      -5.018611     -4.300490      0.852544
  H      -2.105240     -5.047353      1.411725
  H      -3.203386     -5.891011      0.277847
  C      -1.519288      0.373123      1.181935
  C      -1.509115     -0.457340      2.234945
  C      -0.830371     -0.084977      3.525428
  C      -2.127898     -1.834471      2.169460
  C      -3.664338     -1.937403      2.445153
  C      -4.473936     -1.221352      1.349248
  C      -4.017939     -1.244069      3.763000
  C      -7.151667     -5.688520      6.809537
  C      -8.109344     -5.217761      5.991720
  C      -9.148870     -4.248500      6.486643
  C      -8.237487     -5.662274      4.549490
  C      -7.263088     -4.991302      3.516315
  C      -7.812604     -5.263263      2.098876
  C      -7.276731     -3.469713      3.693781
  C      -3.111181     -5.282318      8.596814
  C      -2.752714     -5.933447      7.476276
  C      -3.663122     -6.932394      6.822334
  C      -1.411917     -5.702806      6.825156
  C      -1.371583     -4.703484      5.620743
  C       0.092049     -4.605437      5.142589
  C      -1.740064     -3.309881      6.127836
  H      -1.068765      1.365805      1.236203
  H      -1.969229      0.085885      0.229377
  H      -1.508714     -0.176848      4.388525
  H      -0.440315      0.940549      3.496673
  H       0.012440     -0.770331      3.720738
  H      -1.639936     -2.492727      2.906414
  H      -1.940011     -2.268641      1.175220
  H      -4.287169     -0.141036      1.404578
  H      -5.548749     -1.397651      1.500135
  H      -4.211887     -1.543127      0.333245
  H      -5.094859     -1.341912      3.956805
  H      -3.469159     -1.656887      4.615289
  H      -3.782777     -0.174467      3.676188
  H      -6.419781     -6.424584      6.476144
  H      -7.116337     -5.385846      7.865666
  H     -10.147158     -4.718391      6.452446
  H      -9.210070     -3.354306      5.840425
  H      -8.956260     -3.927106      7.523592
  H      -8.102809     -6.753878      4.483327
  H      -9.263633     -5.452732      4.210219
  H      -7.875196     -6.334369      1.864403
  H      -7.179163     -4.775879      1.343752
  H      -8.827684     -4.849167      2.009153
  H      -8.282474     -3.082263      3.471698
  H      -7.033562     -3.183565      4.722413
  H      -6.556185     -2.994560      3.016294
  H      -4.070902     -5.468701      9.085047
  H      -2.436088     -4.574295      9.085712
  H      -4.012458     -6.542738      5.851258
  H      -3.132903     -7.875105      6.612469
  H      -4.542276     -7.150850      7.444061
  H      -0.703823     -5.315408      7.573676
  H      -1.011416     -6.671131      6.483516
  H       0.532257     -5.580444      4.906699
  H       0.700130     -4.153624      5.938801
  H       0.165935     -3.963053      4.254063
  H      -2.723839     -3.303076      6.600606
  H      -0.998454     -2.998952      6.878723
  H      -1.721142     -2.580168      5.313767
  N      -4.674753     -3.759265      5.521067
  N      -5.290631     -3.055843      6.534198
  H      -5.971968     -3.672261      7.028822
  H      -4.611100     -2.704040      7.232303
  H      -5.820833     -2.230428      6.184318
88
Coordinates from ORCA-job orca E -5477.165370059427
  N      -3.998525     -3.394954      2.478456
  C      -3.975658     -4.057652      1.154771
  C      -3.142840     -5.325616      1.209557
  N      -3.630951     -6.143090      2.348909
  C      -4.841415     -6.933085      2.010202
  C      -5.711907     -6.934203      3.258227
  N      -5.883716     -5.543522      3.660565
  Mo     -4.115416     -4.589861      4.015044
  N      -2.249611     -5.183089      4.483927
  C      -1.592448     -6.234527      3.696101
  C      -2.605691     -7.037971      2.923324
  H      -1.045065     -6.939419      4.344727
  H      -0.841177     -5.795435      3.015111
  H      -3.131841     -7.717363      3.610386
  H      -2.125428     -7.648962      2.138421
  H      -6.666644     -7.444848      3.065482
  H      -5.219138     -7.516027      4.059063
  H      -5.375121     -6.424636      1.197686
  H      -4.552679     -7.938899      1.660112
  H      -3.558355     -3.405082      0.374670
  H      -5.007592     -4.303888      0.839754
  H      -2.094535     -5.061072      1.405107
  H      -3.192464     -5.898499      0.267172
  C      -1.563550      0.407568      1.208926
  C      -1.546814     -0.424011      2.258991
  C      -0.889328     -0.040607      3.556994
  C      -2.138703     -1.811443      2.183179
  C      -3.674410     -1.940552      2.445333
  C      -4.483707     -1.229449      1.345815
  C      -4.051265     -1.263051      3.765004
  C      -7.101580     -5.549377      6.823551
  C      -8.067155     -5.117993      5.992370
  C      -9.100090     -4.129432      6.447847
  C      -8.212387     -5.624256      4.577367
  C      -7.251238     -4.998429      3.506416
  C      -7.827126     -5.316697      2.109853
  C      -7.254118     -3.474961      3.629083
  C      -3.105026     -5.309948      8.598257
  C      -2.747722     -5.960962      7.477877
  C      -3.653557     -6.973184      6.838809
  C      -1.411597     -5.724520      6.818358
  C      -1.375634     -4.722755      5.617231
  C       0.089518     -4.615016      5.142189
  C      -1.747652     -3.329588      6.124679
  H      -1.133814      1.407975      1.271221
  H      -1.998626      0.114187      0.251328
  H      -1.571352     -0.147714      4.411853
  H      -0.520586      0.990555      3.535574
  H      -0.037282     -0.706496      3.759346
  H      -1.644398     -2.463026      2.920904
  H      -1.937698     -2.238349      1.188961
  H      -4.310010     -0.148641      1.406493
  H      -5.557467     -1.416060      1.484315
  H      -4.209274     -1.544244      0.332204
  H      -5.128949     -1.380721      3.947874
  H      -3.504525     -1.674115      4.620287
  H      -3.833019     -0.189240      3.692246
  H      -6.369178     -6.295501      6.523907
  H      -7.068379     -5.208648      7.863872
  H     -10.097971     -4.595385      6.445227
  H      -9.165991     -3.273554      5.763906
  H      -8.898501     -3.761235      7.459906
  H      -8.078718     -6.713392      4.557132
  H      -9.243512     -5.430604      4.243924
  H      -7.902832     -6.392978      1.913509
  H      -7.201741     -4.862031      1.330734
  H      -8.839012     -4.898345      2.019494
  H      -8.257830     -3.094203      3.405149
  H      -6.991693     -3.142702      4.636867
  H      -6.541569     -3.030271      2.927729
  H      -4.059865     -5.505129      9.093457
  H      -2.433484     -4.597401      9.081727
  H      -4.009688     -6.598171      5.866355
  H      -3.117199     -7.913806      6.637742
  H      -4.529067     -7.191500      7.464854
  H      -0.702785     -5.333847      7.564025
  H      -1.006093     -6.691246      6.474712
  H       0.536587     -5.587338      4.901932
  H       0.694206     -4.164354      5.940913
  H       0.161299     -3.966820      4.256085
  H      -2.727719     -3.322459      6.599511
  H      -1.008953     -3.012957      6.871708
  H      -1.735692     -2.600624      5.309442
  N      -4.670385     -3.816692      5.539070
  N      -5.292892     -3.136210      6.569102
  H      -6.089419     -3.722058      6.923721
  H      -4.643826     -2.956271      7.357119
  H      -5.690043     -2.216866      6.277596
88
Coordinates from ORCA-job orca E -5477.166459199512
  N      -3.983798     -3.387224      2.452129
  C      -3.958572     -4.057647      1.133120
  C      -3.137179     -5.334656      1.205216
  N      -3.637256     -6.142422      2.346265
  C      -4.855230     -6.920446      2.007904
  C      -5.720717     -6.911789      3.261071
  N      -5.884325     -5.522173      3.659142
  Mo     -4.111168     -4.557522      4.004106
  N      -2.253174     -5.186654      4.472911
  C      -1.605953     -6.248456      3.694045
  C      -2.625806     -7.047954      2.928381
  H      -1.060200     -6.947046      4.350946
  H      -0.855884     -5.820469      3.005699
  H      -3.160544     -7.715528      3.618106
  H      -2.152011     -7.668708      2.146966
  H      -6.681017     -7.416132      3.076727
  H      -5.226036     -7.494640      4.060578
  H      -5.383955     -6.411121      1.193110
  H      -4.573066     -7.930180      1.664606
  H      -3.525860     -3.415399      0.354261
  H      -4.990869     -4.289965      0.811537
  H      -2.087444     -5.082891      1.403293
  H      -3.188508     -5.912778      0.266582
  C      -1.503475      0.409661      1.203016
  C      -1.517158     -0.420099      2.258320
  C      -0.891619     -0.035229      3.571582
  C      -2.113306     -1.808020      2.175002
  C      -3.655061     -1.931153      2.417689
  C      -4.450418     -1.215194      1.308638
  C      -4.045397     -1.256788      3.735840
  C      -7.199369     -5.651700      6.862388
  C      -8.128500     -5.187128      6.008075
  C      -9.183743     -4.221247      6.462995
  C      -8.224228     -5.643957      4.573222
  C      -7.254119     -4.980148      3.526000
  C      -7.824983     -5.284097      2.124254
  C      -7.277826     -3.456896      3.674819
  C      -3.071581     -5.259660      8.602469
  C      -2.727590     -5.930345      7.489062
  C      -3.638335     -6.964305      6.887729
  C      -1.400726     -5.703467      6.807325
  C      -1.368748     -4.715443      5.596231
  C       0.097630     -4.612386      5.113705
  C      -1.728707     -3.313615      6.086639
  H      -1.071912      1.410052      1.271775
  H      -1.913470      0.114601      0.235214
  H      -1.600057     -0.133315      4.409989
  H      -0.514330      0.995657      3.552694
  H      -0.046931     -0.708696      3.802410
  H      -1.630742     -2.461164      2.920003
  H      -1.898665     -2.236731      1.184642
  H      -4.272682     -0.134030      1.367272
  H      -5.527968     -1.393595      1.435764
  H      -4.165912     -1.535413      0.299445
  H      -5.126169     -1.371973      3.908820
  H      -3.507741     -1.674323      4.594283
  H      -3.823522     -0.183846      3.673252
  H      -6.446902     -6.379681      6.561186
  H      -7.222791     -5.366766      7.919255
  H     -10.179238     -4.695106      6.401115
  H      -9.223223     -3.338469      5.808694
  H      -9.027409     -3.890023      7.499341
  H      -8.078954     -6.732267      4.519752
  H      -9.251455     -5.452351      4.229416
  H      -7.890863     -6.359205      1.910865
  H      -7.200407     -4.812519      1.353501
  H      -8.840432     -4.873030      2.038673
  H      -8.285159     -3.078831      3.458690
  H      -7.017089     -3.129936      4.684114
  H      -6.571399     -2.994216      2.974117
  H      -4.017852     -5.454995      9.113949
  H      -2.397772     -4.534397      9.064027
  H      -4.010198     -6.613818      5.911367
  H      -3.100947     -7.907071      6.701108
  H      -4.505388     -7.171128      7.528376
  H      -0.683295     -5.303176      7.539759
  H      -0.999321     -6.675141      6.472323
  H       0.545142     -5.586192      4.880563
  H       0.706086     -4.155179      5.904144
  H       0.164892     -3.971402      4.221637
  H      -2.704171     -3.299146      6.582824
  H      -0.974864     -2.980852      6.816317
  H      -1.735747     -2.596761      5.249688
  N      -4.646232     -3.804700      5.546476
  N      -5.258136     -3.115171      6.582393
  H      -6.150093     -3.634950      6.822237
  H      -4.654509     -3.094589      7.426126
  H      -5.516644     -2.131989      6.348638
88
Coordinates from ORCA-job orca E -5477.167530055732
  N      -3.967908     -3.397640      2.449138
  C      -3.927108     -4.064785      1.132609
  C      -3.109616     -5.345348      1.212968
  N      -3.623727     -6.154896      2.344810
  C      -4.845101     -6.924779      1.996973
  C      -5.715002     -6.917653      3.245571
  N      -5.875418     -5.529522      3.644934
  Mo     -4.107482     -4.575705      4.007370
  N      -2.252117     -5.213117      4.483416
  C      -1.603622     -6.270958      3.705001
  C      -2.623119     -7.066879      2.934983
  H      -1.056398     -6.969253      4.361303
  H      -0.852454     -5.841200      3.017356
  H      -3.166084     -7.731911      3.620990
  H      -2.146901     -7.689866      2.156482
  H      -6.676331     -7.416982      3.054413
  H      -5.226401     -7.506221      4.044245
  H      -5.369267     -6.410738      1.182166
  H      -4.567250     -7.935361      1.651967
  H      -3.482796     -3.422070      0.361069
  H      -4.955219     -4.293903      0.795585
  H      -2.060774     -5.096831      1.421926
  H      -3.151773     -5.920754      0.271217
  C      -1.553200      0.434225      1.205265
  C      -1.559194     -0.388612      2.265798
  C      -0.950619      0.015528      3.582120
  C      -2.129690     -1.785813      2.184722
  C      -3.667365     -1.937205      2.423107
  C      -4.473534     -1.233781      1.313831
  C      -4.075226     -1.276239      3.742650
  C      -7.194888     -5.581164      6.862784
  C      -8.127378     -5.138546      5.999480
  C      -9.194839     -4.175343      6.436174
  C      -8.213784     -5.621752      4.573842
  C      -7.242276     -4.973967      3.521827
  C      -7.826587     -5.271065      2.121306
  C      -7.248486     -3.452233      3.673341
  C      -3.082477     -5.228177      8.580523
  C      -2.733747     -5.923202      7.482729
  C      -3.640561     -6.971128      6.895279
  C      -1.401385     -5.716434      6.809759
  C      -1.356421     -4.737233      5.594055
  C       0.108002     -4.670774      5.099159
  C      -1.676798     -3.322982      6.077143
  H      -1.140279      1.441939      1.271390
  H      -1.951293      0.125641      0.235798
  H      -1.664459     -0.083293      4.416385
  H      -0.586337      1.050427      3.557560
  H      -0.100406     -0.645356      3.826819
  H      -1.636657     -2.428485      2.931739
  H      -1.905308     -2.211861      1.195106
  H      -4.309585     -0.150622      1.368969
  H      -5.547293     -1.425725      1.445399
  H      -4.188349     -1.553185      0.303791
  H      -5.152749     -1.415463      3.914217
  H      -3.526085     -1.685042      4.600138
  H      -3.877101     -0.198035      3.683434
  H      -6.433769     -6.304605      6.570404
  H      -7.219270     -5.281498      7.914791
  H     -10.186416     -4.654853      6.369880
  H      -9.235577     -3.296685      5.774157
  H      -9.050253     -3.834909      7.471281
  H      -8.063638     -6.710318      4.538227
  H      -9.240096     -5.440987      4.219610
  H      -7.912500     -6.343950      1.911758
  H      -7.198151     -4.814354      1.344992
  H      -8.833964     -4.843244      2.038275
  H      -8.267142     -3.065834      3.489147
  H      -6.946896     -3.128444      4.682245
  H      -6.561735     -2.996077      2.942708
  H      -4.031863     -5.413145      9.087990
  H      -2.409420     -4.494592      9.033393
  H      -4.015483     -6.631836      5.913389
  H      -3.099246     -7.915363      6.722914
  H      -4.505923     -7.172300      7.539610
  H      -0.682002     -5.321447      7.543164
  H      -1.010671     -6.694135      6.482413
  H       0.530421     -5.655139      4.865409
  H       0.733866     -4.224366      5.884004
  H       0.181152     -4.035944      4.204855
  H      -2.643407     -3.281375      6.593697
  H      -0.897885     -2.995794      6.790096
  H      -1.683942     -2.619762      5.230607
  N      -4.637214     -3.837580      5.559305
  N      -5.249590     -3.167094      6.611129
  H      -6.156293     -3.670940      6.825350
  H      -4.658922     -3.202084      7.468051
  H      -5.466251     -2.168865      6.412950
88
Coordinates from ORCA-job orca E -5477.168262188255
  N      -3.960265     -3.404815      2.467265
  C      -3.915315     -4.058515      1.149788
  C      -3.100670     -5.342049      1.224285
  N      -3.611920     -6.162526      2.347084
  C      -4.835075     -6.929261      1.996067
  C      -5.705717     -6.932157      3.242149
  N      -5.864338     -5.547187      3.651915
  Mo     -4.102065     -4.604466      4.028263
  N      -2.244693     -5.239528      4.498166
  C      -1.591031     -6.283980      3.708177
  C      -2.609584     -7.076527      2.929826
  H      -1.037074     -6.985421      4.355107
  H      -0.843085     -5.843603      3.021549
  H      -3.150725     -7.750202      3.608552
  H      -2.131629     -7.690242      2.145629
  H      -6.667002     -7.426548      3.040698
  H      -5.222396     -7.530686      4.035884
  H      -5.361401     -6.408808      1.186779
  H      -4.560127     -7.938592      1.643119
  H      -3.461247     -3.409609      0.387532
  H      -4.941631     -4.280193      0.802631
  H      -2.051536     -5.093167      1.434189
  H      -3.141202     -5.908683      0.276917
  C      -1.644726      0.461044      1.181375
  C      -1.597951     -0.366437      2.229648
  C      -0.934646      0.038587      3.516004
  C      -2.160040     -1.768989      2.157447
  C      -3.684097     -1.941060      2.454589
  C      -4.541138     -1.239504      1.388098
  C      -4.047243     -1.306337      3.799173
  C      -7.232455     -5.497491      6.857753
  C      -8.154825     -5.078382      5.971315
  C      -9.231245     -4.107725      6.368919
  C      -8.214991     -5.597633      4.557648
  C      -7.222974     -4.976848      3.513977
  C      -7.795453     -5.277853      2.107238
  C      -7.206209     -3.455875      3.648692
  C      -3.107083     -5.210849      8.563635
  C      -2.742118     -5.924293      7.482666
  C      -3.632470     -6.991099      6.905623
  C      -1.402340     -5.724794      6.823221
  C      -1.350054     -4.751809      5.601655
  C       0.116202     -4.688176      5.112521
  C      -1.673814     -3.333113      6.072874
  H      -1.236275      1.473072      1.238392
  H      -2.083948      0.152595      0.232121
  H      -1.608306     -0.069333      4.375994
  H      -0.577131      1.077372      3.486627
  H      -0.075508     -0.614024      3.716027
  H      -1.629580     -2.412656      2.874455
  H      -1.974020     -2.183897      1.154749
  H      -4.379060     -0.154937      1.445391
  H      -5.609014     -1.441283      1.566504
  H      -4.298932     -1.553410      0.362714
  H      -5.114440     -1.462253      4.012664
  H      -3.458968     -1.721033      4.625248
  H      -3.860475     -0.225657      3.747860
  H      -6.466662     -6.223817      6.587636
  H      -7.266910     -5.175301      7.902972
  H     -10.221713     -4.586347      6.293449
  H      -9.260906     -3.239737      5.690681
  H      -9.104448     -3.749509      7.400123
  H      -8.062816     -6.686706      4.550567
  H      -9.233099     -5.427388      4.175976
  H      -7.903941     -6.350478      1.909593
  H      -7.145927     -4.846954      1.334398
  H      -8.790998     -4.828453      2.003859
  H      -8.206377     -3.063750      3.439606
  H      -6.916165     -3.122096      4.651181
  H      -6.506544     -3.019980      2.932885
  H      -4.059103     -5.400054      9.066427
  H      -2.442166     -4.467127      9.012360
  H      -4.009216     -6.662259      5.919759
  H      -3.077062     -7.929850      6.747502
  H      -4.496626     -7.196441      7.550330
  H      -0.687811     -5.329637      7.561217
  H      -1.010992     -6.704590      6.504526
  H       0.539212     -5.673229      4.882923
  H       0.737329     -4.239696      5.899540
  H       0.193371     -4.054695      4.217684
  H      -2.642543     -3.280388      6.563474
  H      -0.912901     -3.010585      6.793737
  H      -1.659765     -2.633977      5.232111
  N      -4.608217     -3.890095      5.596256
  N      -5.210447     -3.240051      6.667142
  H      -6.124823     -3.728995      6.874580
  H      -4.622033     -3.339098      7.521641
  H      -5.384947     -2.226716      6.509407
88
Coordinates from ORCA-job orca E -5477.168749533103
  N      -3.949797     -3.407886      2.451771
  C      -3.895569     -4.060137      1.135385
  C      -3.092756     -5.350638      1.216292
  N      -3.613180     -6.168686      2.335106
  C      -4.840008     -6.926692      1.979839
  C      -5.713966     -6.929989      3.223764
  N      -5.864922     -5.546407      3.641088
  Mo     -4.101979     -4.609887      4.019354
  N      -2.247285     -5.251969      4.489620
  C      -1.597325     -6.301031      3.703389
  C      -2.618451     -7.088342      2.921651
  H      -1.048819     -7.004747      4.352739
  H      -0.845593     -5.868244      3.017022
  H      -3.166044     -7.758337      3.599126
  H      -2.141017     -7.705504      2.139774
  H      -6.677911     -7.417731      3.017369
  H      -5.235760     -7.535713      4.015040
  H      -5.362125     -6.400677      1.171537
  H      -4.571053     -7.936659      1.624529
  H      -3.425179     -3.414938      0.379456
  H      -4.919443     -4.271811      0.774130
  H      -2.043499     -5.107862      1.431359
  H      -3.131175     -5.915366      0.267868
  C      -1.587316      0.454757      1.177018
  C      -1.594241     -0.359633      2.247256
  C      -0.997246      0.061560      3.563581
  C      -2.150379     -1.764762      2.173779
  C      -3.681719     -1.941940      2.440923
  C      -4.523670     -1.242679      1.358873
  C      -4.069140     -1.312340      3.781865
  C      -7.212710     -5.496164      6.874257
  C      -8.141250     -5.081220      5.990006
  C      -9.212356     -4.104464      6.386283
  C      -8.204893     -5.604605      4.576878
  C      -7.225184     -4.973162      3.522271
  C      -7.814276     -5.262922      2.119149
  C      -7.211308     -3.451475      3.669083
  C      -3.132848     -5.166015      8.540587
  C      -2.755442     -5.898824      7.476512
  C      -3.631233     -6.987024      6.919357
  C      -1.411573     -5.705193      6.821830
  C      -1.352415     -4.749081      5.585440
  C       0.116266     -4.691117      5.104380
  C      -1.676303     -3.322353      6.032444
  H      -1.182879      1.468254      1.234533
  H      -1.975993      0.132070      0.208375
  H      -1.722748     -0.024555      4.393981
  H      -0.631260      1.098757      3.526739
  H      -0.146719     -0.599553      3.826994
  H      -1.634005     -2.403801      2.908615
  H      -1.936308     -2.184296      1.178703
  H      -4.365339     -0.157191      1.412655
  H      -5.592909     -1.444620      1.522752
  H      -4.265093     -1.560631      0.340170
  H      -5.137728     -1.471126      3.980903
  H      -3.490768     -1.728994      4.614491
  H      -3.885720     -0.231151      3.736679
  H      -6.451389     -6.225804      6.600876
  H      -7.241671     -5.173209      7.919499
  H     -10.202711     -4.578211      6.317319
  H      -9.242829     -3.241210      5.703411
  H      -9.078782     -3.741514      7.412459
  H      -8.038565     -6.692616      4.571896
  H      -9.228186     -5.444857      4.200447
  H      -7.930986     -6.335470      1.918976
  H      -7.168887     -4.832152      1.340230
  H      -8.809593     -4.805779      2.028436
  H      -8.222389     -3.058710      3.484647
  H      -6.898918     -3.125809      4.669605
  H      -6.528224     -3.006475      2.934227
  H      -4.083450     -5.359740      9.045727
  H      -2.475403     -4.413117      8.980896
  H      -4.012619     -6.679476      5.929513
  H      -3.062890     -7.919895      6.779270
  H      -4.491317     -7.192480      7.569352
  H      -0.700831     -5.301797      7.558840
  H      -1.019106     -6.688923      6.517059
  H       0.540680     -5.677759      4.888148
  H       0.731053     -4.234322      5.889772
  H       0.199273     -4.065824      4.204449
  H      -2.645415     -3.258941      6.517261
  H      -0.917732     -2.991583      6.748202
  H      -1.658448     -2.634201      5.181777
  N      -4.596004     -3.915828      5.600716
  N      -5.193560     -3.288328      6.686188
  H      -6.139825     -3.735374      6.841887
  H      -4.638360     -3.484667      7.548077
  H      -5.293655     -2.260033      6.584196
88
Coordinates from ORCA-job orca E -5477.169184906802
  N      -3.924844     -3.415480      2.441696
  C      -3.869351     -4.072420      1.127834
  C      -3.081099     -5.369993      1.217305
  N      -3.613159     -6.178872      2.336559
  C      -4.845754     -6.924192      1.978571
  C      -5.724942     -6.919828      3.219899
  N      -5.862949     -5.535511      3.641984
  Mo     -4.091131     -4.613019      4.019228
  N      -2.239173     -5.267861      4.487387
  C      -1.601860     -6.329993      3.709332
  C      -2.629817     -7.107721      2.928465
  H      -1.065499     -7.038259      4.364707
  H      -0.842949     -5.913888      3.022578
  H      -3.186693     -7.768757      3.608035
  H      -2.156889     -7.733761      2.150579
  H      -6.693446     -7.397803      3.009619
  H      -5.255052     -7.531809      4.012036
  H      -5.359603     -6.392822      1.168304
  H      -4.586069     -7.936434      1.624434
  H      -3.385791     -3.435579      0.372896
  H      -4.892863     -4.274554      0.758859
  H      -2.030751     -5.135963      1.435107
  H      -3.121433     -5.936394      0.270429
  C      -1.641955      0.496112      1.197158
  C      -1.617738     -0.329835      2.253497
  C      -1.021144      0.088177      3.571117
  C      -2.143542     -1.741824      2.163755
  C      -3.673725     -1.946193      2.421199
  C      -4.516555     -1.265755      1.326777
  C      -4.080268     -1.314373      3.755648
  C      -7.274474     -5.551876      6.887878
  C      -8.170931     -5.104658      5.987148
  C      -9.227290     -4.110693      6.370798
  C      -8.210009     -5.605419      4.564121
  C      -7.219135     -4.953299      3.526928
  C      -7.802614     -5.211085      2.115959
  C      -7.198620     -3.432900      3.704932
  C      -3.133428     -5.119651      8.540742
  C      -2.754785     -5.872409      7.488591
  C      -3.627273     -6.974234      6.955582
  C      -1.408971     -5.695088      6.829813
  C      -1.338418     -4.760282      5.576551
  C       0.131552     -4.729852      5.097923
  C      -1.638669     -3.320838      6.002092
  H      -1.263811      1.515227      1.266505
  H      -2.034343      0.176880      0.228936
  H      -1.724439     -0.043160      4.401664
  H      -0.700384      1.130916      3.555835
  H      -0.147198     -0.534328      3.811293
  H      -1.617588     -2.378196      2.894717
  H      -1.917755     -2.144492      1.166540
  H      -4.373876     -0.179091      1.370286
  H      -5.581600     -1.479041      1.484296
  H      -4.246032     -1.589550      0.314827
  H      -5.147122     -1.486699      3.949055
  H      -3.500582     -1.718845      4.596020
  H      -3.913427     -0.230018      3.705333
  H      -6.528321     -6.297358      6.619483
  H      -7.324393     -5.247667      7.938602
  H     -10.226537     -4.563064      6.269297
  H      -9.220339     -3.239705      5.698456
  H      -9.109197     -3.763742      7.405116
  H      -8.040395     -6.692818      4.546014
  H      -9.227626     -5.441294      4.176723
  H      -7.932128     -6.279640      1.896624
  H      -7.146875     -4.774824      1.348241
  H      -8.791526     -4.738353      2.029290
  H      -8.209100     -3.028127      3.531929
  H      -6.881791     -3.128432      4.710639
  H      -6.515727     -2.977087      2.972890
  H      -4.079515     -5.312702      9.056866
  H      -2.475331     -4.362398      8.969343
  H      -4.012907     -6.689913      5.961728
  H      -3.054817     -7.905568      6.831642
  H      -4.483183     -7.170662      7.614918
  H      -0.695298     -5.286865      7.562255
  H      -1.025026     -6.686263      6.537158
  H       0.542749     -5.724526      4.892641
  H       0.750969     -4.272981      5.880396
  H       0.224853     -4.114502      4.191866
  H      -2.607291     -3.232432      6.505002
  H      -0.856672     -2.984465      6.702511
  H      -1.625547     -2.648949      5.131385
  N      -4.570115     -3.925170      5.609431
  N      -5.160018     -3.315869      6.706425
  H      -6.117776     -3.751805      6.845054
  H      -4.606588     -3.562882      7.559049
  H      -5.237565     -2.281502      6.637605
88
Coordinates from ORCA-job orca E -5477.169690199800
  N      -3.934854     -3.402395      2.447958
  C      -3.879162     -4.055272      1.133040
  C      -3.085188     -5.350603      1.220254
  N      -3.615259     -6.163383      2.336836
  C      -4.842974     -6.912798      1.973237
  C      -5.728201     -6.916919      3.211047
  N      -5.871244     -5.535000      3.638367
  Mo     -4.102961     -4.606442      4.023285
  N      -2.248022     -5.248576      4.492153
  C      -1.606177     -6.308522      3.715450
  C      -2.629803     -7.088126      2.929762
  H      -1.072005     -7.018363      4.371624
  H      -0.843849     -5.891037      3.032329
  H      -3.186024     -7.751698      3.607040
  H      -2.152002     -7.711979      2.152916
  H      -6.694209     -7.396309      2.993535
  H      -5.260307     -7.530394      4.003404
  H      -5.356153     -6.380633      1.162961
  H      -4.578265     -7.923132      1.615855
  H      -3.394294     -3.416348      0.380155
  H      -4.902038     -4.258374      0.761260
  H      -2.036149     -5.111355      1.439962
  H      -3.121684     -5.914976      0.271696
  C      -1.612326      0.479363      1.154633
  C      -1.582633     -0.345517      2.211187
  C      -0.941851      0.065242      3.508021
  C      -2.137760     -1.751778      2.135851
  C      -3.666962     -1.935519      2.430801
  C      -4.522858     -1.237850      1.358960
  C      -4.033755     -1.306381      3.778198
  C      -7.292954     -5.598611      6.881200
  C      -8.187450     -5.142221      5.982909
  C      -9.251611     -4.157311      6.376470
  C      -8.218351     -5.629260      4.554553
  C      -7.228871     -4.958870      3.524321
  C      -7.807389     -5.208074      2.110886
  C      -7.211205     -3.439515      3.714634
  C      -3.157771     -5.090113      8.544070
  C      -2.772201     -5.845907      7.495954
  C      -3.633353     -6.960200      6.971918
  C      -1.425222     -5.665599      6.838748
  C      -1.351191     -4.736627      5.580486
  C       0.120011     -4.716234      5.104890
  C      -1.646881     -3.293215      5.998966
  H      -1.209019      1.493476      1.210772
  H      -2.033739      0.164539      0.198935
  H      -1.634885     -0.035825      4.357471
  H      -0.583461      1.104570      3.474687
  H      -0.081712     -0.588404      3.730540
  H      -1.604088     -2.397931      2.850963
  H      -1.942682     -2.158764      1.132325
  H      -4.356384     -0.152325      1.400874
  H      -5.591135     -1.431220      1.541772
  H      -4.281269     -1.567948      0.340298
  H      -5.098769     -1.464228      3.996431
  H      -3.444901     -1.725381      4.601332
  H      -3.849993     -0.224861      3.731484
  H      -6.543729     -6.341317      6.603319
  H      -7.348467     -5.308282      7.936011
  H     -10.248275     -4.615096      6.261441
  H      -9.243397     -3.275046      5.716377
  H      -9.142454     -3.823910      7.418493
  H      -8.036835     -6.714717      4.528841
  H      -9.236534     -5.471213      4.166354
  H      -7.938770     -6.275662      1.885962
  H      -7.147996     -4.768892      1.348413
  H      -8.794608     -4.731955      2.024274
  H      -8.220799     -3.033358      3.545657
  H      -6.893528     -3.143663      4.721544
  H      -6.529604     -2.978431      2.985670
  H      -4.097780     -5.294288      9.068290
  H      -2.504658     -4.324914      8.967385
  H      -4.022290     -6.690005      5.975143
  H      -3.049748     -7.885467      6.857337
  H      -4.486226     -7.159806      7.633966
  H      -0.714573     -5.254450      7.572073
  H      -1.039249     -6.657017      6.548721
  H       0.525466     -5.714132      4.898767
  H       0.740736     -4.264144      5.889857
  H       0.219074     -4.099854      4.199289
  H      -2.615986     -3.194285      6.500385
  H      -0.862387     -2.957588      6.697787
  H      -1.629989     -2.625514      5.124700
  N      -4.585575     -3.937546      5.621336
  N      -5.176488     -3.367948      6.738238
  H      -6.122632     -3.829370      6.880377
  H      -4.597964     -3.625214      7.575933
  H      -5.279588     -2.334637      6.696324
88
Coordinates from ORCA-job orca E -5477.170096740808
  N      -3.929467     -3.406799      2.451308
  C      -3.872680     -4.058953      1.134971
  C      -3.080557     -5.354698      1.220986
  N      -3.614969     -6.166885      2.337043
  C      -4.843022     -6.912944      1.969527
  C      -5.733378     -6.917429      3.203040
  N      -5.870602     -5.535820      3.636706
  Mo     -4.098818     -4.614083      4.022363
  N      -2.243657     -5.251195      4.489153
  C      -1.605282     -6.316362      3.716969
  C      -2.631271     -7.092669      2.931261
  H      -1.079330     -7.030448      4.375422
  H      -0.836825     -5.905442      3.036534
  H      -3.189298     -7.754224      3.609371
  H      -2.154425     -7.718950      2.156304
  H      -6.700123     -7.390477      2.977239
  H      -5.273026     -7.536755      3.995409
  H      -5.352602     -6.376896      1.159072
  H      -4.580905     -7.922858      1.609279
  H      -3.386740     -3.419814      0.382787
  H      -4.895184     -4.261686      0.762414
  H      -2.031535     -5.115717      1.443405
  H      -3.116024     -5.918550      0.272041
  C      -1.635745      0.492355      1.154602
  C      -1.605922     -0.333135      2.211810
  C      -0.975034      0.080113      3.513860
  C      -2.149410     -1.742155      2.132606
  C      -3.675114     -1.939260      2.428559
  C      -4.536901     -1.255035      1.353896
  C      -4.046723     -1.306233      3.771781
  C      -7.296061     -5.602565      6.872039
  C      -8.179459     -5.125085      5.973577
  C      -9.222877     -4.118803      6.368281
  C      -8.218986     -5.611306      4.546067
  C      -7.222720     -4.951665      3.518067
  C      -7.799790     -5.194458      2.104413
  C      -7.184070     -3.435011      3.707609
  C      -3.156140     -5.080026      8.557343
  C      -2.774446     -5.836933      7.506478
  C      -3.632945     -6.958631      6.992598
  C      -1.429146     -5.658289      6.844537
  C      -1.350837     -4.738660      5.578814
  C       0.122520     -4.731152      5.109064
  C      -1.644558     -3.291173      5.985283
  H      -1.239758      1.508659      1.213018
  H      -2.049777      0.175848      0.195177
  H      -1.674955     -0.021043      4.360783
  H      -0.618901      1.121048      3.479023
  H      -0.112483     -0.572325      3.743805
  H      -1.610090     -2.386150      2.845011
  H      -1.952472     -2.144276      1.127212
  H      -4.378110     -0.169440      1.390060
  H      -5.602848     -1.455034      1.538487
  H      -4.294074     -1.588996      0.336707
  H      -5.111207     -1.468786      3.988138
  H      -3.458984     -1.718663      4.599585
  H      -3.869359     -0.223540      3.720386
  H      -6.565414     -6.363507      6.593928
  H      -7.346934     -5.312337      7.926939
  H     -10.228839     -4.556839      6.253310
  H      -9.197520     -3.236293      5.709191
  H      -9.105551     -3.788766      7.410515
  H      -8.046235     -6.696333      4.522136
  H      -9.234928     -5.444183      4.158030
  H      -7.950402     -6.258577      1.881519
  H      -7.130221     -4.769374      1.345145
  H      -8.776402     -4.700575      2.013257
  H      -8.182210     -3.016770      3.532971
  H      -6.864968     -3.143069      4.713031
  H      -6.493639     -2.987195      2.987027
  H      -4.086052     -5.292301      9.097758
  H      -2.499945     -4.310438      8.973607
  H      -4.022759     -6.703342      5.991332
  H      -3.044054     -7.882491      6.887877
  H      -4.483926     -7.155214      7.659113
  H      -0.717760     -5.243986      7.575876
  H      -1.045511     -6.651477      6.558233
  H       0.521103     -5.732930      4.908075
  H       0.744026     -4.280473      5.895322
  H       0.230140     -4.119395      4.201129
  H      -2.618093     -3.178809      6.461421
  H      -0.875578     -2.958455      6.695181
  H      -1.603798     -2.628918      5.113585
  N      -4.582027     -3.962244      5.622941
  N      -5.166009     -3.426746      6.757411
  H      -6.110023     -3.890344      6.894111
  H      -4.575021     -3.703983      7.585328
  H      -5.274643     -2.394027      6.741353
88
Coordinates from ORCA-job orca E -5477.170287415860
  N      -3.922719     -3.405764      2.442782
  C      -3.862468     -4.058778      1.126492
  C      -3.069816     -5.353842      1.217061
  N      -3.613346     -6.162539      2.331868
  C      -4.840011     -6.906678      1.956235
  C      -5.738580     -6.912087      3.183898
  N      -5.875063     -5.531333      3.619831
  Mo     -4.102276     -4.612020      4.011587
  N      -2.248857     -5.244123      4.488424
  C      -1.610709     -6.316284      3.726283
  C      -2.636086     -7.089592      2.935807
  H      -1.096233     -7.033065      4.391294
  H      -0.832683     -5.913573      3.051280
  H      -3.200917     -7.746472      3.613179
  H      -2.156561     -7.720982      2.166394
  H      -6.704872     -7.381686      2.949418
  H      -5.285054     -7.534396      3.978044
  H      -5.344242     -6.369301      1.143210
  H      -4.577189     -7.916474      1.595977
  H      -3.374964     -3.420865      0.374706
  H      -4.883501     -4.262881      0.750946
  H      -2.022133     -5.114847      1.445931
  H      -3.100093     -5.920035      0.269151
  C      -1.647211      0.505724      1.159630
  C      -1.595852     -0.335998      2.199286
  C      -0.941555      0.057819      3.495022
  C      -2.141612     -1.742842      2.106583
  C      -3.664621     -1.939542      2.417297
  C      -4.533403     -1.251617      1.350390
  C      -4.022221     -1.303352      3.761838
  C      -7.263143     -5.640004      6.861761
  C      -8.154167     -5.146435      5.978134
  C      -9.182781     -4.131397      6.393032
  C      -8.213506     -5.620505      4.548147
  C      -7.229903     -4.949402      3.513922
  C      -7.819502     -5.186431      2.104852
  C      -7.195872     -3.434020      3.715426
  C      -3.177087     -5.072075      8.571810
  C      -2.797508     -5.823376      7.516068
  C      -3.653663     -6.946983      7.006477
  C      -1.453868     -5.642855      6.853695
  C      -1.368601     -4.727640      5.584646
  C       0.110201     -4.715731      5.132966
  C      -1.673599     -3.280280      5.980168
  H      -1.250883      1.520909      1.228282
  H      -2.080169      0.204613      0.204660
  H      -1.619512     -0.067320      4.349788
  H      -0.596297      1.099609      3.476447
  H      -0.071688     -0.585869      3.692893
  H      -1.594580     -2.396780      2.802987
  H      -1.958538     -2.131627      1.093786
  H      -4.367126     -0.167044      1.384146
  H      -5.599588     -1.444770      1.544590
  H      -4.301910     -1.588659      0.331402
  H      -5.086246     -1.459789      3.985823
  H      -3.432861     -1.718543      4.586017
  H      -3.839420     -0.221919      3.708847
  H      -6.543025     -6.406722      6.569131
  H      -7.298087     -5.356531      7.918231
  H     -10.192732     -4.558726      6.291217
  H      -9.159043     -3.246143      5.738813
  H      -9.047853     -3.808080      7.433323
  H      -8.036544     -6.704519      4.513454
  H      -9.235692     -5.452085      4.174718
  H      -7.970822     -6.250300      1.879330
  H      -7.156413     -4.756000      1.341366
  H      -8.798420     -4.692578      2.024958
  H      -8.205951     -3.016022      3.569163
  H      -6.850836     -3.153866      4.719619
  H      -6.520770     -2.975567      2.977648
  H      -4.097742     -5.293133      9.121822
  H      -2.520115     -4.304969      8.988255
  H      -4.038450     -6.705156      6.001132
  H      -3.062579     -7.871188      6.913357
  H      -4.506483     -7.137694      7.670855
  H      -0.746108     -5.225720      7.585489
  H      -1.069013     -6.636396      6.570687
  H       0.514300     -5.716489      4.941189
  H       0.719696     -4.260403      5.923961
  H       0.227908     -4.106399      4.224899
  H      -2.653021     -3.167382      6.434727
  H      -0.922011     -2.944949      6.700222
  H      -1.618642     -2.619162      5.108901
  N      -4.593158     -3.960274      5.609278
  N      -5.171899     -3.447598      6.754337
  H      -6.104585     -3.928857      6.900869
  H      -4.557260     -3.715262      7.571771
  H      -5.308286     -2.418930      6.744594
88
Coordinates from ORCA-job orca E -5477.170594787779
  N      -3.913622     -3.407474      2.438954
  C      -3.851085     -4.061830      1.123893
  C      -3.061925     -5.359032      1.219297
  N      -3.614230     -6.163804      2.332615
  C      -4.842828     -6.902254      1.952855
  C      -5.744441     -6.905673      3.178413
  N      -5.876157     -5.525271      3.614801
  Mo     -4.100636     -4.612331      4.009447
  N      -2.248032     -5.250902      4.486864
  C      -1.616365     -6.329452      3.730512
  C      -2.646117     -7.096944      2.941194
  H      -1.108041     -7.048037      4.398562
  H      -0.834442     -5.934837      3.055497
  H      -3.217057     -7.747569      3.619076
  H      -2.170089     -7.733996      2.174285
  H      -6.712420     -7.369643      2.939153
  H      -5.296670     -7.531810      3.972907
  H      -5.342951     -6.362615      1.139047
  H      -4.582748     -7.912834      1.592961
  H      -3.360929     -3.425999      0.372322
  H      -4.871385     -4.264166      0.746051
  H      -2.014710     -5.124340      1.452449
  H      -3.090434     -5.926819      0.272550
  C      -1.652502      0.512745      1.151138
  C      -1.607295     -0.322148      2.200269
  C      -0.973070      0.085743      3.502957
  C      -2.139667     -1.734223      2.112158
  C      -3.663861     -1.940825      2.411222
  C      -4.527682     -1.260964      1.333223
  C      -4.039165     -1.303262      3.750342
  C      -7.278171     -5.670102      6.856356
  C      -8.159093     -5.157146      5.973279
  C      -9.177293     -4.134369      6.394086
  C      -8.216275     -5.615644      4.538575
  C      -7.228641     -4.938725      3.512228
  C      -7.815842     -5.166118      2.099947
  C      -7.189614     -3.424967      3.724229
  C      -3.171502     -5.050645      8.573820
  C      -2.798932     -5.811080      7.521299
  C      -3.661027     -6.937429      7.027450
  C      -1.457116     -5.640803      6.854112
  C      -1.365736     -4.733574      5.579950
  C       0.114398     -4.734519      5.129709
  C      -1.655433     -3.281139      5.966545
  H      -1.265859      1.531635      1.216413
  H      -2.070073      0.201780      0.191082
  H      -1.661103     -0.037139      4.352763
  H      -0.636214      1.129488      3.478439
  H      -0.099960     -0.551512      3.717195
  H      -1.593475     -2.380722      2.817531
  H      -1.943624     -2.126308      1.102267
  H      -4.366588     -0.175751      1.361223
  H      -5.593471     -1.456365      1.520334
  H      -4.287331     -1.602612      0.318332
  H      -5.104766     -1.462966      3.963112
  H      -3.456717     -1.715100      4.582157
  H      -3.861511     -0.221191      3.697997
  H      -6.564455     -6.440607      6.559439
  H      -7.315349     -5.397327      7.915205
  H     -10.191507     -4.548918      6.282830
  H      -9.139197     -3.242644      5.749843
  H      -9.044029     -3.824003      7.438592
  H      -8.042370     -6.700198      4.492076
  H      -9.236954     -5.440421      4.165243
  H      -7.971786     -6.228330      1.868383
  H      -7.148647     -4.734620      1.340259
  H      -8.792206     -4.667228      2.020329
  H      -8.193482     -3.002051      3.578620
  H      -6.843994     -3.151824      4.727788
  H      -6.512190     -2.966242      2.993312
  H      -4.087216     -5.266215      9.130872
  H      -2.510245     -4.284944      8.983246
  H      -4.046826     -6.710459      6.020000
  H      -3.072985     -7.864578      6.946277
  H      -4.513529     -7.115861      7.695197
  H      -0.746284     -5.223355      7.582434
  H      -1.078669     -6.638109      6.576123
  H       0.511700     -5.738936      4.944201
  H       0.726353     -4.279155      5.918512
  H       0.237104     -4.131082      4.218547
  H      -2.635409     -3.153636      6.429141
  H      -0.891600     -2.945145      6.680702
  H      -1.600595     -2.629143      5.084271
  N      -4.586032     -3.964568      5.614114
  N      -5.147068     -3.473535      6.777618
  H      -6.078362     -3.958359      6.929672
  H      -4.516974     -3.758822      7.579244
  H      -5.285971     -2.444947      6.790399
88
Coordinates from ORCA-job orca E -5477.170739473539
  N      -3.910279     -3.405601      2.438237
  C      -3.845053     -4.060983      1.123138
  C      -3.055090     -5.356772      1.222458
  N      -3.611033     -6.160697      2.335545
  C      -4.838494     -6.899844      1.951305
  C      -5.743839     -6.903800      3.173432
  N      -5.877333     -5.523607      3.610297
  Mo     -4.100832     -4.607927      4.007743
  N      -2.247824     -5.248785      4.488172
  C      -1.614969     -6.327327      3.732378
  C      -2.645019     -7.095037      2.944452
  H      -1.105848     -7.045210      4.400153
  H      -0.833259     -5.932355      3.057244
  H      -3.216500     -7.744308      3.622507
  H      -2.170960     -7.732488      2.177138
  H      -6.710565     -7.366665      2.928614
  H      -5.300167     -7.531888      3.968492
  H      -5.336314     -6.360125      1.136350
  H      -4.575813     -7.910142      1.592137
  H      -3.355179     -3.424331      0.371720
  H      -4.864989     -4.264727      0.745840
  H      -2.008870     -5.122113      1.459110
  H      -3.080709     -5.926741      0.277220
  C      -1.665735      0.524604      1.149694
  C      -1.612557     -0.315298      2.193984
  C      -0.969647      0.087751      3.493456
  C      -2.143184     -1.728233      2.102796
  C      -3.665747     -1.938276      2.407883
  C      -4.535780     -1.264600      1.331435
  C      -4.038942     -1.299507      3.746936
  C      -7.295920     -5.689854      6.856067
  C      -8.163743     -5.162861      5.969372
  C      -9.171818     -4.131102      6.389336
  C      -8.219426     -5.614734      4.533315
  C      -7.230111     -4.937528      3.509349
  C      -7.816970     -5.163772      2.096004
  C      -7.192203     -3.423908      3.720086
  C      -3.151865     -5.047782      8.590348
  C      -2.793532     -5.810140      7.533011
  C      -3.667737     -6.933331      7.051027
  C      -1.457113     -5.644355      6.854886
  C      -1.365917     -4.735185      5.581969
  C       0.114585     -4.743438      5.129068
  C      -1.647723     -3.281275      5.969643
  H      -1.280745      1.544101      1.218175
  H      -2.088686      0.217972      0.190927
  H      -1.652438     -0.038216      4.347559
  H      -0.632194      1.132429      3.470743
  H      -0.095219     -0.551747      3.698905
  H      -1.592404     -2.375944      2.803569
  H      -1.951085     -2.116670      1.090906
  H      -4.376821     -0.179063      1.356289
  H      -5.600093     -1.461882      1.523165
  H      -4.299227     -1.608503      0.316149
  H      -5.104223     -1.458587      3.960211
  H      -3.456592     -1.710849      4.579317
  H      -3.860600     -0.217515      3.693915
  H      -6.589819     -6.466869      6.563688
  H      -7.337340     -5.420208      7.915697
  H     -10.191273     -4.532685      6.269926
  H      -9.117993     -3.236574      5.751234
  H      -9.041548     -3.828710      7.437001
  H      -8.049723     -6.699803      4.480824
  H      -9.239421     -5.435296      4.160502
  H      -7.974232     -6.225563      1.862983
  H      -7.148675     -4.732303      1.337033
  H      -8.792901     -4.663773      2.015943
  H      -8.195691     -3.002399      3.577244
  H      -6.842295     -3.149984      4.719579
  H      -6.516332     -2.963629      2.988812
  H      -4.061747     -5.259920      9.158446
  H      -2.482678     -4.284407      8.993372
  H      -4.054843     -6.717519      6.041359
  H      -3.087094     -7.865890      6.979075
  H      -4.520894     -7.098435      7.722088
  H      -0.739627     -5.230113      7.579364
  H      -1.084415     -6.643121      6.574088
  H       0.506608     -5.750560      4.943068
  H       0.731258     -4.290695      5.916941
  H       0.237783     -4.141740      4.216352
  H      -2.631146     -3.142890      6.426956
  H      -0.883606     -2.950130      6.688859
  H      -1.583231     -2.631966      5.086266
  N      -4.592294     -3.961459      5.608448
  N      -5.145397     -3.484333      6.780295
  H      -6.097762     -3.932165      6.902127
  H      -4.542371     -3.823508      7.584126
  H      -5.241252     -2.453433      6.823058
88
Coordinates from ORCA-job orca E -5477.170893756276
  N      -3.909814     -3.407619      2.433980
  C      -3.842244     -4.062749      1.119310
  C      -3.049388     -5.355946      1.221886
  N      -3.608589     -6.158997      2.334386
  C      -4.835931     -6.898711      1.946637
  C      -5.744531     -6.905746      3.166714
  N      -5.879874     -5.526616      3.605262
  Mo     -4.104047     -4.612356      4.003542
  N      -2.247302     -5.249875      4.485924
  C      -1.614144     -6.329097      3.731677
  C      -2.645160     -7.095730      2.944263
  H      -1.104099     -7.046547      4.399253
  H      -0.832540     -5.934374      3.056164
  H      -3.217773     -7.743597      3.622170
  H      -2.173160     -7.734003      2.176302
  H      -6.710593     -7.367254      2.915661
  H      -5.304948     -7.536823      3.961649
  H      -5.332768     -6.358346      1.131589
  H      -4.570882     -7.908268      1.586968
  H      -3.355150     -3.424543      0.367575
  H      -4.861696     -4.269953      0.742916
  H      -2.004236     -5.120352      1.461545
  H      -3.071781     -5.928324      0.278132
  C      -1.669311      0.533437      1.161749
  C      -1.617801     -0.313597      2.201985
  C      -0.979997      0.081378      3.506900
  C      -2.145954     -1.726643      2.102144
  C      -3.668617     -1.939905      2.404602
  C      -4.540683     -1.267211      1.328176
  C      -4.043688     -1.302294      3.743280
  C      -7.304990     -5.714264      6.854468
  C      -8.159386     -5.167520      5.968212
  C      -9.149043     -4.120816      6.391042
  C      -8.222486     -5.613042      4.531134
  C      -7.233064     -4.940238      3.506764
  C      -7.821259     -5.169567      2.093879
  C      -7.194026     -3.427207      3.713915
  C      -3.144217     -5.038243      8.594189
  C      -2.794613     -5.805658      7.536940
  C      -3.679295     -6.925872      7.064403
  C      -1.461217     -5.645254      6.853072
  C      -1.367132     -4.736537      5.580049
  C       0.115093     -4.748745      5.129556
  C      -1.644313     -3.280909      5.963998
  H      -1.287306      1.553143      1.238300
  H      -2.087650      0.233067      0.198736
  H      -1.667359     -0.049511      4.358670
  H      -0.642230      1.126652      3.490176
  H      -0.104841     -0.561501      3.713369
  H      -1.595039     -2.377006      2.801003
  H      -1.951130     -2.109042      1.089101
  H      -4.384384     -0.181720      1.353653
  H      -5.604038     -1.466710      1.519992
  H      -4.304332     -1.609319      0.312768
  H      -5.109484     -1.460484      3.954172
  H      -3.462190     -1.714427      4.576284
  H      -3.864595     -0.220422      3.691359
  H      -6.613710     -6.502482      6.563206
  H      -7.340798     -5.445704      7.914487
  H     -10.176501     -4.501650      6.265944
  H      -9.075998     -3.223104      5.760433
  H      -9.016550     -3.829274      7.441719
  H      -8.062742     -6.698776      4.471741
  H      -9.242184     -5.424989      4.162009
  H      -7.980165     -6.231145      1.863697
  H      -7.153089     -4.741494      1.333744
  H      -8.796146     -4.669106      2.011994
  H      -8.200618     -3.007624      3.580930
  H      -6.830542     -3.153518      4.709487
  H      -6.524930     -2.966490      2.975316
  H      -4.051696     -5.246404      9.168328
  H      -2.471029     -4.273248      8.990962
  H      -4.064925     -6.718485      6.051188
  H      -3.106279     -7.864282      7.003463
  H      -4.535260     -7.077574      7.735043
  H      -0.739604     -5.232866      7.574949
  H      -1.092784     -6.645907      6.573006
  H       0.505306     -5.757700      4.948943
  H       0.732152     -4.293430      5.916032
  H       0.240048     -4.152076      4.213862
  H      -2.633409     -3.133622      6.399760
  H      -0.893674     -2.954529      6.696878
  H      -1.557753     -2.634295      5.082544
  N      -4.594709     -3.946284      5.598454
  N      -5.131070     -3.472415      6.779177
  H      -6.060516     -3.952915      6.940027
  H      -4.490439     -3.772065      7.569975
  H      -5.269462     -2.443587      6.809090
88
Coordinates from ORCA-job orca E -5477.170960024597
  N      -3.904938     -3.411283      2.430937
  C      -3.831477     -4.061651      1.115351
  C      -3.039568     -5.355135      1.218744
  N      -3.604271     -6.160159      2.326655
  C      -4.832256     -6.896586      1.932289
  C      -5.745721     -6.907178      3.148934
  N      -5.879449     -5.529748      3.591197
  Mo     -4.107139     -4.620873      3.998244
  N      -2.253049     -5.262866      4.488966
  C      -1.617344     -6.340621      3.735557
  C      -2.646278     -7.101885      2.939049
  H      -1.110246     -7.060148      4.403399
  H      -0.832274     -5.945319      3.063970
  H      -3.224828     -7.750305      3.612317
  H      -2.172180     -7.739423      2.171339
  H      -6.712061     -7.365041      2.890863
  H      -5.311837     -7.543443      3.942900
  H      -5.326409     -6.352516      1.117912
  H      -4.567501     -7.905072      1.569784
  H      -3.341123     -3.421166      0.367818
  H      -4.849102     -4.268242      0.733236
  H      -1.995394     -5.119880      1.463607
  H      -3.057259     -5.925732      0.273547
  C      -1.691828      0.545265      1.170710
  C      -1.623601     -0.309195      2.201873
  C      -0.972023      0.078738      3.501471
  C      -2.147979     -1.723052      2.096285
  C      -3.667916     -1.942540      2.409056
  C      -4.549351     -1.265729      1.343377
  C      -4.033554     -1.314724      3.754792
  C      -7.285843     -5.721269      6.850430
  C      -8.141772     -5.166099      5.970001
  C      -9.124235     -4.113743      6.402458
  C      -8.216048     -5.610019      4.531662
  C      -7.232370     -4.940536      3.500123
  C      -7.828196     -5.171826      2.089972
  C      -7.190419     -3.426696      3.704405
  C      -3.177192     -4.994345      8.572187
  C      -2.815471     -5.786232      7.537326
  C      -3.690096     -6.923478      7.084570
  C      -1.478584     -5.634175      6.861733
  C      -1.374996     -4.739536      5.580129
  C       0.109294     -4.755682      5.139539
  C      -1.650572     -3.279497      5.946361
  H      -1.313281      1.565901      1.251560
  H      -2.120953      0.250256      0.211319
  H      -1.645364     -0.066522      4.358523
  H      -0.643388      1.125344      3.493140
  H      -0.091315     -0.556631      3.689594
  H      -1.589291     -2.376076      2.785918
  H      -1.960286     -2.097561      1.079288
  H      -4.391765     -0.180125      1.370982
  H      -5.611474     -1.465497      1.544802
  H      -4.322746     -1.605247      0.324806
  H      -5.096608     -1.478797      3.975274
  H      -3.441828     -1.728981      4.579010
  H      -3.858287     -0.232003      3.707111
  H      -6.598883     -6.513527      6.552495
  H      -7.312514     -5.455031      7.912190
  H     -10.154276     -4.485230      6.276120
  H      -9.045823     -3.209534      5.778638
  H      -8.988612     -3.831727      7.456097
  H      -8.059469     -6.696899      4.469300
  H      -9.238121     -5.418656      4.168945
  H      -7.992767     -6.233573      1.864601
  H      -7.161555     -4.750120      1.324975
  H      -8.801119     -4.667546      2.010194
  H      -8.200731     -3.007829      3.587828
  H      -6.807266     -3.151993      4.694549
  H      -6.535129     -2.967039      2.952280
  H      -4.088571     -5.194454      9.141361
  H      -2.512332     -4.216027      8.958009
  H      -4.076396     -6.735310      6.068257
  H      -3.109767     -7.859228      7.045627
  H      -4.546242     -7.069169      7.755404
  H      -0.761176     -5.215255      7.583143
  H      -1.110012     -6.638187      6.595570
  H       0.500395     -5.765651      4.975194
  H       0.720550     -4.289462      5.922859
  H       0.239606     -4.171250      4.218248
  H      -2.641322     -3.126251      6.371298
  H      -0.905546     -2.946951      6.680528
  H      -1.555546     -2.641853      5.058757
  N      -4.592298     -3.957894      5.597805
  N      -5.115250     -3.495912      6.789744
  H      -6.049559     -3.964501      6.950599
  H      -4.476800     -3.823447      7.571512
  H      -5.232726     -2.464768      6.839406
88
Coordinates from ORCA-job orca E -5477.171067851200
  N      -3.905547     -3.410818      2.435963
  C      -3.832010     -4.057837      1.118538
  C      -3.037786     -5.348803      1.218135
  N      -3.600243     -6.155748      2.325523
  C      -4.827095     -6.894294      1.930765
  C      -5.741221     -6.907268      3.147305
  N      -5.877710     -5.530117      3.588928
  Mo     -4.107552     -4.621506      3.998593
  N      -2.254806     -5.265484      4.495322
  C      -1.614724     -6.337029      3.735984
  C      -2.640089     -7.097526      2.934170
  H      -1.105701     -7.058092      4.400538
  H      -0.830469     -5.935146      3.067151
  H      -3.217929     -7.750309      3.604533
  H      -2.163956     -7.730495      2.163925
  H      -6.706289     -7.367707      2.888972
  H      -5.306652     -7.542626      3.941572
  H      -5.322469     -6.350082      1.117172
  H      -4.560296     -7.901540      1.567065
  H      -3.345530     -3.414108      0.371515
  H      -4.849780     -4.267164      0.738218
  H      -1.993945     -5.111308      1.462895
  H      -3.054780     -5.918330      0.272198
  C      -1.705957      0.539764      1.151311
  C      -1.630341     -0.305276      2.190438
  C      -0.974610      0.096615      3.483844
  C      -2.149889     -1.721890      2.099761
  C      -3.668912     -1.941873      2.414626
  C      -4.550083     -1.267208      1.348018
  C      -4.034592     -1.312292      3.759811
  C      -7.262920     -5.694769      6.848806
  C      -8.127932     -5.149352      5.971526
  C      -9.114210     -4.098732      6.405321
  C      -8.210084     -5.603536      4.535982
  C      -7.231165     -4.942094      3.495832
  C      -7.830617     -5.184666      2.089069
  C      -7.190274     -3.425498      3.687360
  C      -3.164114     -5.035143      8.589431
  C      -2.810572     -5.813970      7.543523
  C      -3.692126     -6.939812      7.084375
  C      -1.476195     -5.660923      6.862372
  C      -1.377960     -4.750047      5.591371
  C       0.105699     -4.754112      5.150220
  C      -1.661531     -3.295844      5.975345
  H      -1.330049      1.562372      1.220925
  H      -2.138155      0.234607      0.195810
  H      -1.641912     -0.044989      4.346857
  H      -0.652064      1.144380      3.465831
  H      -0.091035     -0.533229      3.670632
  H      -1.590295     -2.366552      2.796223
  H      -1.960985     -2.106130      1.085480
  H      -4.393164     -0.180965      1.373816
  H      -5.611891     -1.467700      1.550483
  H      -4.323130     -1.608364      0.329529
  H      -5.096911     -1.478796      3.981664
  H      -3.440348     -1.723405      4.583947
  H      -3.861527     -0.229065      3.709098
  H      -6.570228     -6.484799      6.551018
  H      -7.281880     -5.420200      7.908968
  H     -10.142832     -4.474212      6.285904
  H      -9.042864     -3.195385      5.778546
  H      -8.975494     -3.812523      7.457285
  H      -8.055011     -6.691602      4.480131
  H      -9.234094     -5.413666      4.177043
  H      -7.993796     -6.248404      1.871605
  H      -7.167328     -4.767230      1.318817
  H      -8.804851     -4.683076      2.008684
  H      -8.199309     -3.009524      3.569237
  H      -6.806173     -3.141266      4.673596
  H      -6.538420     -2.971917      2.932098
  H      -4.075463     -5.237755      9.159612
  H      -2.494702     -4.269705      8.983619
  H      -4.077529     -6.746090      6.070571
  H      -3.119089     -7.879232      7.042272
  H      -4.548781     -7.082407      7.755039
  H      -0.753166     -5.254659      7.585213
  H      -1.112020     -6.662698      6.581089
  H       0.503136     -5.760980      4.978473
  H       0.713529     -4.289935      5.936862
  H       0.232157     -4.161941      4.232895
  H      -2.654018     -3.152615      6.407115
  H      -0.914407     -2.969011      6.711810
  H      -1.573879     -2.646945      5.092301
  N      -4.599544     -3.942410      5.590179
  N      -5.135597     -3.472980      6.772249
  H      -6.069358     -3.940501      6.925659
  H      -4.508636     -3.791368      7.565413
  H      -5.254222     -2.441982      6.811011
88
Coordinates from ORCA-job orca E -5477.171155982990
  N      -3.909678     -3.408413      2.436541
  C      -3.839847     -4.055125      1.117549
  C      -3.044714     -5.345899      1.214407
  N      -3.601120     -6.153980      2.324434
  C      -4.826842     -6.896353      1.933051
  C      -5.737493     -6.911720      3.152339
  N      -5.877702     -5.534206      3.594600
  Mo     -4.107269     -4.619679      3.998503
  N      -2.251740     -5.262564      4.490583
  C      -1.611105     -6.331872      3.727488
  C      -2.635636     -7.093911      2.927071
  H      -1.099589     -7.052859      4.390011
  H      -0.829374     -5.927205      3.057961
  H      -3.209156     -7.749946      3.597184
  H      -2.160434     -7.723010      2.153618
  H      -6.701063     -7.376536      2.897943
  H      -5.297802     -7.544201      3.946059
  H      -5.325268     -6.353124      1.120773
  H      -4.557454     -7.902757      1.568764
  H      -3.354383     -3.410972      0.370093
  H      -4.858886     -4.263245      0.739996
  H      -2.000277     -5.107407      1.455377
  H      -3.064765     -5.915498      0.268868
  C      -1.700143      0.544036      1.162610
  C      -1.627204     -0.305613      2.198321
  C      -0.968281      0.088446      3.492229
  C      -2.151011     -1.720960      2.102587
  C      -3.671505     -1.938610      2.415221
  C      -4.551084     -1.262684      1.348477
  C      -4.036523     -1.310090      3.761187
  C      -7.292489     -5.681134      6.860889
  C      -8.146619     -5.145456      5.968897
  C      -9.136220     -4.091307      6.379288
  C      -8.212672     -5.612998      4.538252
  C      -7.232813     -4.950167      3.498716
  C      -7.832893     -5.194735      2.093483
  C      -7.195981     -3.432427      3.687246
  C      -3.151583     -5.029937      8.592958
  C      -2.801114     -5.810265      7.546488
  C      -3.683131     -6.939444      7.095309
  C      -1.468468     -5.659267      6.858547
  C      -1.372110     -4.749223      5.586332
  C       0.111036     -4.759023      5.141938
  C      -1.650672     -3.293260      5.969380
  H      -1.320207      1.565325      1.235817
  H      -2.133757      0.244372      0.206470
  H      -1.637409     -0.052393      4.355413
  H      -0.638999      1.136070      3.476577
  H      -0.086746     -0.548128      3.677008
  H      -1.593813     -2.369219      2.797814
  H      -1.961272     -2.102618      1.087841
  H      -4.394185     -0.176483      1.375607
  H      -5.613400     -1.462869      1.549219
  H      -4.322467     -1.602903      0.330207
  H      -5.099344     -1.474007      3.982712
  H      -3.444209     -1.723925      4.584795
  H      -3.860435     -0.227369      3.712024
  H      -6.598166     -6.473732      6.579925
  H      -7.324928     -5.397236      7.917349
  H     -10.164520     -4.466688      6.252531
  H      -9.056007     -3.197591      5.744469
  H      -9.008622     -3.793342      7.427934
  H      -8.049775     -6.699603      4.493486
  H      -9.235658     -5.434219      4.171623
  H      -7.997720     -6.258672      1.877219
  H      -7.169893     -4.778344      1.322066
  H      -8.807104     -4.691940      2.014016
  H      -8.208512     -3.018737      3.574618
  H      -6.807825     -3.144684      4.670519
  H      -6.548997     -2.976628      2.925625
  H      -4.060583     -5.234234      9.168143
  H      -2.481034     -4.262285      8.983100
  H      -4.071861     -6.751388      6.081292
  H      -3.109252     -7.877971      7.055311
  H      -4.537708     -7.080652      7.770017
  H      -0.741034     -5.254816      7.578865
  H      -1.107300     -6.661626      6.574898
  H       0.505585     -5.767741      4.969600
  H       0.722526     -4.295937      5.927671
  H       0.237056     -4.167893      4.223073
  H      -2.646008     -3.141937      6.387805
  H      -0.911053     -2.970864      6.714308
  H      -1.548127     -2.645946      5.089700
  N      -4.598264     -3.942167      5.589871
  N      -5.128502     -3.477612      6.775617
  H      -6.065264     -3.943554      6.926958
  H      -4.499695     -3.806077      7.563644
  H      -5.242736     -2.445986      6.823607
88
Coordinates from ORCA-job orca E -5477.171216138406
  N      -3.912681     -3.407881      2.433611
  C      -3.842441     -4.053612      1.113609
  C      -3.046722     -5.344390      1.209863
  N      -3.602363     -6.152764      2.320238
  C      -4.827484     -6.896785      1.928848
  C      -5.737209     -6.913866      3.148702
  N      -5.879754     -5.536120      3.590616
  Mo     -4.111286     -4.620219      3.993862
  N      -2.256086     -5.263061      4.489502
  C      -1.613473     -6.330899      3.725869
  C      -2.635603     -7.092586      2.922283
  H      -1.102913     -7.052649      4.388396
  H      -0.830786     -5.924598      3.058626
  H      -3.209090     -7.750814      3.590230
  H      -2.158505     -7.719397      2.148140
  H      -6.699926     -7.381273      2.895797
  H      -5.295215     -7.544430      3.942655
  H      -5.327144     -6.353712      1.117145
  H      -4.556838     -7.902528      1.563804
  H      -3.357013     -3.408907      0.366876
  H      -4.861305     -4.261496      0.735627
  H      -2.002346     -5.105280      1.451065
  H      -3.066348     -5.913966      0.264278
  C      -1.695620      0.548158      1.178343
  C      -1.623775     -0.308692      2.207999
  C      -0.964349      0.074710      3.504923
  C      -2.150826     -1.722122      2.103632
  C      -3.672152     -1.937748      2.414340
  C      -4.551011     -1.257829      1.349510
  C      -4.034959     -1.311130      3.761677
  C      -7.282759     -5.692995      6.861112
  C      -8.135877     -5.149380      5.971916
  C      -9.115466     -4.087594      6.387121
  C      -8.210748     -5.615843      4.540448
  C      -7.236080     -4.955123      3.494229
  C      -7.840483     -5.206774      2.092516
  C      -7.200248     -3.436633      3.674751
  C      -3.158457     -5.009335      8.586943
  C      -2.806228     -5.800531      7.548645
  C      -3.686391     -6.936373      7.107655
  C      -1.473652     -5.654111      6.858966
  C      -1.375892     -4.747589      5.584508
  C       0.107480     -4.760011      5.140877
  C      -1.652828     -3.290241      5.963178
  H      -1.314167      1.567992      1.258612
  H      -2.129938      0.256102      0.220399
  H      -1.634583     -0.071761      4.366256
  H      -0.633398      1.121921      3.496710
  H      -0.082920     -0.564434      3.686395
  H      -1.595680     -2.375216      2.795971
  H      -1.960957     -2.098785      1.087642
  H      -4.393907     -0.172214      1.380197
  H      -5.613398     -1.457963      1.549186
  H      -4.322232     -1.594618      0.330513
  H      -5.097656     -1.474419      3.984776
  H      -3.441626     -1.726681      4.583602
  H      -3.857883     -0.228546      3.713460
  H      -6.597032     -6.491718      6.577542
  H      -7.310731     -5.411039      7.918644
  H     -10.147033     -4.453555      6.258879
  H      -9.027595     -3.191181      5.755513
  H      -8.984291     -3.795138      7.437633
  H      -8.049453     -6.702744      4.495142
  H      -9.235596     -5.435143      4.179828
  H      -8.008577     -6.271385      1.882945
  H      -7.179437     -4.796198      1.316478
  H      -8.813782     -4.702328      2.013600
  H      -8.213213     -3.025446      3.565675
  H      -6.807543     -3.142765      4.653553
  H      -6.559013     -2.984024      2.907364
  H      -4.067766     -5.209161      9.162521
  H      -2.489862     -4.233296      8.968838
  H      -4.076397     -6.757545      6.092113
  H      -3.110863     -7.874438      7.075692
  H      -4.540302     -7.073823      7.784353
  H      -0.744353     -5.250151      7.577729
  H      -1.115462     -6.657807      6.576892
  H       0.501843     -5.769428      4.973079
  H       0.718705     -4.293681      5.925071
  H       0.234522     -4.172910      4.219696
  H      -2.650550     -3.136226      6.375750
  H      -0.916052     -2.967499      6.711667
  H      -1.544056     -2.644939      5.082241
  N      -4.602584     -3.937425      5.582227
  N      -5.128584     -3.474564      6.770010
  H      -6.064096     -3.943176      6.926174
  H      -4.494222     -3.799406      7.556357
  H      -5.245727     -2.443668      6.818082
88
Coordinates from ORCA-job orca E -5477.171275093988
  N      -3.912097     -3.406770      2.435601
  C      -3.840808     -4.047033      1.112632
  C      -3.045614     -5.338744      1.203941
  N      -3.600563     -6.150109      2.312338
  C      -4.826010     -6.893925      1.920050
  C      -5.732880     -6.916336      3.141956
  N      -5.877779     -5.539554      3.586987
  Mo     -4.112261     -4.623931      3.990659
  N      -2.259215     -5.271871      4.491471
  C      -1.614143     -6.334785      3.723010
  C      -2.632686     -7.092291      2.910627
  H      -1.105760     -7.060371      4.383162
  H      -0.829586     -5.923795      3.060879
  H      -3.206930     -7.756702      3.571985
  H      -2.152217     -7.712397      2.133248
  H      -6.695080     -7.386477      2.891753
  H      -5.286431     -7.546062      3.933946
  H      -5.327818     -6.348086      1.111487
  H      -4.555357     -7.897915      1.550467
  H      -3.354117     -3.399463      0.369238
  H      -4.859272     -4.252531      0.732384
  H      -2.001030     -5.100334      1.445718
  H      -3.065409     -5.905270      0.256431
  C      -1.707527      0.552541      1.179027
  C      -1.629533     -0.303492      2.209084
  C      -0.966079      0.081855      3.503516
  C      -2.153928     -1.718137      2.107928
  C      -3.673901     -1.936051      2.421101
  C      -4.555940     -1.255189      1.360096
  C      -4.033902     -1.313499      3.771056
  C      -7.279238     -5.680544      6.867899
  C      -8.128278     -5.138246      5.973389
  C      -9.103271     -4.068842      6.380449
  C      -8.203761     -5.615460      4.545092
  C      -7.234808     -4.960790      3.489765
  C      -7.845881     -5.224101      2.093529
  C      -7.198277     -3.440841      3.658024
  C      -3.166149     -4.995334      8.580079
  C      -2.810532     -5.800131      7.553571
  C      -3.686112     -6.944723      7.127632
  C      -1.478163     -5.661608      6.861452
  C      -1.377546     -4.756256      5.586531
  C       0.106306     -4.770707      5.145698
  C      -1.652265     -3.297997      5.962926
  H      -1.327883      1.573101      1.256900
  H      -2.144936      0.258752      0.222708
  H      -1.632074     -0.067572      4.367833
  H      -0.639266      1.130082      3.494445
  H      -0.081797     -0.554019      3.680716
  H      -1.597224     -2.368910      2.800760
  H      -1.964455     -2.096513      1.092148
  H      -4.401474     -0.169480      1.393493
  H      -5.617192     -1.458252      1.561724
  H      -4.328497     -1.588671      0.339615
  H      -5.094916     -1.481431      3.998828
  H      -3.434613     -1.728218      4.589344
  H      -3.861054     -0.230150      3.723394
  H      -6.597651     -6.484761      6.590038
  H      -7.309502     -5.393978      7.924222
  H     -10.136353     -4.428208      6.245964
  H      -9.005245     -3.173717      5.747599
  H      -8.976259     -3.775101      7.431511
  H      -8.038684     -6.702094      4.508605
  H      -9.230103     -5.440659      4.186102
  H      -8.021398     -6.289655      1.895773
  H      -7.186941     -4.825367      1.309893
  H      -8.816386     -4.715018      2.014660
  H      -8.213682     -3.031576      3.561487
  H      -6.791073     -3.137218      4.628849
  H      -6.571074     -2.994486      2.875614
  H      -4.075986     -5.190705      9.155695
  H      -2.500482     -4.212898      8.953304
  H      -4.078279     -6.778382      6.111889
  H      -3.107214     -7.880922      7.105467
  H      -4.538095     -7.078104      7.807350
  H      -0.745252     -5.262713      7.578940
  H      -1.126464     -6.666995      6.578135
  H       0.501557     -5.780356      4.982632
  H       0.715115     -4.301162      5.929505
  H       0.235866     -4.186763      4.223127
  H      -2.653291     -3.140697      6.365712
  H      -0.921506     -2.978184      6.718232
  H      -1.533036     -2.652647      5.083013
  N      -4.600854     -3.935005      5.578452
  N      -5.126215     -3.477563      6.768161
  H      -6.061940     -3.947974      6.923748
  H      -4.490770     -3.805575      7.553023
  H      -5.241872     -2.446784      6.821508
88
Coordinates from ORCA-job orca E -5477.171302702746
  N      -3.912115     -3.404904      2.435124
  C      -3.840823     -4.043174      1.110971
  C      -3.046386     -5.335684      1.200167
  N      -3.600793     -6.147957      2.307835
  C      -4.826153     -6.891921      1.915790
  C      -5.730357     -6.917170      3.139438
  N      -5.877682     -5.540732      3.585963
  Mo     -4.113526     -4.623977      3.988090
  N      -2.261727     -5.273979      4.491562
  C      -1.615559     -6.334663      3.720953
  C      -2.631946     -7.090572      2.904407
  H      -1.108714     -7.062403      4.380021
  H      -0.829858     -5.921570      3.061714
  H      -3.205828     -7.759021      3.561839
  H      -2.148982     -7.706511      2.125271
  H      -6.692018     -7.389940      2.892530
  H      -5.279544     -7.545105      3.930244
  H      -5.329570     -6.345008      1.108994
  H      -4.555563     -7.895042      1.543758
  H      -3.352859     -3.394914      0.368971
  H      -4.859183     -4.246820      0.729510
  H      -2.001525     -5.098197      1.441766
  H      -3.067054     -5.900846      0.251889
  C      -1.707491      0.554117      1.182221
  C      -1.627918     -0.302790      2.211432
  C      -0.962003      0.081123      3.505046
  C      -2.152901     -1.717203      2.110115
  C      -3.673234     -1.934223      2.421976
  C      -4.554256     -1.252057      1.360634
  C      -4.033571     -1.312030      3.772042
  C      -7.278436     -5.676763      6.871825
  C      -8.127669     -5.137463      5.975090
  C      -9.104396     -4.067602      6.378986
  C      -8.200998     -5.619348      4.548329
  C      -7.235941     -4.964086      3.488916
  C      -7.850827     -5.231614      2.095295
  C      -7.200938     -3.443471      3.653383
  C      -3.165249     -4.988580      8.580730
  C      -2.811041     -5.798403      7.557790
  C      -3.685557     -6.947082      7.141222
  C      -1.480242     -5.664054      6.861129
  C      -1.378951     -4.758463      5.586349
  C       0.105113     -4.775273      5.146314
  C      -1.651227     -3.299567      5.961536
  H      -1.327114      1.574447      1.260054
  H      -2.146790      0.261283      0.226483
  H      -1.625543     -0.071164      4.370337
  H      -0.636942      1.129628      3.497243
  H      -0.076423     -0.553276      3.678918
  H      -1.597213     -2.368322      2.803631
  H      -1.962588     -2.095840      1.094630
  H      -4.399417     -0.165953      1.394655
  H      -5.615916     -1.454722      1.561726
  H      -4.326160     -1.585020      0.339890
  H      -5.094439     -1.480294      4.000196
  H      -3.433796     -1.726860      4.589926
  H      -3.861374     -0.228607      3.724381
  H      -6.594794     -6.480753      6.595309
  H      -7.310760     -5.388434      7.927419
  H     -10.136542     -4.427848      6.243258
  H      -9.005843     -3.173377      5.744954
  H      -8.979458     -3.771728      7.429339
  H      -8.029327     -6.705259      4.515835
  H      -9.228858     -5.451097      4.190081
  H      -8.029869     -6.297649      1.902164
  H      -7.193635     -4.837108      1.307624
  H      -8.820461     -4.720071      2.018210
  H      -8.216346     -3.035068      3.561145
  H      -6.789936     -3.135890      4.620873
  H      -6.579136     -2.999092      2.866484
  H      -4.072622     -5.183879      9.160871
  H      -2.499082     -4.204888      8.948706
  H      -4.079056     -6.788560      6.124833
  H      -3.105188     -7.882399      7.123057
  H      -4.536115     -7.077721      7.823335
  H      -0.743553     -5.269089      7.576975
  H      -1.133523     -6.670417      6.575553
  H       0.499981     -5.785306      4.985516
  H       0.713372     -4.304739      5.929908
  H       0.236473     -4.192950      4.223096
  H      -2.654433     -3.139509      6.358365
  H      -0.923604     -2.982180      6.721335
  H      -1.524988     -2.654260      5.082222
  N      -4.601752     -3.930031      5.574181
  N      -5.128962     -3.475157      6.763359
  H      -6.063600     -3.948369      6.918642
  H      -4.492457     -3.801460      7.548695
  H      -5.247016     -2.444920      6.817350
88
Coordinates from ORCA-job orca E -5477.171324839233
  N      -3.910477     -3.403166      2.436257
  C      -3.840108     -4.039817      1.111206
  C      -3.046725     -5.333306      1.197951
  N      -3.600705     -6.146882      2.304569
  C      -4.826445     -6.890156      1.913099
  C      -5.727853     -6.917954      3.138649
  N      -5.876629     -5.541949      3.587220
  Mo     -4.112852     -4.624344      3.987409
  N      -2.262638     -5.276625      4.492024
  C      -1.616009     -6.335416      3.719101
  C      -2.631120     -7.089856      2.899476
  H      -1.110230     -7.065337      4.376655
  H      -0.829543     -5.920497      3.062063
  H      -3.204137     -7.762442      3.553183
  H      -2.145932     -7.701801      2.118532
  H      -6.689564     -7.392183      2.894921
  H      -5.273086     -7.544937      3.927817
  H      -5.331270     -6.341830      1.108187
  H      -4.556827     -7.892585      1.538311
  H      -3.351203     -3.391122      0.370038
  H      -4.858632     -4.241606      0.729237
  H      -2.001397     -5.097399      1.438911
  H      -3.069020     -5.896670      0.248674
  C      -1.709414      0.554636      1.178161
  C      -1.628822     -0.299855      2.209318
  C      -0.962835      0.087559      3.501929
  C      -2.152632     -1.714778      2.111189
  C      -3.672280     -1.932715      2.424013
  C      -4.554705     -1.250592      1.363627
  C      -4.032009     -1.310833      3.774252
  C      -7.285199     -5.673252      6.876682
  C      -8.130085     -5.134835      5.975117
  C      -9.105392     -4.061723      6.372713
  C      -8.199426     -5.621098      4.550021
  C      -7.235347     -4.966162      3.489404
  C      -7.851216     -5.236145      2.096644
  C      -7.200836     -3.445506      3.651867
  C      -3.160864     -4.986848      8.581912
  C      -2.808770     -5.801063      7.561821
  C      -3.683417     -6.951788      7.152345
  C      -1.480224     -5.669569      6.860254
  C      -1.379083     -4.761975      5.586917
  C       0.105207     -4.779401      5.147181
  C      -1.650584     -3.303514      5.963867
  H      -1.329882      1.575386      1.253619
  H      -2.148859      0.259373      0.223090
  H      -1.625771     -0.063607      4.368134
  H      -0.638999      1.136433      3.491539
  H      -0.076511     -0.545574      3.676493
  H      -1.596219     -2.364006      2.805822
  H      -1.962406     -2.095423      1.096350
  H      -4.401716     -0.164428      1.399507
  H      -5.615798     -1.455391      1.564615
  H      -4.326583     -1.581180      0.342196
  H      -5.092508     -1.480223      4.003258
  H      -3.430975     -1.725142      4.591453
  H      -3.861248     -0.227213      3.726481
  H      -6.603091     -6.479450      6.604137
  H      -7.320651     -5.381759      7.931100
  H     -10.137871     -4.420039      6.233643
  H      -9.002428     -3.169360      5.736883
  H      -8.983298     -3.763629      7.422765
  H      -8.022597     -6.706194      4.521002
  H      -9.227401     -5.458082      4.190175
  H      -8.033195     -6.302317      1.906502
  H      -7.194113     -4.845056      1.307124
  H      -8.819580     -4.722130      2.019607
  H      -8.216411     -3.037178      3.562263
  H      -6.787674     -3.135877      4.617706
  H      -6.581691     -3.002045      2.862477
  H      -4.065858     -5.180329      9.165871
  H      -2.493824     -4.201579      8.944182
  H      -4.077656     -6.798548      6.135582
  H      -3.102147     -7.886567      7.135256
  H      -4.532855     -7.080595      7.836101
  H      -0.739892     -5.278473      7.574517
  H      -1.138000     -6.676573      6.571667
  H       0.500062     -5.789525      4.986242
  H       0.712957     -4.309532      5.931538
  H       0.237991     -4.196400      4.224496
  H      -2.655559     -3.142920      6.357784
  H      -0.924838     -2.989273      6.727128
  H      -1.520398     -2.656339      5.085957
  N      -4.600426     -3.927666      5.573103
  N      -5.132991     -3.475717      6.760824
  H      -6.066813     -3.951440      6.913111
  H      -4.498401     -3.800013      7.548896
  H      -5.253839     -2.445913      6.815013
88
Coordinates from ORCA-job orca E -5477.171346539777
  N      -3.907938     -3.401122      2.435252
  C      -3.838291     -4.037465      1.110146
  C      -3.046570     -5.332105      1.196173
  N      -3.601379     -6.146276      2.301712
  C      -4.827707     -6.888031      1.910476
  C      -5.727548     -6.917463      3.137190
  N      -5.876687     -5.541959      3.587904
  Mo     -4.112383     -4.623454      3.986106
  N      -2.263953     -5.277578      4.491172
  C      -1.617621     -6.336234      3.717890
  C      -2.632269     -7.089573      2.896570
  H      -1.113157     -7.067631      4.374928
  H      -0.830105     -5.921345      3.062212
  H      -3.204962     -7.764783      3.547615
  H      -2.145280     -7.699373      2.114911
  H      -6.689683     -7.391711      2.895280
  H      -5.270525     -7.544521      3.924932
  H      -5.332968     -6.338375      1.106754
  H      -4.559505     -7.890148      1.533599
  H      -3.348012     -3.389304      0.369283
  H      -4.856938     -4.237503      0.727609
  H      -2.000783     -5.098249      1.436910
  H      -3.070259     -5.894188      0.246149
  C      -1.706089      0.555986      1.176520
  C      -1.626884     -0.297553      2.208493
  C      -0.962096      0.091205      3.501290
  C      -2.150499     -1.712517      2.110680
  C      -3.670210     -1.931075      2.422922
  C      -4.552579     -1.249115      1.361873
  C      -4.031360     -1.309150      3.772731
  C      -7.290205     -5.676301      6.879775
  C      -8.132743     -5.137279      5.976059
  C      -9.109159     -4.064387      6.372522
  C      -8.199022     -5.623775      4.551293
  C      -7.235663     -4.966475      3.490863
  C      -7.851768     -5.236221      2.097967
  C      -7.201328     -3.446194      3.653964
  C      -3.157036     -4.981180      8.583833
  C      -2.808031     -5.799342      7.565886
  C      -3.683056     -6.952404      7.164487
  C      -1.482016     -5.670538      6.859196
  C      -1.380149     -4.762859      5.585867
  C       0.104474     -4.782997      5.146783
  C      -1.649115     -3.303879      5.962250
  H      -1.326438      1.576844      1.251565
  H      -2.144536      0.260036      0.221283
  H      -1.625466     -0.059535      4.366980
  H      -0.638630      1.140192      3.490192
  H      -0.075671     -0.541239      3.676958
  H      -1.593947     -2.361522      2.805598
  H      -1.959861     -2.093354      1.096049
  H      -4.400183     -0.162640      1.398381
  H      -5.613775     -1.454776      1.562204
  H      -4.323807     -1.578966      0.340198
  H      -5.092178     -1.478668      4.000342
  H      -3.431340     -1.723556      4.590619
  H      -3.861108     -0.225484      3.725492
  H      -6.608087     -6.483003      6.607865
  H      -7.327664     -5.384295      7.933890
  H     -10.141113     -4.423853      6.232999
  H      -9.006876     -3.172276      5.736364
  H      -8.988013     -3.765627      7.422384
  H      -8.016748     -6.707899      4.522371
  H      -9.227389     -5.465373      4.190452
  H      -8.035069     -6.302338      1.908428
  H      -7.194485     -4.845980      1.308128
  H      -8.819488     -4.720711      2.021182
  H      -8.216822     -3.037559      3.564806
  H      -6.787707     -3.136818      4.619667
  H      -6.581907     -3.002073      2.864942
  H      -4.058412     -5.173337      9.173667
  H      -2.488685     -4.194514      8.939631
  H      -4.077393     -6.805750      6.146697
  H      -3.100662     -7.886657      7.149740
  H      -4.531807     -7.078795      7.849418
  H      -0.738353     -5.281760      7.571357
  H      -1.143792     -6.678554      6.569408
  H       0.497711     -5.793915      4.986776
  H       0.712490     -4.313863      5.931433
  H       0.239400     -4.200542      4.224032
  H      -2.655022     -3.140834      6.352954
  H      -0.924802     -2.991981      6.728000
  H      -1.514382     -2.656864      5.084868
  N      -4.599235     -3.927120      5.572401
  N      -5.136626     -3.479254      6.759361
  H      -6.068700     -3.959138      6.909858
  H      -4.502199     -3.801230      7.548576
  H      -5.262464     -2.449829      6.814384
88
Coordinates from ORCA-job orca E -5477.171371929322
  N      -3.904918     -3.399326      2.434527
  C      -3.836227     -4.035512      1.109477
  C      -3.046202     -5.331157      1.194786
  N      -3.601921     -6.146177      2.299133
  C      -4.828708     -6.886399      1.908023
  C      -5.727874     -6.917343      3.135300
  N      -5.876998     -5.542365      3.588059
  Mo     -4.111715     -4.623232      3.985007
  N      -2.265330     -5.278697      4.489978
  C      -1.619064     -6.337242      3.716561
  C      -2.633490     -7.089669      2.894035
  H      -1.115289     -7.069741      4.372947
  H      -0.830784     -5.922450      3.061754
  H      -3.205867     -7.766981      3.543043
  H      -2.145041     -7.698116      2.112072
  H      -6.690278     -7.391019      2.893648
  H      -5.270032     -7.545314      3.921810
  H      -5.334253     -6.335506      1.105304
  H      -4.561827     -7.888257      1.529283
  H      -3.345304     -3.387880      0.368492
  H      -4.855104     -4.234418      0.726958
  H      -1.999978     -5.099231      1.435399
  H      -3.071096     -5.891870      0.243910
  C      -1.702569      0.556835      1.172452
  C      -1.625421     -0.294919      2.205970
  C      -0.963578      0.096600      3.499460
  C      -2.148341     -1.710126      2.108964
  C      -3.667737     -1.929699      2.422322
  C      -4.551007     -1.247362      1.362025
  C      -4.028656     -1.308306      3.772442
  C      -7.296648     -5.685216      6.881125
  C      -8.134447     -5.141587      5.975702
  C      -9.106924     -4.065088      6.371678
  C      -8.199720     -5.626304      4.550617
  C      -7.236046     -4.966562      3.491805
  C      -7.851692     -5.233711      2.097838
  C      -7.201708     -3.446655      3.657423
  C      -3.152486     -4.972735      8.585388
  C      -2.807419     -5.796533      7.570646
  C      -3.683549     -6.952118      7.179411
  C      -1.484247     -5.671161      6.858197
  C      -1.381846     -4.763588      5.584608
  C       0.103115     -4.785665      5.146150
  C      -1.649254     -3.304217      5.960699
  H      -1.323570      1.578029      1.246844
  H      -2.138982      0.259290      0.216793
  H      -1.628761     -0.052229      4.364079
  H      -0.640093      1.145603      3.486731
  H      -0.077497     -0.535440      3.678289
  H      -1.590742     -2.358679      2.803549
  H      -1.958320     -2.091073      1.094215
  H      -4.399052     -0.160791      1.399853
  H      -5.612058     -1.454188      1.562600
  H      -4.322633     -1.575845      0.339756
  H      -5.089714     -1.477689      3.999315
  H      -3.429348     -1.723477      4.590351
  H      -3.858208     -0.224616      3.726203
  H      -6.618719     -6.495570      6.610069
  H      -7.334130     -5.392393      7.935065
  H     -10.140125     -4.421521      6.232833
  H      -9.002720     -3.173620      5.735209
  H      -8.984252     -3.766634      7.421399
  H      -8.014801     -6.709874      4.519583
  H      -9.227948     -5.469503      4.188927
  H      -8.035170     -6.299521      1.906793
  H      -7.193859     -4.842331      1.309004
  H      -8.819136     -4.717479      2.021348
  H      -8.216954     -3.037533      3.567020
  H      -6.789178     -3.139446      4.624331
  H      -6.579868     -3.000674      2.871080
  H      -4.050258     -5.161287      9.181526
  H      -2.482811     -4.183440      8.932669
  H      -4.077542     -6.814088      6.160156
  H      -3.100546     -7.886272      7.170092
  H      -4.532085     -7.074231      7.865369
  H      -0.736788     -5.284746      7.567744
  H      -1.150296     -6.680345      6.567433
  H       0.494932     -5.797371      4.987501
  H       0.711380     -4.316686      5.930735
  H       0.239612     -4.204224      4.222938
  H      -2.655804     -3.139542      6.349392
  H      -0.925714     -2.994252      6.728071
  H      -1.511367     -2.657289      5.083613
  N      -4.598225     -3.928768      5.572605
  N      -5.141022     -3.486931      6.759315
  H      -6.070582     -3.972017      6.907789
  H      -4.506680     -3.805762      7.549932
  H      -5.273186     -2.458376      6.815388
88
Coordinates from ORCA-job orca E -5477.171407995694
  N      -3.901429     -3.397311      2.432816
  C      -3.833656     -4.033644      1.107921
  C      -3.045679     -5.330327      1.192910
  N      -3.602910     -6.146055      2.296062
  C      -4.830477     -6.884156      1.904776
  C      -5.729777     -6.916372      3.132190
  N      -5.877942     -5.542121      3.587260
  Mo     -4.111086     -4.622719      3.983298
  N      -2.267141     -5.280336      4.487654
  C      -1.621274     -6.339377      3.714652
  C      -2.635923     -7.090443      2.891176
  H      -1.118092     -7.072500      4.370779
  H      -0.832282     -5.925343      3.060228
  H      -3.208742     -7.768644      3.538906
  H      -2.146837     -7.698834      2.109420
  H      -6.692560     -7.388559      2.889037
  H      -5.272886     -7.546501      3.917546
  H      -5.335966     -6.331746      1.102994
  H      -4.565105     -7.885832      1.524369
  H      -3.342529     -3.386646      0.366541
  H      -4.852880     -4.231739      0.725832
  H      -1.999022     -5.100563      1.433772
  H      -3.071451     -5.889800      0.241232
  C      -1.696457      0.558544      1.170518
  C      -1.623046     -0.291945      2.205164
  C      -0.964994      0.101354      3.499956
  C      -2.145604     -1.707222      2.107351
  C      -3.665115     -1.927923      2.420739
  C      -4.548553     -1.245341      1.360637
  C      -4.027074     -1.307695      3.771155
  C      -7.300782     -5.699136      6.879791
  C      -8.134769     -5.148511      5.975068
  C      -9.103933     -4.069955      6.374834
  C      -8.200968     -5.628197      4.548576
  C      -7.236617     -4.965550      3.492000
  C      -7.851301     -5.229330      2.096657
  C      -7.201566     -3.446020      3.660407
  C      -3.144917     -4.956892      8.586651
  C      -2.806264     -5.789866      7.577194
  C      -3.685054     -6.948769      7.201966
  C      -1.486797     -5.671252      6.856643
  C      -1.383708     -4.764631      5.582162
  C       0.101496     -4.789164      5.144013
  C      -1.648694     -3.304373      5.957189
  H      -1.317613      1.579898      1.245195
  H      -2.129867      0.260027      0.213942
  H      -1.633100     -0.044946      4.362612
  H      -0.640119      1.150152      3.486277
  H      -0.080108     -0.531334      3.682838
  H      -1.587295     -2.356150      2.801127
  H      -1.955836     -2.087152      1.092264
  H      -4.397785     -0.158786      1.400114
  H      -5.609368     -1.454076      1.560393
  H      -4.319311     -1.572149      0.338093
  H      -5.088532     -1.477412      3.996183
  H      -3.429014     -1.723733      4.589561
  H      -3.856622     -0.223930      3.726456
  H      -6.626908     -6.512822      6.607513
  H      -7.337216     -5.407854      7.934391
  H     -10.138338     -4.424611      6.239019
  H      -9.000693     -3.177591      5.739505
  H      -8.977982     -3.773595      7.424935
  H      -8.015828     -6.711524      4.512831
  H      -9.229106     -5.470492      4.187005
  H      -8.033193     -6.294819      1.902899
  H      -7.192941     -4.835185      1.309809
  H      -8.819130     -4.713944      2.020209
  H      -8.216613     -3.036328      3.567193
  H      -6.790692     -3.141578      4.629202
  H      -6.575742     -2.998182      2.877708
  H      -4.038609     -5.138595      9.190836
  H      -2.473291     -4.163708      8.921603
  H      -4.078665     -6.824426      6.180716
  H      -3.102819     -7.883683      7.204415
  H      -4.533698     -7.062006      7.889430
  H      -0.733548     -5.288474      7.562124
  H      -1.159358     -6.682318      6.564933
  H       0.491661     -5.801978      4.988135
  H       0.710446     -4.319102      5.927444
  H       0.238867     -4.210349      4.219252
  H      -2.655499     -3.137285      6.343754
  H      -0.925791     -2.996046      6.725739
  H      -1.507257     -2.658433      5.079994
  N      -4.597341     -3.930357      5.572195
  N      -5.148131     -3.497867      6.758677
  H      -6.073724     -3.991893      6.903465
  H      -4.513731     -3.812113      7.551010
  H      -5.290499     -2.470656      6.816892
88
Coordinates from ORCA-job orca E -5477.171469075241
  N      -3.896586     -3.394283      2.431027
  C      -3.829713     -4.030536      1.106116
  C      -3.044369     -5.328527      1.190660
  N      -3.604205     -6.145019      2.292173
  C      -4.832673     -6.880084      1.899539
  C      -5.733512     -6.913972      3.126096
  N      -5.879833     -5.540939      3.584801
  Mo     -4.110446     -4.622475      3.981067
  N      -2.269934     -5.282963      4.484885
  C      -1.624536     -6.342827      3.712748
  C      -2.639733     -7.091355      2.887556
  H      -1.122721     -7.076789      4.368905
  H      -0.834124     -5.930139      3.059034
  H      -3.214288     -7.769178      3.534394
  H      -2.150750     -7.700964      2.106617
  H      -6.696404     -7.383609      2.878350
  H      -5.280079     -7.548191      3.910181
  H      -5.337572     -6.325315      1.098921
  H      -4.569023     -7.881447      1.517064
  H      -3.338601     -3.384078      0.364355
  H      -4.849363     -4.227836      0.724583
  H      -1.997365     -5.101253      1.432719
  H      -3.070315     -5.886528      0.238009
  C      -1.689460      0.559491      1.161900
  C      -1.620341     -0.287605      2.199560
  C      -0.968105      0.110548      3.495815
  C      -2.141884     -1.703388      2.103046
  C      -3.661035     -1.925057      2.419012
  C      -4.545702     -1.242052      1.360488
  C      -4.021483     -1.306214      3.770546
  C      -7.306098     -5.730627      6.872081
  C      -8.134138     -5.164396      5.971473
  C      -9.093075     -4.079959      6.380472
  C      -8.204293     -5.631213      4.541127
  C      -7.237569     -4.962679      3.490473
  C      -7.849668     -5.216724      2.091933
  C      -7.201216     -3.443887      3.668032
  C      -3.133372     -4.928194      8.589376
  C      -2.806030     -5.776584      7.589097
  C      -3.689846     -6.940019      7.241876
  C      -1.492138     -5.671904      6.855519
  C      -1.387210     -4.766648      5.579791
  C       0.098326     -4.794934      5.142510
  C      -1.649241     -3.304894      5.952683
  H      -1.311690      1.581393      1.235126
  H      -2.118838      0.257603      0.204553
  H      -1.640325     -0.031030      4.356055
  H      -0.642066      1.158961      3.479269
  H      -0.084710     -0.522237      3.685500
  H      -1.581781     -2.351957      2.795696
  H      -1.953850     -2.083042      1.087396
  H      -4.394993     -0.155396      1.400839
  H      -5.606348     -1.451979      1.561422
  H      -4.317198     -1.568264      0.337407
  H      -5.082980     -1.476165      3.995434
  H      -3.423702     -1.723470      4.588465
  H      -3.850472     -0.222389      3.727243
  H      -6.641494     -6.550696      6.595440
  H      -7.338969     -5.445199      7.928682
  H     -10.130759     -4.427818      6.250744
  H      -8.988954     -3.185719      5.748119
  H      -8.958979     -3.789165      7.431281
  H      -8.023522     -6.714868      4.494493
  H      -9.231799     -5.466422      4.181046
  H      -8.028225     -6.281124      1.889779
  H      -7.190097     -4.815050      1.310027
  H      -8.818489     -4.703250      2.016789
  H      -8.215114     -3.032227      3.569710
  H      -6.795234     -3.147018      4.641381
  H      -6.567931     -2.992043      2.893374
  H      -4.020549     -5.098488      9.206537
  H      -2.458407     -4.129797      8.904602
  H      -4.082237     -6.841167      6.217674
  H      -3.110662     -7.876635      7.269512
  H      -4.539371     -7.034696      7.931316
  H      -0.728783     -5.297474      7.554604
  H      -1.177264     -6.686247      6.561352
  H       0.486417     -5.809432      4.991421
  H       0.707946     -4.322388      5.923905
  H       0.236569     -4.220796      4.214920
  H      -2.656489     -3.134073      6.336385
  H      -0.926990     -2.998367      6.722440
  H      -1.503046     -2.660731      5.074862
  N      -4.596788     -3.932381      5.571424
  N      -5.157974     -3.519530      6.759652
  H      -6.075896     -4.029960      6.898802
  H      -4.520386     -3.827216      7.552472
  H      -5.318148     -2.495653      6.824171
88
Coordinates from ORCA-job orca E -5477.171600273864
  N      -3.890105     -3.388827      2.427849
  C      -3.825312     -4.024019      1.102207
  C      -3.044948     -5.324022      1.184501
  N      -3.608326     -6.141677      2.283833
  C      -4.839155     -6.871322      1.890437
  C      -5.740119     -6.908634      3.117475
  N      -5.882641     -5.537998      3.582709
  Mo     -4.108694     -4.621641      3.977274
  N      -2.274328     -5.289969      4.478881
  C      -1.630884     -6.350703      3.705989
  C      -2.647884     -7.093178      2.877560
  H      -1.130745     -7.086253      4.361321
  H      -0.839223     -5.939326      3.052909
  H      -3.225887     -7.769481      3.523382
  H      -2.161181     -7.704700      2.096764
  H      -6.703231     -7.374730      2.863212
  H      -5.291460     -7.549835      3.898540
  H      -5.344423     -6.311883      1.093217
  H      -4.578883     -7.871917      1.503757
  H      -3.334806     -3.377696      0.360172
  H      -4.845967     -4.219509      0.722127
  H      -1.997185     -5.101179      1.428038
  H      -3.071689     -5.879545      0.230304
  C      -1.671642      0.559760      1.156414
  C      -1.611975     -0.282710      2.197993
  C      -0.968144      0.120418      3.496693
  C      -2.134424     -1.698298      2.101549
  C      -3.654321     -1.919430      2.417180
  C      -4.538199     -1.234730      1.359514
  C      -4.015179     -1.303573      3.770009
  C      -7.304831     -5.782872      6.853629
  C      -8.130589     -5.193431      5.965536
  C      -9.078229     -4.106763      6.396699
  C      -8.209839     -5.634906      4.527970
  C      -7.238504     -4.956971      3.487844
  C      -7.845119     -5.195416      2.084031
  C      -7.200981     -3.439367      3.679946
  C      -3.103930     -4.859533      8.586817
  C      -2.800066     -5.744655      7.611413
  C      -3.695246     -6.916260      7.325954
  C      -1.498080     -5.674231      6.851054
  C      -1.389561     -4.772569      5.573005
  C       0.095704     -4.808817      5.134933
  C      -1.643689     -3.307473      5.940305
  H      -1.293056      1.581603      1.228150
  H      -2.094660      0.253862      0.197769
  H      -1.647615     -0.012388      4.352185
  H      -0.636918      1.167435      3.476804
  H      -0.089034     -0.514922      3.697429
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  H      -1.947146     -2.077039      1.085602
  H      -4.389483     -0.148142      1.403177
  H      -5.598619     -1.448012      1.558418
  H      -4.307010     -1.557855      0.336194
  H      -5.076658     -1.475536      3.993508
  H      -3.417610     -1.721914      4.587588
  H      -3.844874     -0.219505      3.728933
  H      -6.649927     -6.607692      6.565083
  H      -7.330229     -5.511591      7.914549
  H     -10.119240     -4.450939      6.282464
  H      -8.981959     -3.207781      5.769901
  H      -8.927972     -3.825387      7.448265
  H      -8.040509     -6.719397      4.461058
  H      -9.236446     -5.454219      4.172625
  H      -8.014568     -6.258070      1.866436
  H      -7.184672     -4.778545      1.311060
  H      -8.817330     -4.688590      2.011069
  H      -8.212912     -3.024949      3.569694
  H      -6.807276     -3.153674      4.661796
  H      -6.553682     -2.981847      2.919642
  H      -3.980112     -5.001763      9.226614
  H      -2.422928     -4.049365      8.858165
  H      -4.086532     -6.871857      6.297843
  H      -3.124570     -7.855166      7.409772
  H      -4.546370     -6.968664      8.018720
  H      -0.712541     -5.319967      7.536074
  H      -1.212939     -6.695780      6.552252
  H       0.480426     -5.826196      4.995251
  H       0.707639     -4.328745      5.909816
  H       0.233435     -4.246524      4.200322
  H      -2.651187     -3.129109      6.318365
  H      -0.922697     -3.003357      6.712002
  H      -1.487897     -2.668049      5.061033
  N      -4.597316     -3.924353      5.565311
  N      -5.199505     -3.563884      6.750070
  H      -6.096976     -4.118480      6.860371
  H      -4.565112     -3.854974      7.551838
  H      -5.407503     -2.549975      6.830250
88
Coordinates from ORCA-job orca E -5477.171774784346
  N      -3.885294     -3.382732      2.426043
  C      -3.823761     -4.019697      1.100630
  C      -3.048256     -5.321911      1.182747
  N      -3.614600     -6.137453      2.282942
  C      -4.848022     -6.862165      1.890398
  C      -5.748961     -6.897964      3.117857
  N      -5.884787     -5.528380      3.586499
  Mo     -4.104252     -4.616692      3.977070
  N      -2.274334     -5.291147      4.474942
  C      -1.635803     -6.355943      3.703121
  C      -2.657980     -7.093666      2.876543
  H      -1.137787     -7.091888      4.359308
  H      -0.843428     -5.948936      3.048114
  H      -3.239973     -7.762678      3.526879
  H      -2.177569     -7.711885      2.097410
  H      -6.712929     -7.359618      2.857719
  H      -5.306607     -7.545167      3.897492
  H      -5.352848     -6.299879      1.094860
  H      -4.591609     -7.863288      1.502974
  H      -3.333996     -3.375132      0.356930
  H      -4.845665     -4.213471      0.722932
  H      -1.999816     -5.102423      1.426893
  H      -3.075931     -5.877860      0.228870
  C      -1.652884      0.554493      1.139764
  C      -1.600825     -0.281368      2.186842
  C      -0.961747      0.128179      3.485791
  C      -2.126490     -1.696260      2.095043
  C      -3.646604     -1.913375      2.413256
  C      -4.530103     -1.228560      1.356080
  C      -4.004416     -1.296156      3.766264
  C      -7.302361     -5.843340      6.824588
  C      -8.133255     -5.231611      5.955837
  C      -9.075945     -4.152735      6.417270
  C      -8.219252     -5.636281      4.508110
  C      -7.237851     -4.943960      3.487371
  C      -7.831691     -5.159074      2.074677
  C      -7.200429     -3.428992      3.703851
  C      -3.075696     -4.799371      8.586299
  C      -2.794395     -5.711444      7.629791
  C      -3.702452     -6.883028      7.392917
  C      -1.501952     -5.673912      6.848482
  C      -1.388505     -4.774475      5.569415
  C       0.096229     -4.817631      5.130507
  C      -1.637939     -3.307012      5.932358
  H      -1.271818      1.575779      1.206521
  H      -2.072547      0.242829      0.181513
  H      -1.646568      0.006784      4.338483
  H      -0.624015      1.173063      3.459911
  H      -0.087645     -0.510435      3.696584
  H      -1.566814     -2.345317      2.787440
  H      -1.941933     -2.077408      1.079371
  H      -4.380884     -0.142253      1.399189
  H      -5.590497     -1.441835      1.555270
  H      -4.298571     -1.552588      0.333135
  H      -5.065309     -1.468596      3.991970
  H      -3.405713     -1.713431      4.583629
  H      -3.834022     -0.212063      3.723354
  H      -6.650300     -6.664381      6.516724
  H      -7.322233     -5.596368      7.891867
  H     -10.117741     -4.500270      6.317159
  H      -8.992963     -3.245207      5.800519
  H      -8.910387     -3.885043      7.470774
  H      -8.066147     -6.721265      4.414625
  H      -9.243010     -5.432530      4.157169
  H      -7.988375     -6.218383      1.833374
  H      -7.167832     -4.720663      1.317056
  H      -8.807997     -4.660950      2.002475
  H      -8.208819     -3.009832      3.576895
  H      -6.828047     -3.160536      4.698804
  H      -6.534003     -2.963205      2.965146
  H      -3.942798     -4.917980      9.243876
  H      -2.388352     -3.983972      8.823129
  H      -4.089442     -6.884668      6.363006
  H      -3.144276     -7.823295      7.529518
  H      -4.557405     -6.894001      8.083499
  H      -0.698428     -5.340289      7.522868
  H      -1.244594     -6.701350      6.545129
  H       0.478016     -5.837316      4.997655
  H       0.710282     -4.333181      5.900872
  H       0.233129     -4.263244      4.191112
  H      -2.644460     -3.124588      6.311401
  H      -0.914800     -3.002795      6.701656
  H      -1.480428     -2.671036      5.050846
  N      -4.597471     -3.909943      5.561352
  N      -5.240579     -3.619529      6.743504
  H      -6.109267     -4.227126      6.819268
  H      -4.605010     -3.892231      7.550972
  H      -5.507454     -2.622309      6.845626
88
Coordinates from ORCA-job orca E -5477.172083326752
  N      -3.892656     -3.378092      2.426506
  C      -3.834983     -4.025465      1.104906
  C      -3.059139     -5.329547      1.194263
  N      -3.625187     -6.134307      2.303800
  C      -4.861474     -6.856459      1.914210
  C      -5.763430     -6.876252      3.140402
  N      -5.887299     -5.504380      3.603397
  Mo     -4.096979     -4.602490      3.985861
  N      -2.263221     -5.276778      4.474037
  C      -1.636187     -6.353143      3.708898
  C      -2.671520     -7.093143      2.900522
  H      -1.137858     -7.082844      4.371236
  H      -0.847199     -5.957327      3.042897
  H      -3.257741     -7.738721      3.571145
  H      -2.208635     -7.730701      2.127391
  H      -6.729380     -7.332296      2.875781
  H      -5.331479     -7.526161      3.923574
  H      -5.362447     -6.297418      1.114166
  H      -4.608211     -7.861875      1.537436
  H      -3.347009     -3.386307      0.355998
  H      -4.858148     -4.220099      0.731461
  H      -2.010718     -5.107868      1.436491
  H      -3.086468     -5.894726      0.246327
  C      -1.629661      0.532464      1.112306
  C      -1.583891     -0.295980      2.165683
  C      -0.940865      0.116461      3.461834
  C      -2.121485     -1.707345      2.083923
  C      -3.642663     -1.909094      2.403769
  C      -4.521415     -1.227209      1.342215
  C      -3.994334     -1.280576      3.753015
  C      -7.298450     -5.918442      6.764249
  C      -8.157304     -5.292982      5.932948
  C      -9.117924     -4.253865      6.442695
  C      -8.242061     -5.632702      4.468828
  C      -7.235988     -4.915123      3.491155
  C      -7.797635     -5.087064      2.061022
  C      -7.203942     -3.407196      3.757407
  C      -3.050635     -4.766099      8.591776
  C      -2.785103     -5.679621      7.634036
  C      -3.711882     -6.834904      7.400484
  C      -1.492472     -5.662971      6.849080
  C      -1.375460     -4.765159      5.570020
  C       0.106416     -4.810971      5.125232
  C      -1.628419     -3.297603      5.930010
  H      -1.239507      1.550612      1.169866
  H      -2.052773      0.215388      0.157036
  H      -1.627798      0.010752      4.314816
  H      -0.590842      1.156703      3.428442
  H      -0.074978     -0.530066      3.679349
  H      -1.568144     -2.356039      2.780994
  H      -1.940273     -2.097038      1.070514
  H      -4.365256     -0.141886      1.375191
  H      -5.583215     -1.430984      1.542535
  H      -4.290789     -1.562389      0.322658
  H      -5.054209     -1.448268      3.985533
  H      -3.394363     -1.692702      4.572142
  H      -3.820234     -0.197542      3.699579
  H      -6.627135     -6.708224      6.418318
  H      -7.317346     -5.723388      7.842099
  H     -10.152218     -4.626743      6.348813
  H      -9.064484     -3.328200      5.848540
  H      -8.943697     -4.010462      7.501792
  H      -8.118921     -6.717308      4.334282
  H      -9.257635     -5.387145      4.120844
  H      -7.929402     -6.138197      1.774510
  H      -7.124634     -4.610000      1.336162
  H      -8.780836     -4.605056      1.984676
  H      -8.204511     -2.979000      3.598523
  H      -6.880918     -3.171767      4.777129
  H      -6.504173     -2.926120      3.061077
  H      -3.921386     -4.874798      9.247847
  H      -2.356567     -3.957192      8.826607
  H      -4.088551     -6.846885      6.368136
  H      -3.179785     -7.783777      7.571487
  H      -4.575111     -6.810734      8.080436
  H      -0.684462     -5.339933      7.522609
  H      -1.247823     -6.693190      6.545081
  H       0.487235     -5.830755      4.988490
  H       0.724359     -4.327111      5.892658
  H       0.236896     -4.256776      4.184990
  H      -2.628175     -3.122053      6.329962
  H      -0.892858     -2.982663      6.681957
  H      -1.493802     -2.663897      5.043720
  N      -4.586648     -3.889459      5.570928
  N      -5.252649     -3.657407      6.754532
  H      -6.085002     -4.321461      6.814683
  H      -4.601173     -3.890777      7.560148
  H      -5.583974     -2.682531      6.865854
88
Coordinates from ORCA-job orca E -5477.172617188341
  N      -3.898585     -3.375923      2.427812
  C      -3.844684     -4.023673      1.105891
  C      -3.069874     -5.326410      1.194470
  N      -3.630217     -6.128036      2.309746
  C      -4.867436     -6.853164      1.927840
  C      -5.763184     -6.870809      3.158616
  N      -5.885822     -5.497709      3.620300
  Mo     -4.091921     -4.598669      3.989444
  N      -2.255068     -5.273466      4.477819
  C      -1.631743     -6.349074      3.706779
  C      -2.671201     -7.087337      2.901372
  H      -1.131574     -7.080307      4.365895
  H      -0.845669     -5.951257      3.038463
  H      -3.254537     -7.731235      3.575779
  H      -2.214650     -7.723414      2.123680
  H      -6.729548     -7.329289      2.899534
  H      -5.327149     -7.517845      3.941694
  H      -5.372083     -6.296099      1.129055
  H      -4.614207     -7.859081      1.552618
  H      -3.357122     -3.384533      0.356436
  H      -4.868858     -4.216658      0.734562
  H      -2.020981     -5.102439      1.432472
  H      -3.100019     -5.895333      0.249092
  C      -1.631760      0.528658      1.107541
  C      -1.581330     -0.302032      2.159078
  C      -0.930551      0.104786      3.453307
  C      -2.123964     -1.711286      2.079003
  C      -3.644207     -1.906650      2.402380
  C      -4.526042     -1.226282      1.342615
  C      -3.987077     -1.273167      3.751209
  C      -7.303613     -5.932990      6.745885
  C      -8.169950     -5.305296      5.923824
  C      -9.132873     -4.275859      6.443629
  C      -8.252554     -5.627557      4.455746
  C      -7.233540     -4.908234      3.493552
  C      -7.777367     -5.071605      2.055885
  C      -7.207048     -3.402492      3.770450
  C      -3.028160     -4.751163      8.598547
  C      -2.771913     -5.669042      7.643465
  C      -3.707891     -6.818427      7.418720
  C      -1.483269     -5.664275      6.851074
  C      -1.363090     -4.765595      5.573472
  C       0.117408     -4.817142      5.127130
  C      -1.611841     -3.297388      5.930884
  H      -1.238296      1.545128      1.164416
  H      -2.061824      0.214510      0.154260
  H      -1.613698     -0.002041      4.309166
  H      -0.578390      1.143692      3.421149
  H      -0.065139     -0.544344      3.665511
  H      -1.572458     -2.360515      2.776930
  H      -1.944968     -2.102987      1.066279
  H      -4.367237     -0.140529      1.371161
  H      -5.587881     -1.426385      1.548470
  H      -4.300828     -1.565228      0.322649
  H      -5.044491     -1.439987      3.994252
  H      -3.380205     -1.681202      4.566933
  H      -3.813366     -0.190578      3.690459
  H      -6.632730     -6.716463      6.391117
  H      -7.322731     -5.753861      7.825953
  H     -10.165741     -4.650282      6.346980
  H      -9.081683     -3.346633      5.855370
  H      -8.957804     -4.039338      7.503250
  H      -8.142852     -6.712179      4.311924
  H      -9.263178     -5.365014      4.105672
  H      -7.897769     -6.121196      1.756643
  H      -7.099714     -4.582339      1.342604
  H      -8.764021     -4.596235      1.973014
  H      -8.204268     -2.974088      3.597089
  H      -6.906110     -3.171343      4.796921
  H      -6.497025     -2.917888      3.088372
  H      -3.898577     -4.855522      9.256170
  H      -2.330852     -3.944365      8.827633
  H      -4.079895     -6.840036      6.385069
  H      -3.187843     -7.770753      7.605616
  H      -4.574296     -6.775262      8.093212
  H      -0.669373     -5.351075      7.522151
  H      -1.250745     -6.696448      6.544685
  H       0.496385     -5.837433      4.992172
  H       0.736655     -4.332358      5.892865
  H       0.248325     -4.265636      4.185840
  H      -2.612223     -3.118700      6.327966
  H      -0.876498     -2.981770      6.683705
  H      -1.474204     -2.666036      5.043885
  N      -4.593795     -3.847071      5.555840
  N      -5.285402     -3.683756      6.736256
  H      -6.099181     -4.375062      6.761870
  H      -4.638888     -3.920650      7.542969
  H      -5.648726     -2.724794      6.876722
88
Coordinates from ORCA-job orca E -5477.173509865564
  N      -3.916123     -3.378758      2.428502
  C      -3.862968     -4.028029      1.109033
  C      -3.080632     -5.325630      1.201674
  N      -3.630554     -6.120575      2.325262
  C      -4.867056     -6.854639      1.957280
  C      -5.750012     -6.866781      3.197618
  N      -5.878706     -5.490298      3.652818
  Mo     -4.087143     -4.590646      3.994219
  N      -2.241031     -5.261398      4.494483
  C      -1.620791     -6.333152      3.715051
  C      -2.661407     -7.074776      2.913909
  H      -1.117871     -7.067917      4.368911
  H      -0.838821     -5.929285      3.045675
  H      -3.236494     -7.724594      3.588080
  H      -2.206026     -7.700833      2.127094
  H      -6.718662     -7.332740      2.962827
  H      -5.294281     -7.499073      3.981151
  H      -5.376921     -6.306873      1.156198
  H      -4.611663     -7.862462      1.587777
  H      -3.372203     -3.388957      0.360216
  H      -4.886473     -4.220419      0.735337
  H      -2.032247     -5.092949      1.432756
  H      -3.112921     -5.902323      0.261031
  C      -1.653999      0.525055      1.109475
  C      -1.589735     -0.316496      2.152663
  C      -0.920386      0.072425      3.443538
  C      -2.138966     -1.721856      2.071768
  C      -3.656670     -1.910066      2.398489
  C      -4.545673     -1.234712      1.339408
  C      -3.988103     -1.264717      3.743550
  C      -7.323869     -5.917062      6.743404
  C      -8.193083     -5.292406      5.921303
  C      -9.156139     -4.267445      6.436621
  C      -8.266497     -5.611774      4.452377
  C      -7.228703     -4.903780      3.501991
  C      -7.748103     -5.077161      2.056349
  C      -7.214584     -3.400032      3.774168
  C      -3.014847     -4.805069      8.617980
  C      -2.750222     -5.694868      7.639586
  C      -3.689504     -6.832312      7.364739
  C      -1.459603     -5.669345      6.854958
  C      -1.340867     -4.759584      5.587244
  C       0.137971     -4.812918      5.138839
  C      -1.589767     -3.295339      5.950824
  H      -1.255101      1.538381      1.170171
  H      -2.099544      0.223446      0.158886
  H      -1.592453     -0.047220      4.307202
  H      -0.568598      1.110692      3.418539
  H      -0.052116     -0.580320      3.636564
  H      -1.590149     -2.371387      2.771800
  H      -1.960569     -2.116005      1.060933
  H      -4.384018     -0.148012      1.359258
  H      -5.606924     -1.428326      1.554572
  H      -4.331559     -1.579088      0.318578
  H      -5.041144     -1.428341      4.005466
  H      -3.369808     -1.663384      4.554109
  H      -3.816787     -0.183415      3.667818
  H      -6.664925     -6.699697      6.380598
  H      -7.344884     -5.751480      7.823481
  H     -10.188260     -4.628812      6.318457
  H      -9.089910     -3.338148      5.852257
  H      -8.989715     -4.036841      7.494583
  H      -8.167172     -6.697522      4.314309
  H      -9.268781     -5.335124      4.089872
  H      -7.860133     -6.129895      1.758987
  H      -7.062992     -4.586861      1.347899
  H      -8.737223     -4.604114      1.958725
  H      -8.210322     -2.979848      3.587211
  H      -6.938501     -3.155070      4.802546
  H      -6.503554     -2.913780      3.097626
  H      -3.893630     -4.933608      9.258945
  H      -2.316844     -4.010945      8.879522
  H      -4.054346     -6.804653      6.326914
  H      -3.177235     -7.797071      7.501831
  H      -4.558840     -6.806696      8.034563
  H      -0.652514     -5.354881      7.534542
  H      -1.221040     -6.698315      6.541904
  H       0.516831     -5.830927      4.993367
  H       0.756514     -4.336952      5.910478
  H       0.274031     -4.250295      4.205190
  H      -2.591194     -3.119440      6.347883
  H      -0.854516     -2.980200      6.705517
  H      -1.455744     -2.659686      5.066603
  N      -4.592728     -3.769271      5.530311
  N      -5.310289     -3.657208      6.702785
  H      -6.121088     -4.355188      6.706987
  H      -4.673919     -3.905376      7.508429
  H      -5.686257     -2.705397      6.865536
88
Coordinates from ORCA-job orca E -5477.174221153066
  N      -3.922680     -3.375261      2.428779
  C      -3.874531     -4.028062      1.110716
  C      -3.096982     -5.323852      1.204902
  N      -3.639320     -6.112752      2.336634
  C      -4.877190     -6.850974      1.985249
  C      -5.748051     -6.857275      3.234416
  N      -5.874338     -5.476938      3.683717
  Mo     -4.078967     -4.579420      3.999964
  N      -2.230974     -5.251432      4.505891
  C      -1.616832     -6.323445      3.718974
  C      -2.662163     -7.064130      2.922389
  H      -1.112230     -7.061632      4.367832
  H      -0.838196     -5.918305      3.046817
  H      -3.231328     -7.714673      3.600017
  H      -2.211780     -7.686910      2.130149
  H      -6.718845     -7.326349      3.015611
  H      -5.281546     -7.480939      4.018159
  H      -5.393170     -6.308860      1.184563
  H      -4.624200     -7.860769      1.619506
  H      -3.381777     -3.392205      0.360030
  H      -4.898952     -4.217083      0.738490
  H      -2.047678     -5.089272      1.428914
  H      -3.134915     -5.905630      0.267697
  C      -1.656201      0.520822      1.100526
  C      -1.584835     -0.323505      2.140670
  C      -0.903214      0.058584      3.427251
  C      -2.140561     -1.726017      2.062937
  C      -3.657379     -1.906867      2.392795
  C      -4.549332     -1.234777      1.333269
  C      -3.981014     -1.251954      3.734623
  C      -7.328684     -5.912034      6.731532
  C      -8.208906     -5.292197      5.916937
  C      -9.181478     -4.282861      6.439955
  C      -8.276527     -5.598064      4.445351
  C      -7.223206     -4.890344      3.512207
  C      -7.718271     -5.061918      2.058037
  C      -7.218571     -3.388582      3.789867
  C      -2.987806     -4.813716      8.635341
  C      -2.729120     -5.696213      7.649835
  C      -3.677353     -6.823644      7.363512
  C      -1.441877     -5.671027      6.859288
  C      -1.324041     -4.754355      5.596714
  C       0.152606     -4.810039      5.143287
  C      -1.571251     -3.292174      5.964649
  H      -1.252320      1.531839      1.160203
  H      -2.112382      0.224113      0.153544
  H      -1.567821     -0.063982      4.295426
  H      -0.549512      1.095312      3.403202
  H      -0.035253     -0.596458      3.610636
  H      -1.593781     -2.375347      2.765093
  H      -1.963940     -2.123744      1.053651
  H      -4.384186     -0.147514      1.346434
  H      -5.610837     -1.423119      1.554547
  H      -4.341957     -1.584315      0.312390
  H      -5.031227     -1.413096      4.008132
  H      -3.356613     -1.643550      4.543356
  H      -3.810920     -0.171533      3.647506
  H      -6.666548     -6.684848      6.356639
  H      -7.348562     -5.760645      7.812856
  H     -10.210285     -4.649493      6.312594
  H      -9.120379     -3.349392      5.861850
  H      -9.018801     -4.058848      7.499154
  H      -8.185860     -6.683595      4.301703
  H      -9.272099     -5.307749      4.075437
  H      -7.816651     -6.114593      1.753845
  H      -7.026836     -4.562452      1.361431
  H      -8.710107     -4.595582      1.947435
  H      -8.211338     -2.971237      3.582406
  H      -6.972428     -3.141951      4.825113
  H      -6.495758     -2.897623      3.130163
  H      -3.867457     -4.945687      9.274350
  H      -2.285952     -4.025423      8.900651
  H      -4.033357     -6.784860      6.322365
  H      -3.175996     -7.795263      7.491056
  H      -4.550799     -6.792217      8.027167
  H      -0.630628     -5.364663      7.537998
  H      -1.211277     -6.699835      6.539887
  H       0.530012     -5.827387      4.992270
  H       0.773285     -4.338524      5.916012
  H       0.289527     -4.242686      4.212515
  H      -2.571849     -3.118559      6.366396
  H      -0.832097     -2.977844      6.717244
  H      -1.442755     -2.653738      5.081282
  N      -4.609571     -3.697134      5.497841
  N      -5.367464     -3.717503      6.652125
  H      -6.142900     -4.454418      6.587264
  H      -4.743026     -3.985542      7.457995
  H      -5.797933     -2.801112      6.870767
88
Coordinates from ORCA-job orca E -5477.175296650475
  N      -3.925678     -3.372298      2.433327
  C      -3.879860     -4.028696      1.115621
  C      -3.109500     -5.322894      1.211272
  N      -3.645745     -6.107434      2.349663
  C      -4.884033     -6.850165      2.011426
  C      -5.747253     -6.852141      3.264972
  N      -5.873136     -5.467223      3.709645
  Mo     -4.074209     -4.572635      4.008071
  N      -2.222696     -5.246010      4.519238
  C      -1.612275     -6.316817      3.724466
  C      -2.661026     -7.055901      2.931540
  H      -1.105205     -7.058265      4.367349
  H      -0.836470     -5.909478      3.050392
  H      -3.224508     -7.707215      3.612330
  H      -2.215885     -7.675445      2.134303
  H      -6.718435     -7.323802      3.054927
  H      -5.275388     -7.469336      4.050076
  H      -5.404699     -6.312511      1.211098
  H      -4.632016     -7.861291      1.648941
  H      -3.384882     -3.395774      0.363730
  H      -4.904496     -4.214285      0.744462
  H      -2.059904     -5.086794      1.430574
  H      -3.151461     -5.908830      0.277155
  C      -1.671872      0.520007      1.081635
  C      -1.588041     -0.323073      2.122023
  C      -0.895396      0.060921      3.402337
  C      -2.143555     -1.725879      2.053313
  C      -3.658604     -1.903420      2.389596
  C      -4.555865     -1.239191      1.329388
  C      -3.974086     -1.238033      3.727576
  C      -7.345949     -5.917922      6.715780
  C      -8.230126     -5.299555      5.905089
  C      -9.208841     -4.299701      6.431393
  C      -8.288272     -5.593393      4.431465
  C      -7.221171     -4.881760      3.518695
  C      -7.691243     -5.049019      2.055701
  C      -7.227284     -3.381784      3.803289
  C      -2.970980     -4.841790      8.655204
  C      -2.716754     -5.710576      7.657108
  C      -3.675807     -6.823210      7.348523
  C      -1.429445     -5.681788      6.866692
  C      -1.311518     -4.756086      5.610091
  C       0.163376     -4.812175      5.152515
  C      -1.555435     -3.296476      5.985144
  H      -1.268999      1.531117      1.136488
  H      -2.137821      0.222695      0.139422
  H      -1.550993     -0.063864      4.277035
  H      -0.545383      1.097713      3.374490
  H      -0.024436     -0.592418      3.577388
  H      -1.594920     -2.370864      2.758479
  H      -1.968711     -2.129105      1.045845
  H      -4.387892     -0.150961      1.332019
  H      -5.617153     -1.422710      1.559831
  H      -4.356534     -1.597823      0.309092
  H      -5.021765     -1.394775      4.010828
  H      -3.345481     -1.623337      4.535863
  H      -3.803071     -0.158806      3.628829
  H      -6.679696     -6.682765      6.333428
  H      -7.361626     -5.772736      7.797271
  H     -10.236769     -4.665380      6.290050
  H      -9.144230     -3.361187      5.862106
  H      -9.054502     -4.085211      7.494204
  H      -8.202216     -6.678337      4.281122
  H      -9.277740     -5.293855      4.052678
  H      -7.777107     -6.100851      1.743952
  H      -6.993038     -4.540648      1.372154
  H      -8.684545     -4.588303      1.931840
  H      -8.218151     -2.968357      3.579214
  H      -7.006122     -3.136160      4.844068
  H      -6.495385     -2.883325      3.160095
  H      -3.854136     -4.977886      9.287595
  H      -2.263957     -4.062494      8.932519
  H      -4.021019     -6.765817      6.304196
  H      -3.185711     -7.802264      7.461014
  H      -4.554520     -6.791912      8.004292
  H      -0.616904     -5.382810      7.547029
  H      -1.203124     -6.708974      6.540048
  H       0.539119     -5.828530      4.996215
  H       0.786355     -4.344900      5.926329
  H       0.300182     -4.240827      4.224483
  H      -2.556335     -3.121905      6.385536
  H      -0.815012     -2.985996      6.740093
  H      -1.425918     -2.655405      5.104652
  N      -4.622044     -3.633694      5.470186
  N      -5.368545     -3.723311      6.633994
  H      -6.139291     -4.462119      6.555881
  H      -4.734874     -4.017596      7.421673
  H      -5.804655     -2.823010      6.897269
88
Coordinates from ORCA-job orca E -5477.177522180159
  N      -3.909537     -3.354899      2.445301
  C      -3.859451     -4.030414      1.132513
  C      -3.111317     -5.328501      1.236774
  N      -3.653658     -6.108234      2.374863
  C      -4.894843     -6.847445      2.054241
  C      -5.752174     -6.843554      3.310107
  N      -5.878197     -5.448857      3.751853
  Mo     -4.075264     -4.546733      4.024955
  N      -2.231146     -5.233976      4.545516
  C      -1.623571     -6.308949      3.750454
  C      -2.671437     -7.048936      2.964034
  H      -1.115839     -7.054529      4.386978
  H      -0.845470     -5.907499      3.075784
  H      -3.230242     -7.702599      3.645153
  H      -2.222442     -7.671340      2.171446
  H      -6.725443     -7.311970      3.108875
  H      -5.277305     -7.455343      4.095994
  H      -5.417772     -6.315009      1.251484
  H      -4.653383     -7.863186      1.697025
  H      -3.355502     -3.411415      0.376023
  H      -4.881338     -4.209745      0.758493
  H      -2.061342     -5.100495      1.457581
  H      -3.157696     -5.912959      0.301887
  C      -1.669381      0.513157      1.003417
  C      -1.573496     -0.303492      2.063062
  C      -0.877130      0.122019      3.327619
  C      -2.120025     -1.712642      2.030356
  C      -3.637113     -1.886859      2.375511
  C      -4.530774     -1.242508      1.298577
  C      -3.956373     -1.191873      3.696627
  C      -7.396056     -5.975100      6.698494
  C      -8.270918     -5.340291      5.893681
  C      -9.259692     -4.351305      6.433803
  C      -8.307491     -5.608125      4.418723
  C      -7.229119     -4.866951      3.546806
  C      -7.664794     -5.024548      2.070613
  C      -7.258632     -3.369240      3.844266
  C      -2.963056     -4.942593      8.688421
  C      -2.713367     -5.769366      7.653513
  C      -3.686482     -6.851453      7.277714
  C      -1.421950     -5.714381      6.870924
  C      -1.316326     -4.754304      5.633970
  C       0.155569     -4.792962      5.159103
  C      -1.560223     -3.306644      6.046726
  H      -1.275261      1.528966      1.034320
  H      -2.138912      0.193502      0.070706
  H      -1.523032      0.015492      4.211293
  H      -0.537342      1.159892      3.268513
  H      -0.001508     -0.521817      3.509628
  H      -1.563204     -2.340534      2.747027
  H      -1.944653     -2.135288      1.028996
  H      -4.357353     -0.153737      1.279667
  H      -5.594107     -1.418338      1.534269
  H      -4.333446     -1.622603      0.284246
  H      -5.005190     -1.337955      3.975780
  H      -3.339742     -1.561026      4.523286
  H      -3.781212     -0.114457      3.574439
  H      -6.717590     -6.729470      6.292494
  H      -7.393923     -5.829400      7.780946
  H     -10.290767     -4.715600      6.266861
  H      -9.194444     -3.395790      5.891349
  H      -9.121538     -4.165637      7.511314
  H      -8.200606     -6.688045      4.243568
  H      -9.290454     -5.316042      4.020074
  H      -7.729305     -6.073796      1.753954
  H      -6.960772     -4.502776      1.408716
  H      -8.656970     -4.573537      1.925655
  H      -8.256623     -2.970322      3.597841
  H      -7.065677     -3.129104      4.896044
  H      -6.514972     -2.841290      3.232962
  H      -3.848780     -5.084065      9.311326
  H      -2.241310     -4.182909      8.993246
  H      -4.002365     -6.731139      6.225763
  H      -3.195940     -7.836591      7.321711
  H      -4.577115     -6.864202      7.917282
  H      -0.605671     -5.434262      7.554027
  H      -1.197075     -6.731050      6.513986
  H       0.528150     -5.805630      4.978832
  H       0.788893     -4.342914      5.936724
  H       0.284802     -4.201704      4.241476
  H      -2.556965     -3.141041      6.459578
  H      -0.809512     -3.015564      6.801954
  H      -1.441560     -2.646705      5.179763
  N      -4.587488     -3.534549      5.463429
  N      -5.337275     -3.679690      6.650577
  H      -6.100735     -4.416002      6.599848
  H      -4.707060     -3.983294      7.438183
  H      -5.783492     -2.792783      6.927020
88
Coordinates from ORCA-job orca E -5477.180006974147
  N      -3.913870     -3.345871      2.441108
  C      -3.860381     -4.032604      1.132979
  C      -3.114989     -5.333098      1.244356
  N      -3.656660     -6.105532      2.385898
  C      -4.897892     -6.845447      2.074675
  C      -5.750645     -6.832044      3.333474
  N      -5.878064     -5.434697      3.771143
  Mo     -4.080422     -4.523500      4.024159
  N      -2.241648     -5.215951      4.562496
  C      -1.630034     -6.290068      3.769557
  C      -2.672403     -7.038106      2.982339
  H      -1.120422     -7.031383      4.409943
  H      -0.850617     -5.887038      3.096485
  H      -3.231241     -7.688750      3.667265
  H      -2.218947     -7.664831      2.195030
  H      -6.723767     -7.303277      3.139140
  H      -5.272948     -7.437403      4.122289
  H      -5.422989     -6.319718      1.268725
  H      -4.659446     -7.865210      1.726018
  H      -3.352588     -3.418166      0.375622
  H      -4.882624     -4.209446      0.756476
  H      -2.064206     -5.105254      1.465506
  H      -3.160323     -5.922059      0.311926
  C      -1.657377      0.504819      0.970611
  C      -1.564789     -0.306459      2.035056
  C      -0.867176      0.122930      3.297364
  C      -2.117128     -1.714226      2.011209
  C      -3.635617     -1.877485      2.357260
  C      -4.528466     -1.241660      1.275222
  C      -3.947375     -1.166531      3.670432
  C      -7.414639     -6.020128      6.688933
  C      -8.280235     -5.357459      5.896771
  C      -9.249813     -4.360592      6.452375
  C      -8.319712     -5.599156      4.417120
  C      -7.231097     -4.855624      3.558469
  C      -7.653906     -5.007198      2.078374
  C      -7.267192     -3.360205      3.862456
  C      -2.986781     -4.977909      8.699024
  C      -2.725078     -5.781332      7.650598
  C      -3.694188     -6.850529      7.235525
  C      -1.426297     -5.711671      6.883135
  C      -1.326756     -4.740786      5.653913
  C       0.143170     -4.769942      5.175418
  C      -1.575767     -3.297586      6.079430
  H      -1.258780      1.519551      0.995662
  H      -2.126584      0.182119      0.038887
  H      -1.515674      0.023341      4.180396
  H      -0.522590      1.159842      3.232395
  H       0.006643     -0.524176      3.484515
  H      -1.564027     -2.338543      2.733113
  H      -1.940956     -2.144694      1.013868
  H      -4.352634     -0.154883      1.245368
  H      -5.591582     -1.411861      1.514020
  H      -4.333183     -1.632775      0.265441
  H      -4.995057     -1.307248      3.958446
  H      -3.329178     -1.526160      4.499487
  H      -3.769594     -0.091385      3.533187
  H      -6.759469     -6.782249      6.270164
  H      -7.407490     -5.895039      7.773721
  H     -10.286188     -4.701761      6.279502
  H      -9.168374     -3.397853      5.926133
  H      -9.107931     -4.196214      7.530429
  H      -8.230811     -6.676706      4.225222
  H      -9.296768     -5.285243      4.020302
  H      -7.707895     -6.055787      1.756213
  H      -6.948109     -4.475556      1.424907
  H      -8.648909     -4.562804      1.927776
  H      -8.261703     -2.964957      3.601787
  H      -7.093927     -3.119788      4.917180
  H      -6.517806     -2.827688      3.263802
  H      -3.882883     -5.129749      9.304794
  H      -2.267289     -4.230000      9.030174
  H      -3.991123     -6.701173      6.182830
  H      -3.205545     -7.837523      7.261608
  H      -4.593382     -6.878723      7.860900
  H      -0.616872     -5.433089      7.573190
  H      -1.191876     -6.723224      6.517410
  H       0.519013     -5.780012      4.984346
  H       0.777040     -4.324678      5.954912
  H       0.266791     -4.169698      4.263293
  H      -2.570329     -3.138508      6.497894
  H      -0.823588     -3.008549      6.832239
  H      -1.465337     -2.629623      5.217701
  N      -4.584963     -3.461830      5.437089
  N      -5.291091     -3.736663      6.642441
  H      -6.027735     -4.500681      6.571018
  H      -4.617935     -4.066722      7.380532
  H      -5.761280     -2.891704      6.998331
88
Coordinates from ORCA-job orca E -5477.181231877421
  N      -3.914296     -3.328169      2.430061
  C      -3.861562     -4.027501      1.126943
  C      -3.104992     -5.349089      1.238499
  N      -3.651904     -6.115265      2.374529
  C      -4.895987     -6.842768      2.053274
  C      -5.753538     -6.814998      3.311523
  N      -5.881338     -5.427053      3.761912
  Mo     -4.102517     -4.487253      4.003163
  N      -2.287404     -5.189636      4.553586
  C      -1.656892     -6.262885      3.784818
  C      -2.678512     -7.037221      2.986087
  H      -1.148950     -6.983399      4.451147
  H      -0.869372     -5.859712      3.120705
  H      -3.248573     -7.684243      3.671199
  H      -2.201893     -7.678927      2.222853
  H      -6.726435     -7.285532      3.110150
  H      -5.281681     -7.427056      4.099774
  H      -5.416409     -6.318113      1.242158
  H      -4.667236     -7.868505      1.713875
  H      -3.351949     -3.414356      0.371376
  H      -4.889549     -4.196793      0.749082
  H      -2.049108     -5.132530      1.463117
  H      -3.148696     -5.935536      0.303490
  C      -1.573523      0.470972      0.935098
  C      -1.515382     -0.328260      2.010893
  C      -0.827266      0.104527      3.275886
  C      -2.092834     -1.728736      1.993742
  C      -3.619729     -1.861307      2.328153
  C      -4.494335     -1.225059      1.236244
  C      -3.926109     -1.131344      3.631084
  C      -7.412522     -6.144440      6.686033
  C      -8.258567     -5.414391      5.929474
  C      -9.187283     -4.402605      6.535128
  C      -8.319491     -5.598864      4.437772
  C      -7.235196     -4.845004      3.574355
  C      -7.686904     -4.966462      2.102894
  C      -7.248142     -3.352627      3.905755
  C      -3.111457     -4.932277      8.649519
  C      -2.792899     -5.744199      7.624031
  C      -3.710508     -6.846128      7.191339
  C      -1.475658     -5.653963      6.896136
  C      -1.389329     -4.701376      5.655356
  C       0.084053     -4.705422      5.191661
  C      -1.674774     -3.256923      6.073381
  H      -1.154801      1.481010      0.951370
  H      -2.029931      0.140967      0.000103
  H      -1.497092      0.029486      4.147052
  H      -0.457736      1.139381      3.204122
  H       0.034291     -0.555625      3.487068
  H      -1.559853     -2.354426      2.725569
  H      -1.913119     -2.172202      1.003383
  H      -4.307739     -0.147596      1.198788
  H      -5.557022     -1.382535      1.467105
  H      -4.290973     -1.631069      0.238507
  H      -4.980182     -1.259574      3.913850
  H      -3.319655     -1.488627      4.468359
  H      -3.731887     -0.060587      3.485457
  H      -6.805340     -6.928302      6.246790
  H      -7.407456     -6.062931      7.776211
  H     -10.230179     -4.710581      6.374143
  H      -9.084694     -3.419020      6.050347
  H      -9.028178     -4.287050      7.611037
  H      -8.261786     -6.669528      4.208430
  H      -9.296665     -5.252697      4.069294
  H      -7.755883     -6.009978      1.765575
  H      -6.984740     -4.427300      1.449765
  H      -8.681927     -4.515187      1.979034
  H      -8.236750     -2.941119      3.665748
  H      -7.048770     -3.133213      4.959595
  H      -6.502286     -2.826160      3.299286
  H      -4.027214     -5.091060      9.228467
  H      -2.427941     -4.158050      8.996158
  H      -3.990366     -6.700245      6.138480
  H      -3.192499     -7.817469      7.251044
  H      -4.618933     -6.904748      7.802924
  H      -0.690124     -5.343559      7.597371
  H      -1.200167     -6.662173      6.546477
  H       0.479935     -5.713254      5.006786
  H       0.704714     -4.244184      5.969639
  H       0.194034     -4.108380      4.276428
  H      -2.672653     -3.113670      6.484964
  H      -0.941420     -2.952240      6.825339
  H      -1.569875     -2.584555      5.212074
  N      -4.528024     -3.467996      5.478228
  N      -5.185813     -3.868064      6.695469
  H      -5.902988     -4.649923      6.562040
  H      -4.458629     -4.227621      7.368608
  H      -5.665340     -3.066767      7.134193
88
Coordinates from ORCA-job orca E -5477.183304908544
  N      -3.902632     -3.328408      2.429467
  C      -3.839218     -4.033506      1.129401
  C      -3.095883     -5.354156      1.248953
  N      -3.658229     -6.114471      2.383268
  C      -4.908664     -6.832957      2.067771
  C      -5.759906     -6.804284      3.333144
  N      -5.882837     -5.414346      3.783125
  Mo     -4.103742     -4.476282      4.002029
  N      -2.296206     -5.185385      4.577333
  C      -1.670875     -6.264431      3.807098
  C      -2.693155     -7.038288      3.008866
  H      -1.162413     -6.987576      4.469423
  H      -0.885396     -5.864433      3.141552
  H      -3.264293     -7.687491      3.689857
  H      -2.210628     -7.680609      2.249592
  H      -6.737391     -7.268878      3.139839
  H      -5.285433     -7.417641      4.118480
  H      -5.428360     -6.305825      1.257987
  H      -4.691088     -7.859869      1.725787
  H      -3.324384     -3.425348      0.374198
  H      -4.862836     -4.202244      0.745659
  H      -2.040345     -5.147589      1.477670
  H      -3.141079     -5.939070      0.312986
  C      -1.579174      0.473944      0.932171
  C      -1.514844     -0.323780      2.009194
  C      -0.825261      0.114171      3.272343
  C      -2.085096     -1.725825      1.996319
  C      -3.612663     -1.862737      2.320931
  C      -4.482071     -1.236555      1.215652
  C      -3.937402     -1.120272      3.612997
  C      -7.390528     -6.144836      6.694872
  C      -8.236617     -5.408081      5.945566
  C      -9.154697     -4.392050      6.564629
  C      -8.313889     -5.592890      4.454056
  C      -7.239301     -4.836866      3.587908
  C      -7.680959     -4.980845      2.113810
  C      -7.268097     -3.340155      3.905340
  C      -3.090250     -5.003660      8.670188
  C      -2.772526     -5.792588      7.625341
  C      -3.705749     -6.868957      7.148827
  C      -1.458356     -5.670785      6.899985
  C      -1.387607     -4.699553      5.672361
  C       0.085386     -4.685766      5.196447
  C      -1.672066     -3.263390      6.113135
  H      -1.165668      1.485570      0.948070
  H      -2.037260      0.143503     -0.002309
  H      -1.487764      0.030885      4.147824
  H      -0.466537      1.151002      3.199855
  H       0.041315     -0.538199      3.475715
  H      -1.553583     -2.344624      2.736996
  H      -1.897151     -2.174353      1.009011
  H      -4.295081     -0.156894      1.171541
  H      -5.546024     -1.393560      1.443364
  H      -4.275365     -1.647776      0.219611
  H      -4.994846     -1.245533      3.880124
  H      -3.342504     -1.469670      4.462931
  H      -3.743686     -0.050769      3.460303
  H      -6.783494     -6.931185      6.244619
  H      -7.355294     -6.045529      7.782898
  H     -10.203051     -4.688088      6.401598
  H      -9.045290     -3.403084      6.090694
  H      -8.991070     -4.290552      7.644982
  H      -8.247771     -6.664559      4.217257
  H      -9.295069     -5.252415      4.091648
  H      -7.741503     -6.029387      1.791917
  H      -6.980176     -4.447290      1.456911
  H      -8.676597     -4.536637      1.978929
  H      -8.265376     -2.942466      3.669586
  H      -7.062069     -3.109729      4.957300
  H      -6.532490     -2.805011      3.292234
  H      -4.011976     -5.158419      9.235623
  H      -2.404250     -4.233014      9.031684
  H      -3.981345     -6.679834      6.096272
  H      -3.195390     -7.845903      7.157319
  H      -4.616247     -6.945777      7.757290
  H      -0.676348     -5.351412      7.603657
  H      -1.167711     -6.672163      6.542500
  H       0.486998     -5.687584      4.998563
  H       0.709251     -4.230386      5.975905
  H       0.187378     -4.076200      4.286653
  H      -2.669615     -3.125023      6.533514
  H      -0.930618     -2.970206      6.867590
  H      -1.573458     -2.580090      5.257053
  N      -4.579581     -3.378202      5.410490
  N      -5.252161     -3.848918      6.601597
  H      -5.943593     -4.635340      6.433305
  H      -4.544585     -4.204885      7.294324
  H      -5.766884     -3.074583      7.045429
88
Coordinates from ORCA-job orca E -5477.183979618861
  N      -3.894966     -3.332477      2.418170
  C      -3.826689     -4.034712      1.116163
  C      -3.083521     -5.349100      1.240172
  N      -3.651876     -6.113714      2.372063
  C      -4.903159     -6.831241      2.044979
  C      -5.764147     -6.812962      3.303324
  N      -5.893430     -5.423839      3.756260
  Mo     -4.113500     -4.485082      3.990010
  N      -2.307015     -5.197592      4.578886
  C      -1.675510     -6.275086      3.808180
  C      -2.693647     -7.043008      3.003734
  H      -1.167020     -6.998748      4.469011
  H      -0.890429     -5.870923      3.144568
  H      -3.270134     -7.690620      3.679196
  H      -2.208843     -7.684623      2.246243
  H      -6.738257     -7.277926      3.095850
  H      -5.297932     -7.432985      4.088376
  H      -5.418700     -6.296736      1.238090
  H      -4.681087     -7.854666      1.695620
  H      -3.312005     -3.425482      0.361516
  H      -4.847262     -4.208238      0.731513
  H      -2.030453     -5.141688      1.471156
  H      -3.126017     -5.933107      0.304064
  C      -1.593206      0.498798      0.963481
  C      -1.526660     -0.310934      2.031568
  C      -0.846857      0.116365      3.304243
  C      -2.086471     -1.715599      1.999977
  C      -3.612828     -1.865046      2.318816
  C      -4.483776     -1.235235      1.215524
  C      -3.947590     -1.137393      3.617768
  C      -7.364636     -6.142167      6.691524
  C      -8.202538     -5.394478      5.945532
  C      -9.088159     -4.355134      6.569277
  C      -8.311678     -5.591526      4.457793
  C      -7.253668     -4.851092      3.563796
  C      -7.709911     -5.024684      2.096587
  C      -7.288175     -3.348300      3.848513
  C      -3.094973     -4.996961      8.672843
  C      -2.782121     -5.796172      7.634211
  C      -3.721458     -6.879656      7.184618
  C      -1.471743     -5.675394      6.901391
  C      -1.395383     -4.708366      5.670123
  C       0.078810     -4.705449      5.191972
  C      -1.662975     -3.267248      6.102025
  H      -1.189493      1.512354      0.993790
  H      -2.045108      0.175677      0.023152
  H      -1.509803      0.014141      4.176432
  H      -0.500788      1.155232      3.248168
  H       0.025363     -0.528153      3.502357
  H      -1.553067     -2.339786      2.735664
  H      -1.894311     -2.151052      1.007860
  H      -4.301186     -0.152630      1.180004
  H      -5.548284     -1.398749      1.439917
  H      -4.274102     -1.637066      0.215512
  H      -5.004066     -1.273107      3.878985
  H      -3.350032     -1.490501      4.465117
  H      -3.761635     -0.064779      3.476428
  H      -6.772004     -6.942881      6.245464
  H      -7.316983     -6.033511      7.779098
  H     -10.146332     -4.630767      6.424904
  H      -8.964297     -3.373116      6.087351
  H      -8.905061     -4.251213      7.648774
  H      -8.257171     -6.665228      4.225208
  H      -9.300203     -5.248888      4.116833
  H      -7.772813     -6.078219      1.793202
  H      -7.016516     -4.503330      1.422826
  H      -8.708015     -4.584939      1.962862
  H      -8.296616     -2.965739      3.630728
  H      -7.050351     -3.096466      4.886419
  H      -6.572915     -2.818206      3.205310
  H      -4.011163     -5.151037      9.248024
  H      -2.410413     -4.225107      9.026478
  H      -4.007153     -6.721718      6.129057
  H      -3.217118     -7.858135      7.219638
  H      -4.628580     -6.935563      7.799517
  H      -0.691485     -5.347693      7.603767
  H      -1.177130     -6.678574      6.553002
  H       0.475640     -5.709506      5.002768
  H       0.705691     -4.245941      5.967655
  H       0.182344     -4.105113      4.275926
  H      -2.663310     -3.109299      6.515168
  H      -0.918250     -2.978167      6.862224
  H      -1.548698     -2.594383      5.239106
  N      -4.621824     -3.406980      5.394588
  N      -5.227351     -3.800564      6.643194
  H      -5.945985     -4.570758      6.541729
  H      -4.489554     -4.144242      7.310780
  H      -5.698576     -2.994920      7.084223
88
Coordinates from ORCA-job orca E -5477.184661046424
  N      -3.881141     -3.329945      2.410482
  C      -3.808811     -4.039647      1.114030
  C      -3.070993     -5.360988      1.245916
  N      -3.649005     -6.120119      2.374113
  C      -4.905521     -6.825558      2.041863
  C      -5.767984     -6.804375      3.300651
  N      -5.895219     -5.418206      3.759869
  Mo     -4.122756     -4.472156      3.984494
  N      -2.328442     -5.191837      4.591896
  C      -1.691149     -6.269879      3.827817
  C      -2.701914     -7.047406      3.019530
  H      -1.181135     -6.986393      4.495385
  H      -0.905793     -5.865229      3.164358
  H      -3.284572     -7.695043      3.689747
  H      -2.204607     -7.693261      2.273591
  H      -6.743428     -7.265987      3.092961
  H      -5.303154     -7.428765      4.083151
  H      -5.415203     -6.285531      1.234889
  H      -4.692990     -7.850776      1.690998
  H      -3.285232     -3.436675      0.360282
  H      -4.828370     -4.208413      0.723350
  H      -2.016060     -5.163412      1.477556
  H      -3.115996     -5.942350      0.308138
  C      -1.576164      0.495135      0.944940
  C      -1.515339     -0.308891      2.017143
  C      -0.842789      0.124861      3.291269
  C      -2.074583     -1.713786      1.989703
  C      -3.602272     -1.862467      2.301639
  C      -4.469005     -1.241726      1.190864
  C      -3.944260     -1.127267      3.594569
  C      -7.341937     -6.153913      6.700870
  C      -8.178122     -5.393356      5.966598
  C      -9.047176     -4.347447      6.605845
  C      -8.304936     -5.583984      4.478825
  C      -7.256159     -4.842184      3.574136
  C      -7.721419     -5.013809      2.110289
  C      -7.286102     -3.338909      3.857625
  C      -3.142951     -5.044521      8.672118
  C      -2.799056     -5.817975      7.623568
  C      -3.715355     -6.900608      7.132718
  C      -1.480197     -5.657989      6.915292
  C      -1.418831     -4.694787      5.679871
  C       0.053743     -4.675365      5.198353
  C      -1.704532     -3.256634      6.113757
  H      -1.173758      1.509232      0.972340
  H      -2.022973      0.166323      0.004472
  H      -1.510106      0.023184      4.160461
  H      -0.499808      1.165284      3.234020
  H       0.031301     -0.516113      3.495698
  H      -1.545670     -2.333259      2.731998
  H      -1.876483     -2.154846      1.001462
  H      -4.284728     -0.160297      1.147482
  H      -5.533812     -1.402459      1.414694
  H      -4.257128     -1.652506      0.195212
  H      -5.003402     -1.257869      3.847956
  H      -3.354784     -1.478480      4.447726
  H      -3.752476     -0.056012      3.450052
  H      -6.755869     -6.956348      6.247228
  H      -7.277807     -6.042109      7.786853
  H     -10.108827     -4.609014      6.465241
  H      -8.912750     -3.360431      6.136758
  H      -8.857630     -4.259417      7.685085
  H      -8.252771     -6.656348      4.241358
  H      -9.298535     -5.240421      4.152058
  H      -7.795409     -6.066839      1.807945
  H      -7.026778     -4.498298      1.432700
  H      -8.716918     -4.566047      1.982916
  H      -8.298280     -2.957379      3.658113
  H      -7.024398     -3.087084      4.889039
  H      -6.583573     -2.809636      3.199579
  H      -4.067083     -5.222127      9.230402
  H      -2.475465     -4.274109      9.056179
  H      -4.000667     -6.710576      6.084959
  H      -3.195179     -7.871057      7.136876
  H      -4.622750     -6.990849      7.742293
  H      -0.724979     -5.296719      7.628177
  H      -1.144008     -6.652573      6.579892
  H       0.460617     -5.675211      5.005339
  H       0.677448     -4.211633      5.973836
  H       0.147238     -4.071461      4.283577
  H      -2.706266     -3.106677      6.524304
  H      -0.966002     -2.963828      6.875344
  H      -1.595038     -2.579069      5.253656
  N      -4.618932     -3.403638      5.398594
  N      -5.225655     -3.841173      6.639251
  H      -5.934364     -4.612254      6.501560
  H      -4.486086     -4.199485      7.300074
  H      -5.702841     -3.051648      7.100115
88
Coordinates from ORCA-job orca E -5477.185001897876
  N      -3.866732     -3.319360      2.403851
  C      -3.796968     -4.041424      1.114062
  C      -3.071742     -5.370213      1.255662
  N      -3.658553     -6.119538      2.384237
  C      -4.919330     -6.813424      2.052858
  C      -5.779543     -6.785674      3.309825
  N      -5.902825     -5.400417      3.772224
  Mo     -4.131855     -4.448547      3.983101
  N      -2.352698     -5.184491      4.607152
  C      -1.715389     -6.267142      3.850864
  C      -2.723904     -7.045627      3.044284
  H      -1.205826     -6.978282      4.524549
  H      -0.930581     -5.865419      3.185087
  H      -3.315508     -7.683667      3.716217
  H      -2.222479     -7.702477      2.310451
  H      -6.756537     -7.244472      3.101332
  H      -5.317914     -7.414024      4.091036
  H      -5.426115     -6.267841      1.247924
  H      -4.715853     -7.840603      1.701093
  H      -3.264822     -3.449057      0.357238
  H      -4.817059     -4.203812      0.720043
  H      -2.014385     -5.182227      1.486819
  H      -3.121037     -5.953865      0.318562
  C      -1.531227      0.479612      0.912294
  C      -1.486745     -0.312148      1.994723
  C      -0.822432      0.131404      3.269619
  C      -2.054073     -1.714439      1.977289
  C      -3.583891     -1.853748      2.283175
  C      -4.443596     -1.241381      1.162788
  C      -3.930952     -1.106245      3.568034
  C      -7.331196     -6.222934      6.664520
  C      -8.176858     -5.441227      5.963204
  C      -9.038430     -4.414134      6.644549
  C      -8.315653     -5.584257      4.471866
  C      -7.264745     -4.823738      3.585685
  C      -7.717991     -4.971670      2.116117
  C      -7.303648     -3.324846      3.893615
  C      -3.147109     -5.046900      8.674845
  C      -2.797686     -5.817779      7.625033
  C      -3.707989     -6.905442      7.130788
  C      -1.480152     -5.643983      6.919215
  C      -1.437377     -4.679797      5.685292
  C       0.031163     -4.643023      5.193914
  C      -1.741107     -3.246456      6.125398
  H      -1.121274      1.491649      0.930190
  H      -1.971153      0.140816     -0.027802
  H      -1.499150      0.044809      4.134505
  H      -0.470873      1.170143      3.203743
  H       0.045876     -0.514098      3.489085
  H      -1.532935     -2.329820      2.728228
  H      -1.853293     -2.166115      0.994153
  H      -4.258507     -0.161199      1.111695
  H      -5.508801     -1.399708      1.382596
  H      -4.226634     -1.660346      0.172096
  H      -4.990392     -1.235974      3.819740
  H      -3.342887     -1.449098      4.426026
  H      -3.739015     -0.035815      3.414088
  H      -6.748239     -7.012808      6.185349
  H      -7.259871     -6.142582      7.752929
  H     -10.100207     -4.678339      6.519474
  H      -8.915948     -3.415477      6.198418
  H      -8.829605     -4.352000      7.720422
  H      -8.274325     -6.649428      4.201608
  H      -9.309072     -5.223216      4.164998
  H      -7.778972     -6.018453      1.789347
  H      -7.022986     -4.434911      1.455020
  H      -8.717363     -4.531947      1.991364
  H      -8.316446     -2.944792      3.698306
  H      -7.041177     -3.088818      4.929138
  H      -6.602951     -2.785171      3.243188
  H      -4.071904     -5.227914      9.232579
  H      -2.486447     -4.266686      9.058350
  H      -3.994324     -6.717040      6.082099
  H      -3.188016     -7.876346      7.141527
  H      -4.616414     -6.993976      7.740511
  H      -0.733515     -5.267143      7.634231
  H      -1.125437     -6.633573      6.587748
  H       0.449339     -5.637697      4.996641
  H       0.653508     -4.172549      5.966002
  H       0.109748     -4.036978      4.279362
  H      -2.743210     -3.107561      6.535287
  H      -1.009362     -2.951488      6.887786
  H      -1.637811     -2.562107      5.270899
  N      -4.637184     -3.373913      5.395286
  N      -5.220153     -3.875008      6.630869
  H      -5.938925     -4.630544      6.461210
  H      -4.474260     -4.266431      7.264949
  H      -5.680386     -3.104464      7.134261
88
Coordinates from ORCA-job orca E -5477.185186664745
  N      -3.847358     -3.318451      2.396051
  C      -3.776146     -4.047613      1.112214
  C      -3.061333     -5.381299      1.263291
  N      -3.659480     -6.123941      2.389647
  C      -4.924291     -6.806068      2.054427
  C      -5.785592     -6.778227      3.309326
  N      -5.905053     -5.395078      3.774987
  Mo     -4.136983     -4.436367      3.980303
  N      -2.369106     -5.184019      4.620940
  C      -1.732458     -6.270766      3.869710
  C      -2.738345     -7.050858      3.062980
  H      -1.221962     -6.977371      4.547492
  H      -0.949058     -5.871386      3.200732
  H      -3.338021     -7.684237      3.731550
  H      -2.230870     -7.714270      2.338795
  H      -6.763924     -7.233437      3.099072
  H      -5.327423     -7.410927      4.089135
  H      -5.425561     -6.252189      1.251554
  H      -4.728371     -7.833438      1.697955
  H      -3.234982     -3.463496      0.354647
  H      -4.794662     -4.206401      0.712340
  H      -2.002246     -5.202792      1.494891
  H      -3.113993     -5.964472      0.325356
  C      -1.513461      0.480225      0.899537
  C      -1.476958     -0.305010      1.986790
  C      -0.823305      0.146642      3.264248
  C      -2.040467     -1.708836      1.971697
  C      -3.570502     -1.853430      2.272162
  C      -4.428226     -1.246369      1.147842
  C      -3.927281     -1.108861      3.556146
  C      -7.329974     -6.216957      6.673315
  C      -8.174095     -5.434439      5.972409
  C      -9.034473     -4.408530      6.657280
  C      -8.316530     -5.576775      4.482075
  C      -7.268772     -4.816579      3.591691
  C      -7.725231     -4.966464      2.123652
  C      -7.309942     -3.316799      3.895857
  C      -3.138292     -5.099627      8.681634
  C      -2.775995     -5.847877      7.619328
  C      -3.670195     -6.940441      7.105368
  C      -1.460278     -5.637806      6.921606
  C      -1.443934     -4.672711      5.686891
  C       0.017265     -4.617918      5.178352
  C      -1.757811     -3.245120      6.139764
  H      -1.104751      1.493128      0.914360
  H      -1.944711      0.133771     -0.041811
  H      -1.505105      0.061740      4.125114
  H      -0.474824      1.186712      3.196691
  H       0.045395     -0.495151      3.491966
  H      -1.520183     -2.320658      2.726134
  H      -1.836214     -2.163563      0.990594
  H      -4.248831     -0.165801      1.097507
  H      -5.493273     -1.410397      1.362658
  H      -4.205072     -1.663921      0.158308
  H      -4.987341     -1.244484      3.802684
  H      -3.340041     -1.450624      4.415226
  H      -3.739147     -0.037370      3.405179
  H      -6.743580     -7.004606      6.196177
  H      -7.263727     -6.137772      7.762571
  H     -10.097373     -4.672185      6.535396
  H      -8.911443     -3.409653      6.213347
  H      -8.822263     -4.348824      7.732604
  H      -8.276307     -6.641434      4.211331
  H      -9.311912     -5.216817      4.181574
  H      -7.790036     -6.012344      1.796310
  H      -7.030086     -4.432170      1.461104
  H      -8.723525     -4.524311      2.000470
  H      -8.327826     -2.943680      3.716551
  H      -7.026715     -3.076248      4.924989
  H      -6.623822     -2.775706      3.231373
  H      -4.063100     -5.298049      9.231822
  H      -2.488300     -4.316487      9.080472
  H      -3.975672     -6.729667      6.065904
  H      -3.134580     -7.902858      7.085938
  H      -4.569539     -7.056710      7.724163
  H      -0.732839     -5.232758      7.641618
  H      -1.070586     -6.616551      6.596920
  H       0.444451     -5.606823      4.970993
  H       0.642191     -4.144522      5.946862
  H       0.078827     -4.005970      4.266203
  H      -2.757164     -3.115665      6.558892
  H      -1.023015     -2.950305      6.898962
  H      -1.667480     -2.553499      5.290182
  N      -4.657027     -3.379240      5.399786
  N      -5.266798     -3.873809      6.626179
  H      -5.970384     -4.638680      6.432697
  H      -4.540152     -4.251406      7.289002
  H      -5.750744     -3.102702      7.107893
88
Coordinates from ORCA-job orca E -5477.185407235838
  N      -3.834405     -3.320088      2.393221
  C      -3.756912     -4.049724      1.110395
  C      -3.053741     -5.385916      1.266048
  N      -3.658902     -6.126254      2.390167
  C      -4.925378     -6.804897      2.055524
  C      -5.787809     -6.778749      3.309875
  N      -5.904546     -5.394529      3.779077
  Mo     -4.137551     -4.436001      3.978901
  N      -2.376285     -5.189591      4.636145
  C      -1.737071     -6.274176      3.880969
  C      -2.739063     -7.052609      3.066949
  H      -1.228481     -6.984403      4.556294
  H      -0.951164     -5.872066      3.216513
  H      -3.339925     -7.689658      3.730016
  H      -2.227542     -7.712338      2.342301
  H      -6.767096     -7.231239      3.100132
  H      -5.331485     -7.411544      4.090622
  H      -5.424579     -6.246176      1.254382
  H      -4.733635     -7.831463      1.694309
  H      -3.205334     -3.469138      0.357585
  H      -4.772282     -4.201616      0.702020
  H      -1.994952     -5.211875      1.501939
  H      -3.105272     -5.968531      0.328053
  C      -1.536593      0.490524      0.885802
  C      -1.489920     -0.289104      1.976155
  C      -0.842104      0.175621      3.252215
  C      -2.039041     -1.697863      1.967504
  C      -3.567812     -1.853938      2.266401
  C      -4.428943     -1.256633      1.139554
  C      -3.930957     -1.111439      3.548745
  C      -7.360260     -6.194667      6.692114
  C      -8.187515     -5.409013      5.975588
  C      -9.041241     -4.367995      6.643299
  C      -8.320265     -5.565495      4.485640
  C      -7.268532     -4.813727      3.592919
  C      -7.724192     -4.973772      2.125662
  C      -7.309136     -3.312156      3.886903
  C      -3.146429     -5.151990      8.695606
  C      -2.771090     -5.878437      7.623526
  C      -3.647318     -6.976494      7.092651
  C      -1.455140     -5.643182      6.933374
  C      -1.447649     -4.675401      5.698154
  C       0.010302     -4.613469      5.183905
  C      -1.762106     -3.250468      6.156219
  H      -1.140028      1.507314      0.896806
  H      -1.965545      0.135835     -0.053800
  H      -1.520870      0.084732      4.113670
  H      -0.508313      1.218691      3.180753
  H       0.034392     -0.453433      3.481463
  H      -1.513319     -2.301397      2.725463
  H      -1.829554     -2.154948      0.988680
  H      -4.253745     -0.174411      1.082804
  H      -5.494149     -1.423737      1.356562
  H      -4.204949     -1.679060      0.151358
  H      -4.989952     -1.253655      3.795490
  H      -3.341969     -1.449026      4.408116
  H      -3.749886     -0.039540      3.397141
  H      -6.780149     -6.991894      6.224792
  H      -7.299455     -6.106263      7.780507
  H     -10.108218     -4.612318      6.503448
  H      -8.893846     -3.372740      6.197491
  H      -8.843363     -4.308464      7.723049
  H      -8.278446     -6.632512      4.226277
  H      -9.312996     -5.207660      4.174315
  H      -7.798250     -6.021983      1.808842
  H      -7.024847     -4.451878      1.458289
  H      -8.718172     -4.523329      1.997248
  H      -8.331929     -2.945762      3.717988
  H      -7.014504     -3.060256      4.910085
  H      -6.635139     -2.770159      3.209580
  H      -4.067891     -5.374280      9.240836
  H      -2.504622     -4.371805      9.109280
  H      -3.958364     -6.750742      6.058492
  H      -3.093037     -7.927200      7.049532
  H      -4.542409     -7.120678      7.710411
  H      -0.738204     -5.228738      7.657746
  H      -1.049291     -6.615009      6.608713
  H       0.440832     -5.599734      4.974118
  H       0.635572     -4.138342      5.951478
  H       0.068257     -3.999458      4.272929
  H      -2.761323     -3.123998      6.579213
  H      -1.022364     -2.955218      6.914725
  H      -1.677226     -2.556381      5.306939
  N      -4.666522     -3.368498      5.384616
  N      -5.227103     -3.882570      6.629268
  H      -5.943522     -4.639864      6.461848
  H      -4.474433     -4.280872      7.251282
  H      -5.682105     -3.115933      7.146719
88
Coordinates from ORCA-job orca E -5477.185565254428
  N      -3.832964     -3.318391      2.394724
  C      -3.759295     -4.048208      1.111550
  C      -3.060602     -5.387041      1.268107
  N      -3.666547     -6.124629      2.393983
  C      -4.932802     -6.803060      2.060188
  C      -5.796241     -6.773729      3.312261
  N      -5.908687     -5.388225      3.779410
  Mo     -4.135816     -4.435474      3.982939
  N      -2.375771     -5.193692      4.635001
  C      -1.739994     -6.280402      3.880962
  C      -2.746005     -7.053294      3.068804
  H      -1.234625     -6.992969      4.556177
  H      -0.951824     -5.881155      3.217525
  H      -3.348458     -7.685046      3.735722
  H      -2.241640     -7.716425      2.342472
  H      -6.776104     -7.223204      3.099639
  H      -5.345042     -7.406874      4.095767
  H      -5.431885     -6.243369      1.259511
  H      -4.741037     -7.829307      1.698637
  H      -3.206374     -3.469407      0.358589
  H      -4.775593     -4.195676      0.703792
  H      -2.002087     -5.213966      1.505652
  H      -3.111772     -5.973154      0.332767
  C      -1.525675      0.482536      0.880159
  C      -1.485595     -0.289846      1.976190
  C      -0.845274      0.183294      3.252989
  C      -2.034485     -1.698569      1.972490
  C      -3.564181     -1.853133      2.268335
  C      -4.422045     -1.255326      1.139159
  C      -3.929969     -1.111315      3.550304
  C      -7.351877     -6.227695      6.658981
  C      -8.189582     -5.433990      5.961202
  C      -9.038504     -4.402840      6.648796
  C      -8.328781     -5.563565      4.468427
  C      -7.270486     -4.806141      3.589429
  C      -7.717382     -4.952630      2.117767
  C      -7.315477     -3.307669      3.898790
  C      -3.139261     -5.112985      8.688979
  C      -2.767968     -5.861448      7.631563
  C      -3.642469     -6.973800      7.128416
  C      -1.453784     -5.642298      6.931156
  C      -1.444099     -4.678040      5.693660
  C       0.011908     -4.621222      5.174363
  C      -1.755939     -3.251395      6.147396
  H      -1.129245      1.499197      0.886588
  H      -1.949024      0.121420     -0.059555
  H      -1.530245      0.102085      4.110558
  H      -0.507776      1.224585      3.174638
  H       0.027899     -0.446277      3.494124
  H      -1.509811     -2.299732      2.733256
  H      -1.823493     -2.158983      0.995590
  H      -4.248758     -0.172612      1.082863
  H      -5.487883     -1.424450      1.351634
  H      -4.192976     -1.677117      0.151773
  H      -4.988097     -1.258525      3.797790
  H      -3.338974     -1.445773      4.409913
  H      -3.754440     -0.038662      3.398357
  H      -6.776210     -7.017975      6.174045
  H      -7.282961     -6.159044      7.748056
  H     -10.104922     -4.652760      6.524982
  H      -8.906293     -3.404603      6.203795
  H      -8.822773     -4.346823      7.724632
  H      -8.299685     -6.627048      4.191448
  H      -9.316991     -5.187671      4.163954
  H      -7.780054     -5.998253      1.788815
  H      -7.018573     -4.417125      1.460096
  H      -8.714775     -4.509379      1.987983
  H      -8.335899     -2.940527      3.719415
  H      -7.039394     -3.066025      4.928437
  H      -6.632867     -2.757349      3.237019
  H      -4.059225     -5.324685      9.239855
  H      -2.497943     -4.323741      9.082785
  H      -3.953739     -6.773055      6.089895
  H      -3.087079     -7.924412      7.111037
  H      -4.537503     -7.103933      7.749517
  H      -0.727048     -5.235586      7.649591
  H      -1.060893     -6.618878      6.605560
  H       0.439722     -5.609434      4.968231
  H       0.641249     -4.142787      5.936770
  H       0.068349     -4.012673      4.259816
  H      -2.751906     -3.128935      6.578916
  H      -1.010983     -2.950218      6.898970
  H      -1.679057     -2.560128      5.295339
  N      -4.661818     -3.374510      5.394448
  N      -5.233600     -3.877234      6.634451
  H      -5.956925     -4.631021      6.470977
  H      -4.489565     -4.278485      7.262170
  H      -5.686030     -3.104930      7.146667
88
Coordinates from ORCA-job orca E -5477.185671308305
  N      -3.824073     -3.322139      2.393078
  C      -3.746993     -4.055074      1.111821
  C      -3.057828     -5.398398      1.274475
  N      -3.672210     -6.128344      2.401164
  C      -4.939802     -6.801471      2.064883
  C      -5.805794     -6.766348      3.315179
  N      -5.910377     -5.380057      3.779851
  Mo     -4.134782     -4.431062      3.984407
  N      -2.379892     -5.195192      4.641373
  C      -1.748941     -6.288287      3.892665
  C      -2.757752     -7.059885      3.081506
  H      -1.247675     -6.999648      4.572400
  H      -0.957763     -5.896325      3.228768
  H      -3.365534     -7.684078      3.751376
  H      -2.257036     -7.729880      2.359130
  H      -6.787121     -7.210539      3.098657
  H      -5.361983     -7.401055      4.101738
  H      -5.434611     -6.239507      1.263197
  H      -4.752084     -7.828828      1.704308
  H      -3.186585     -3.480327      0.361188
  H      -4.762196     -4.196747      0.698400
  H      -1.999363     -5.231225      1.516154
  H      -3.108191     -5.988132      0.341571
  C      -1.520842      0.477696      0.869122
  C      -1.486101     -0.286564      1.971278
  C      -0.857376      0.198923      3.249107
  C      -2.029384     -1.697786      1.973999
  C      -3.560204     -1.856397      2.262638
  C      -4.414370     -1.265694      1.127390
  C      -3.934219     -1.111143      3.540396
  C      -7.337851     -6.235946      6.643595
  C      -8.184865     -5.440441      5.958676
  C      -9.035534     -4.419138      6.659207
  C      -8.330850     -5.554674      4.464693
  C      -7.269553     -4.793191      3.592527
  C      -7.714169     -4.923427      2.118717
  C      -7.312096     -3.297757      3.917767
  C      -3.150254     -5.119905      8.682082
  C      -2.765377     -5.866778      7.627689
  C      -3.625456     -6.986745      7.114942
  C      -1.448150     -5.635894      6.937355
  C      -1.445773     -4.677086      5.696424
  C       0.007217     -4.615612      5.171265
  C      -1.761116     -3.251580      6.152534
  H      -1.127994      1.496177      0.870770
  H      -1.934982      0.107986     -0.071214
  H      -1.549137      0.122624      4.101758
  H      -0.522581      1.240835      3.164592
  H       0.016117     -0.425405      3.502715
  H      -1.506616     -2.291922      2.741191
  H      -1.811362     -2.163939      1.001261
  H      -4.244369     -0.183189      1.066496
  H      -5.480457     -1.437125      1.335201
  H      -4.178733     -1.691964      0.143743
  H      -4.993348     -1.260606      3.782654
  H      -3.347403     -1.441512      4.404646
  H      -3.761067     -0.038083      3.386899
  H      -6.760548     -7.018958      6.149041
  H      -7.261571     -6.176733      7.732554
  H     -10.100633     -4.672971      6.539735
  H      -8.910568     -3.417589      6.220156
  H      -8.814983     -4.368890      7.733395
  H      -8.310599     -6.615964      4.178167
  H      -9.317131     -5.168072      4.166325
  H      -7.776875     -5.965920      1.778837
  H      -7.012993     -4.381410      1.468132
  H      -8.710944     -4.478024      1.991072
  H      -8.330757     -2.926759      3.740511
  H      -7.039462     -3.067320      4.950810
  H      -6.628209     -2.742252      3.263279
  H      -4.073445     -5.339002      9.225615
  H      -2.518533     -4.322068      9.078539
  H      -3.940405     -6.777410      6.079592
  H      -3.057534     -7.929627      7.089591
  H      -4.518507     -7.134073      7.736030
  H      -0.731442     -5.215619      7.657778
  H      -1.040202     -6.608911      6.619585
  H       0.437062     -5.602667      4.963750
  H       0.639150     -4.134540      5.929559
  H       0.057025     -4.008106      4.256089
  H      -2.751591     -3.137546      6.597344
  H      -1.010604     -2.943787      6.894407
  H      -1.700211     -2.559807      5.300710
  N      -4.659620     -3.368926      5.397379
  N      -5.235809     -3.883462      6.630163
  H      -5.952620     -4.641183      6.457759
  H      -4.493219     -4.284921      7.258797
  H      -5.697682     -3.118523      7.143830
88
Coordinates from ORCA-job orca E -5477.185767606403
  N      -3.813463     -3.326039      2.390883
  C      -3.732041     -4.059860      1.110416
  C      -3.052696     -5.408270      1.279124
  N      -3.675957     -6.131039      2.405788
  C      -4.944590     -6.799243      2.066291
  C      -5.812851     -6.760512      3.315145
  N      -5.911311     -5.373512      3.779658
  Mo     -4.133389     -4.428223      3.983662
  N      -2.385337     -5.199441      4.647704
  C      -1.757056     -6.296403      3.902805
  C      -2.766921     -7.065626      3.090457
  H      -1.260239     -7.008500      4.585459
  H      -0.962174     -5.909295      3.240776
  H      -3.378876     -7.685912      3.760166
  H      -2.268155     -7.739116      2.370081
  H      -6.795767     -7.199363      3.095208
  H      -5.374706     -7.397119      4.103230
  H      -5.436390     -6.233973      1.264979
  H      -4.760358     -7.826780      1.704244
  H      -3.162187     -3.488865      0.363960
  H      -4.745541     -4.193885      0.689427
  H      -1.994308     -5.247366      1.525781
  H      -3.101958     -6.001489      0.348468
  C      -1.516972      0.474832      0.860769
  C      -1.489081     -0.279563      1.969883
  C      -0.876437      0.221442      3.249483
  C      -2.024518     -1.693836      1.979564
  C      -3.556634     -1.859356      2.258710
  C      -4.407276     -1.274375      1.117872
  C      -3.941751     -1.113352      3.532919
  C      -7.344366     -6.219721      6.644821
  C      -8.192479     -5.426463      5.959554
  C      -9.053310     -4.413011      6.659955
  C      -8.335320     -5.538832      4.465094
  C      -7.268337     -4.782504      3.593578
  C      -7.713297     -4.911441      2.119683
  C      -7.305997     -3.287437      3.918240
  C      -3.148080     -5.137932      8.676464
  C      -2.748479     -5.885757      7.627854
  C      -3.587292     -7.022290      7.116593
  C      -1.433856     -5.637081      6.937739
  C      -1.446521     -4.677899      5.696738
  C       0.002038     -4.607076      5.160807
  C      -1.769431     -3.255999      6.160758
  H      -1.130060      1.495703      0.857613
  H      -1.919139      0.094804     -0.080458
  H      -1.577492      0.150631      4.094777
  H      -0.545294      1.264007      3.157705
  H      -0.002712     -0.395729      3.519619
  H      -1.503705     -2.279205      2.754691
  H      -1.797265     -2.166321      1.012118
  H      -4.243785     -0.191548      1.056609
  H      -5.473327     -1.452381      1.318896
  H      -4.162938     -1.700360      0.136712
  H      -5.001454     -1.269298      3.769692
  H      -3.357976     -1.438325      4.401275
  H      -3.775236     -0.039175      3.378990
  H      -6.763833     -7.000106      6.149781
  H      -7.273161     -6.165116      7.734501
  H     -10.116719     -4.672630      6.534430
  H      -8.931891     -3.409505      6.223703
  H      -8.839012     -4.363570      7.735845
  H      -8.323130     -6.599994      4.179090
  H      -9.317939     -5.144757      4.164525
  H      -7.781130     -5.953899      1.782053
  H      -7.008922     -4.374018      1.469271
  H      -8.707384     -4.461340      1.989955
  H      -8.326301     -2.917159      3.747444
  H      -7.027436     -3.056520      4.950236
  H      -6.626998     -2.731122      3.259722
  H      -4.070454     -5.367649      9.217536
  H      -2.529807     -4.327016      9.068375
  H      -3.914744     -6.811583      6.085401
  H      -2.997915     -7.951316      7.081188
  H      -4.472114     -7.192707      7.744305
  H      -0.722106     -5.206184      7.657213
  H      -1.012249     -6.604637      6.620327
  H       0.435918     -5.591869      4.948700
  H       0.637733     -4.123502      5.914206
  H       0.041618     -3.998260      4.245637
  H      -2.752494     -3.157139      6.625498
  H      -1.010666     -2.941921      6.890414
  H      -1.732712     -2.559659      5.310934
  N      -4.656059     -3.368663      5.400961
  N      -5.232014     -3.889524      6.629315
  H      -5.949768     -4.647050      6.454466
  H      -4.490725     -4.297372      7.255753
  H      -5.693835     -3.128382      7.148118
88
Coordinates from ORCA-job orca E -5477.185824589847
  N      -3.804696     -3.329010      2.389292
  C      -3.716547     -4.063675      1.109989
  C      -3.045489     -5.414525      1.285466
  N      -3.678289     -6.131536      2.410978
  C      -4.947562     -6.795274      2.065890
  C      -5.820136     -6.754953      3.312072
  N      -5.914376     -5.367936      3.777513
  Mo     -4.134369     -4.426468      3.983925
  N      -2.391356     -5.201295      4.656220
  C      -1.765313     -6.302508      3.915040
  C      -2.775934     -7.069316      3.100916
  H      -1.273074     -7.015754      4.599843
  H      -0.966753     -5.920393      3.254527
  H      -3.392322     -7.686607      3.768990
  H      -2.277712     -7.745319      2.382649
  H      -6.804321     -7.188302      3.087042
  H      -5.387822     -7.394654      4.100738
  H      -5.434951     -6.227341      1.263717
  H      -4.765587     -7.822945      1.703009
  H      -3.136994     -3.495902      0.368405
  H      -4.727122     -4.192084      0.680678
  H      -1.987544     -5.258917      1.536958
  H      -3.093247     -6.010064      0.356244
  C      -1.518183      0.471834      0.848201
  C      -1.492859     -0.272797      1.963771
  C      -0.889181      0.242956      3.241643
  C      -2.021367     -1.689701      1.982313
  C      -3.554135     -1.861400      2.255207
  C      -4.402752     -1.282892      1.109484
  C      -3.948246     -1.114269      3.526071
  C      -7.337678     -6.220195      6.639805
  C      -8.185620     -5.421828      5.960461
  C      -9.037228     -4.406003      6.667022
  C      -8.337218     -5.528658      4.466431
  C      -7.269749     -4.774066      3.593791
  C      -7.715452     -4.900042      2.119740
  C      -7.305546     -3.279909      3.921419
  C      -3.161566     -5.158899      8.673254
  C      -2.746317     -5.901700      7.627215
  C      -3.567168     -7.048550      7.110750
  C      -1.431602     -5.636555      6.943296
  C      -1.451215     -4.677019      5.701816
  C      -0.004613     -4.601612      5.161259
  C      -1.776522     -3.256752      6.168775
  H      -1.136323      1.494707      0.838599
  H      -1.913685      0.082015     -0.091818
  H      -1.595166      0.178490      4.083432
  H      -0.560527      1.285843      3.141264
  H      -0.015211     -0.368701      3.522972
  H      -1.501224     -2.266230      2.764629
  H      -1.786860     -2.168771      1.019704
  H      -4.243490     -0.199356      1.046499
  H      -5.468953     -1.465467      1.306823
  H      -4.153006     -1.710163      0.130037
  H      -5.008831     -1.272239      3.756930
  H      -3.369325     -1.435997      4.398640
  H      -3.784335     -0.039909      3.371722
  H      -6.763733     -7.002310      6.140142
  H      -7.258634     -6.167226      7.728976
  H     -10.102802     -4.659042      6.544328
  H      -8.912366     -3.401978      6.233034
  H      -8.818341     -4.361254      7.742372
  H      -8.332274     -6.588731      4.176011
  H      -9.318529     -5.127230      4.171364
  H      -7.786825     -5.942274      1.782319
  H      -7.008860     -4.364833      1.469982
  H      -8.707963     -4.446291      1.989748
  H      -8.325910     -2.909141      3.753151
  H      -7.025504     -3.052323      4.953492
  H      -6.627467     -2.720930      3.264440
  H      -4.082976     -5.401263      9.210447
  H      -2.554398     -4.343256      9.069193
  H      -3.900483     -6.834444      6.082305
  H      -2.960736     -7.965957      7.064193
  H      -4.447456     -7.239519      7.738591
  H      -0.727665     -5.196238      7.664678
  H      -0.997027     -6.599072      6.628499
  H       0.430585     -5.585238      4.947798
  H       0.633095     -4.116848      5.912111
  H       0.030467     -3.992868      4.245839
  H      -2.751640     -3.165920      6.651565
  H      -1.007697     -2.937400      6.886317
  H      -1.759627     -2.560055      5.318976
  N      -4.659616     -3.366197      5.399277
  N      -5.231597     -3.892478      6.626045
  H      -5.948149     -4.650974      6.451229
  H      -4.488832     -4.303670      7.250831
  H      -5.694673     -3.135277      7.149420
88
Coordinates from ORCA-job orca E -5477.185866087878
  N      -3.804385     -3.329946      2.388915
  C      -3.713253     -4.063762      1.109265
  C      -3.043355     -5.414936      1.287207
  N      -3.678172     -6.129942      2.413030
  C      -4.947435     -6.793501      2.064855
  C      -5.822245     -6.753133      3.309860
  N      -5.917281     -5.366058      3.775762
  Mo     -4.135897     -4.426793      3.983134
  N      -2.393529     -5.201621      4.658459
  C      -1.766852     -6.302863      3.917504
  C      -2.777459     -7.069251      3.103014
  H      -1.274882     -7.016803      4.601670
  H      -0.968018     -5.920672      3.257338
  H      -3.394369     -7.687419      3.769434
  H      -2.278913     -7.744203      2.383961
  H      -6.806638     -7.185353      3.083493
  H      -5.390404     -7.393811      4.097959
  H      -5.433280     -6.225785      1.261582
  H      -4.764554     -7.821216      1.702741
  H      -3.129528     -3.496563      0.370511
  H      -4.722413     -4.189776      0.676390
  H      -1.985332     -5.260776      1.538924
  H      -3.091590     -6.011588      0.358755
  C      -1.517583      0.467485      0.843513
  C      -1.493416     -0.272079      1.962321
  C      -0.892872      0.250358      3.238956
  C      -2.020422     -1.689434      1.986175
  C      -3.553724     -1.861599      2.255465
  C      -4.400489     -1.283593      1.108046
  C      -3.949871     -1.113483      3.525151
  C      -7.338169     -6.216602      6.638480
  C      -8.185894     -5.417253      5.960702
  C      -9.035273     -4.400992      6.669212
  C      -8.339971     -5.523703      4.467335
  C      -7.272249     -4.771631      3.592345
  C      -7.719576     -4.900356      2.118913
  C      -7.306627     -3.276858      3.916959
  C      -3.165935     -5.166072      8.670570
  C      -2.742642     -5.910616      7.629026
  C      -3.554264     -7.065798      7.117146
  C      -1.430359     -5.637993      6.943704
  C      -1.453713     -4.676202      5.703435
  C      -0.007266     -4.598380      5.161549
  C      -1.781862     -3.257212      6.171775
  H      -1.137061      1.490758      0.830210
  H      -1.911373      0.073148     -0.095436
  H      -1.600711      0.189116      4.079169
  H      -0.564976      1.292822      3.134712
  H      -0.019256     -0.358931      3.525095
  H      -1.502243     -2.261055      2.773396
  H      -1.782008     -2.173111      1.026841
  H      -4.242322     -0.199528      1.047039
  H      -5.467029     -1.468225      1.303077
  H      -4.148394     -1.709183      0.128312
  H      -5.011209     -1.269465      3.753853
  H      -3.373585     -1.434756      4.399360
  H      -3.784426     -0.039541      3.370067
  H      -6.765939     -6.999309      6.137149
  H      -7.257471     -6.163822      7.727569
  H     -10.101377     -4.653258      6.547415
  H      -8.910250     -3.396466      6.236633
  H      -8.815325     -4.357972      7.744516
  H      -8.337589     -6.583498      4.175647
  H      -9.320944     -5.120212      4.174313
  H      -7.792829     -5.943250      1.784161
  H      -7.012612     -4.367743      1.467566
  H      -8.711572     -4.445510      1.988864
  H      -8.326558     -2.904975      3.747413
  H      -7.025790     -3.048612      4.948856
  H      -6.626972     -2.719544      3.259780
  H      -4.085481     -5.413349      9.208423
  H      -2.565468     -4.344319      9.063695
  H      -3.891552     -6.857102      6.088513
  H      -2.938947     -7.977210      7.068589
  H      -4.431514     -7.264455      7.746391
  H      -0.727094     -5.195652      7.664645
  H      -0.992529     -6.598197      6.627133
  H       0.428638     -5.581594      4.947004
  H       0.630932     -4.113835      5.912165
  H       0.026012     -3.989051      4.246158
  H      -2.751324     -3.171264      6.666636
  H      -1.006924     -2.934712      6.881329
  H      -1.777977     -2.560681      5.322146
  N      -4.660392     -3.364381      5.397303
  N      -5.227548     -3.891946      6.625221
  H      -5.946311     -4.648921      6.451182
  H      -4.483595     -4.306636      7.247629
  H      -5.687444     -3.135636      7.153649
88
Coordinates from ORCA-job orca E -5477.185892172013
  N      -3.807529     -3.330102      2.388722
  C      -3.715332     -4.063374      1.108896
  C      -3.044516     -5.413914      1.287387
  N      -3.678105     -6.128153      2.414427
  C      -4.947486     -6.792602      2.064979
  C      -5.823308     -6.752183      3.309239
  N      -5.919879     -5.365124      3.774458
  Mo     -4.137659     -4.427842      3.982896
  N      -2.393407     -5.200457      4.658120
  C      -1.766282     -6.301412      3.916932
  C      -2.777265     -7.068250      3.102996
  H      -1.272992     -7.015045      4.600378
  H      -0.968660     -5.918684      3.255561
  H      -3.393674     -7.687620      3.768647
  H      -2.278309     -7.742088      2.383102
  H      -6.807454     -7.185109      3.082984
  H      -5.390492     -7.392847      4.096895
  H      -5.432387     -6.226174      1.260280
  H      -4.763256     -7.820692      1.704860
  H      -3.130403     -3.495994      0.371163
  H      -4.723910     -4.189317      0.675020
  H      -1.985958     -5.259784      1.536580
  H      -3.094786     -6.010902      0.359223
  C      -1.515192      0.463582      0.844861
  C      -1.492592     -0.274105      1.964865
  C      -0.891343      0.249281      3.240773
  C      -2.021336     -1.690786      1.990853
  C      -3.555474     -1.861345      2.255751
  C      -4.399317     -1.283958      1.105892
  C      -3.953964     -1.112201      3.523961
  C      -7.335752     -6.217396      6.636461
  C      -8.183507     -5.416378      5.960627
  C      -9.028690     -4.398263      6.671649
  C      -8.341006     -5.522511      4.467777
  C      -7.274651     -4.771069      3.590620
  C      -7.723263     -4.901831      2.117761
  C      -7.307716     -3.275675      3.913154
  C      -3.169381     -5.167697      8.668963
  C      -2.742036     -5.912564      7.629148
  C      -3.549517     -7.072236      7.120760
  C      -1.430786     -5.636825      6.943621
  C      -1.454929     -4.674259      5.703584
  C      -0.007919     -4.595830      5.162353
  C      -1.784561     -3.255594      6.171416
  H      -1.132923      1.486167      0.829853
  H      -1.909563      0.068261     -0.093412
  H      -1.600019      0.190862      4.080557
  H      -0.560995      1.290969      3.135179
  H      -0.019159     -0.361582      3.528506
  H      -1.506356     -2.260358      2.781674
  H      -1.779682     -2.177257      1.033917
  H      -4.242336     -0.199584      1.046690
  H      -5.466023     -1.470313      1.297822
  H      -4.144018     -1.707964      0.126277
  H      -5.016319     -1.265013      3.749654
  H      -3.380736     -1.433820      4.400221
  H      -3.785530     -0.038849      3.367937
  H      -6.766250     -7.001130      6.133861
  H      -7.252541     -6.164097      7.725440
  H     -10.095593     -4.648412      6.551825
  H      -8.902287     -3.393197      6.240694
  H      -8.806568     -4.357652      7.746664
  H      -8.338606     -6.582002      4.174756
  H      -9.322949     -5.119444      4.177506
  H      -7.797333     -5.945095      1.783895
  H      -7.016447     -4.370282      1.465283
  H      -8.715285     -4.446720      1.988491
  H      -8.326390     -2.901243      3.740042
  H      -7.027893     -3.047760      4.945467
  H      -6.624024     -2.721267      3.256925
  H      -4.087102     -5.418289      9.208695
  H      -2.571597     -4.343794      9.061872
  H      -3.888229     -6.869211      6.091220
  H      -2.930701     -7.981474      7.072973
  H      -4.425890     -7.273266      7.750394
  H      -0.728286     -5.193427      7.664739
  H      -0.991366     -6.595913      6.626283
  H       0.427684     -5.578968      4.946411
  H       0.629990     -4.112925      5.914280
  H       0.025373     -3.985223      4.247678
  H      -2.749194     -3.170932      6.675514
  H      -1.004750     -2.930429      6.874054
  H      -1.789931     -2.560551      5.321088
  N      -4.660021     -3.363032      5.396045
  N      -5.227497     -3.890799      6.624036
  H      -5.946318     -4.646725      6.447531
  H      -4.484440     -4.307060      7.247123
  H      -5.686224     -3.134717      7.153681
88
Coordinates from ORCA-job orca E -5477.185874692416
  N      -3.822358     -3.322665      2.391848
  C      -3.740919     -4.060283      1.113775
  C      -3.056637     -5.404585      1.286577
  N      -3.673643     -6.123753      2.419131
  C      -4.942159     -6.797433      2.082213
  C      -5.811193     -6.754792      3.330583
  N      -5.914979     -5.366005      3.788195
  Mo     -4.136119     -4.422097      3.989131
  N      -2.382184     -5.184946      4.653614
  C      -1.750822     -6.281126      3.909663
  C      -2.760898     -7.055453      3.102097
  H      -1.249381     -6.990251      4.591606
  H      -0.959918     -5.892483      3.243467
  H      -3.369092     -7.678010      3.772827
  H      -2.260696     -7.727130      2.380941
  H      -6.793174     -7.197661      3.114319
  H      -5.368899     -7.387246      4.119854
  H      -5.433696     -6.239361      1.275851
  H      -4.753966     -7.826993      1.728482
  H      -3.171930     -3.490741      0.365480
  H      -4.753978     -4.198254      0.694373
  H      -1.997043     -5.240638      1.525196
  H      -3.111026     -6.001216      0.358266
  C      -1.517067      0.461250      0.841285
  C      -1.487097     -0.286060      1.954962
  C      -0.866995      0.220277      3.228866
  C      -2.027656     -1.698170      1.976153
  C      -3.560119     -1.856270      2.254319
  C      -4.408326     -1.275136      1.109804
  C      -3.942591     -1.102299      3.524236
  C      -7.339668     -6.205154      6.657265
  C      -8.183706     -5.408725      5.970095
  C      -9.027190     -4.379802      6.668094
  C      -8.334975     -5.529731      4.477486
  C      -7.272287     -4.777996      3.597903
  C      -7.718821     -4.918357      2.125561
  C      -7.309334     -3.280063      3.911545
  C      -3.220549     -5.203917      8.631018
  C      -2.760471     -5.937673      7.597293
  C      -3.537982     -7.111196      7.072156
  C      -1.439650     -5.639441      6.941523
  C      -1.453806     -4.665432      5.711615
  C      -0.002140     -4.575942      5.185523
  C      -1.791773     -3.251320      6.186077
  H      -1.126030      1.480287      0.829747
  H      -1.925800      0.076755     -0.095511
  H      -1.565145      0.157292      4.077381
  H      -0.531784      1.260742      3.130179
  H       0.004766     -0.399417      3.498913
  H      -1.510528     -2.277612      2.758181
  H      -1.799381     -2.180108      1.013623
  H      -4.243539     -0.191796      1.046877
  H      -5.475071     -1.452158      1.310356
  H      -4.163360     -1.703185      0.129127
  H      -5.004012     -1.246728      3.759279
  H      -3.363379     -1.427065      4.395517
  H      -3.766112     -0.030777      3.363969
  H      -6.768394     -6.994193      6.165433
  H      -7.260660     -6.139912      7.745747
  H     -10.094034     -4.627992      6.549918
  H      -8.896576     -3.379928      6.227098
  H      -8.806108     -4.328628      7.742251
  H      -8.320533     -6.591941      4.194279
  H      -9.320382     -5.139838      4.180963
  H      -7.786665     -5.963253      1.794092
  H      -7.015391     -4.384816      1.470467
  H      -8.713741     -4.469488      1.995444
  H      -8.325672     -2.904790      3.727962
  H      -7.036919     -3.044955      4.943818
  H      -6.619380     -2.732966      3.255447
  H      -4.144254     -5.471422      9.151321
  H      -2.645926     -4.369579      9.038972
  H      -3.826322     -6.936718      6.022380
  H      -2.915587     -8.019476      7.076654
  H      -4.442647     -7.303450      7.663271
  H      -0.757108     -5.196119      7.681338
  H      -0.983199     -6.589736      6.621738
  H       0.439996     -5.554239      4.962878
  H       0.625013     -4.098373      5.949917
  H       0.037481     -3.954928      4.278772
  H      -2.769096     -3.165518      6.664188
  H      -1.028189     -2.932662      6.909355
  H      -1.773412     -2.550769      5.340646
  N      -4.655389     -3.350274      5.397302
  N      -5.228945     -3.864111      6.631365
  H      -5.948114     -4.619148      6.458165
  H      -4.487456     -4.272031      7.259051
  H      -5.686401     -3.099545      7.149791
88
Coordinates from ORCA-job orca E -5477.185701193215
  N      -3.825160     -3.324066      2.397209
  C      -3.741967     -4.057678      1.116821
  C      -3.057314     -5.402492      1.285588
  N      -3.675001     -6.125910      2.415147
  C      -4.942846     -6.799462      2.075069
  C      -5.813284     -6.760470      3.322707
  N      -5.918084     -5.372789      3.783963
  Mo     -4.139793     -4.429101      3.990215
  N      -2.384959     -5.193609      4.653287
  C      -1.752694     -6.286280      3.904939
  C      -2.761596     -7.059239      3.094900
  H      -1.249056     -6.996734      4.583824
  H      -0.963065     -5.893572      3.239427
  H      -3.369020     -7.685113      3.763218
  H      -2.260596     -7.727447      2.371155
  H      -6.794836     -7.203360      3.104586
  H      -5.371543     -7.394435      4.111030
  H      -5.433563     -6.239368      1.269629
  H      -4.753630     -7.827894      1.718517
  H      -3.172614     -3.485487      0.370912
  H      -4.754654     -4.194736      0.696111
  H      -1.998016     -5.238913      1.526063
  H      -3.110496     -5.996076      0.355232
  C      -1.512695      0.462482      0.865638
  C      -1.486659     -0.288263      1.977097
  C      -0.872273      0.214253      3.255292
  C      -2.027839     -1.700161      1.992408
  C      -3.561093     -1.857555      2.265169
  C      -4.405251     -1.271224      1.120386
  C      -3.946423     -1.107467      3.536470
  C      -7.340926     -6.185805      6.664205
  C      -8.186607     -5.396764      5.971047
  C      -9.033583     -4.365472      6.661331
  C      -8.337287     -5.529352      4.479410
  C      -7.275044     -4.783627      3.594252
  C      -7.724885     -4.929429      2.123544
  C      -7.307904     -3.284311      3.901575
  C      -3.201871     -5.168413      8.623774
  C      -2.740326     -5.920833      7.603971
  C      -3.510604     -7.110069      7.104876
  C      -1.422905     -5.629112      6.939029
  C      -1.445394     -4.668197      5.698604
  C       0.000814     -4.591398      5.156295
  C      -1.770377     -3.247633      6.162363
  H      -1.121782      1.481486      0.858839
  H      -1.917841      0.080915     -0.074014
  H      -1.573484      0.147425      4.100831
  H      -0.538099      1.255095      3.161655
  H      -0.001151     -0.405214      3.526522
  H      -1.513795     -2.281882      2.774662
  H      -1.796821     -2.179906      1.029277
  H      -4.239312     -0.187570      1.062359
  H      -5.473142     -1.448118      1.316720
  H      -4.157387     -1.695573      0.138739
  H      -5.008931     -1.251190      3.767509
  H      -3.370784     -1.436327      4.408163
  H      -3.767495     -0.035682      3.380855
  H      -6.766339     -6.976080      6.177923
  H      -7.262619     -6.112530      7.752098
  H     -10.099730     -4.617189      6.544440
  H      -8.905351     -3.368661      6.213317
  H      -8.813220     -4.305838      7.735081
  H      -8.322061     -6.593607      4.204471
  H      -9.322928     -5.142524      4.179902
  H      -7.794993     -5.975500      1.796622
  H      -7.022350     -4.399662      1.464531
  H      -8.719412     -4.479598      1.993852
  H      -8.323308     -2.906920      3.717789
  H      -7.033573     -3.044932      4.932411
  H      -6.617455     -2.742182      3.242106
  H      -4.123103     -5.429921      9.150567
  H      -2.628790     -4.325255      9.015974
  H      -3.778164     -6.973382      6.044410
  H      -2.889259     -8.017961      7.151925
  H      -4.425675     -7.281794      7.686057
  H      -0.737359     -5.176360      7.670350
  H      -0.967110     -6.582470      6.627825
  H       0.434655     -5.574055      4.937146
  H       0.639154     -4.111030      5.909588
  H       0.034254     -3.978522      4.243900
  H      -2.739802     -3.152345      6.653613
  H      -0.995056     -2.923985      6.870901
  H      -1.761560     -2.556489      5.309256
  N      -4.663652     -3.363656      5.401298
  N      -5.282908     -3.880733      6.612115
  H      -6.024554     -4.605322      6.407172
  H      -4.571022     -4.330612      7.245854
  H      -5.724067     -3.110615      7.137035
88
Coordinates from ORCA-job orca E -5477.185748995325
  N      -3.821151     -3.330019      2.396684
  C      -3.733979     -4.060276      1.114875
  C      -3.058653     -5.409476      1.285009
  N      -3.682969     -6.128663      2.414133
  C      -4.952368     -6.796759      2.069181
  C      -5.825208     -6.757044      3.315351
  N      -5.924213     -5.369941      3.779235
  Mo     -4.141750     -4.434222      3.989138
  N      -2.390105     -5.205391      4.654239
  C      -1.762412     -6.300145      3.904481
  C      -2.774071     -7.068434      3.092238
  H      -1.260226     -7.013201      4.582019
  H      -0.971514     -5.910079      3.238977
  H      -3.384030     -7.694547      3.757797
  H      -2.275529     -7.736134      2.366424
  H      -6.808486     -7.193918      3.092596
  H      -5.388836     -7.395215      4.103142
  H      -5.439359     -6.232588      1.264299
  H      -4.766240     -7.825009      1.710469
  H      -3.155489     -3.489428      0.374739
  H      -4.744935     -4.189137      0.687089
  H      -1.998652     -5.253185      1.527161
  H      -3.114101     -6.003486      0.355072
  C      -1.511485      0.462875      0.878512
  C      -1.495168     -0.280745      1.994701
  C      -0.896146      0.232831      3.275596
  C      -2.029554     -1.695533      2.012458
  C      -3.565396     -1.861657      2.267725
  C      -4.402135     -1.280048      1.115069
  C      -3.969679     -1.115683      3.535613
  C      -7.372383     -6.203659      6.641814
  C      -8.212647     -5.408198      5.950280
  C      -9.071230     -4.389773      6.645099
  C      -8.350707     -5.523893      4.456070
  C      -7.277223     -4.775036      3.585342
  C      -7.716037     -4.908895      2.110205
  C      -7.306122     -3.278103      3.902330
  C      -3.165000     -5.112714      8.643246
  C      -2.726953     -5.883955      7.626418
  C      -3.518671     -7.067547      7.150536
  C      -1.413189     -5.620786      6.941393
  C      -1.438712     -4.676453      5.686486
  C       0.002581     -4.621853      5.128361
  C      -1.745721     -3.248226      6.139828
  H      -1.124727      1.483783      0.869908
  H      -1.904002      0.073962     -0.063107
  H      -1.607559      0.170782      4.113035
  H      -0.562676      1.274407      3.177585
  H      -0.026375     -0.382550      3.562134
  H      -1.521416     -2.269286      2.804498
  H      -1.783830     -2.180069      1.055627
  H      -4.245566     -0.195408      1.061573
  H      -5.469975     -1.467411      1.299264
  H      -4.140174     -1.699424      0.135352
  H      -5.034350     -1.264876      3.753138
  H      -3.403541     -1.442883      4.414369
  H      -3.795088     -0.042556      3.384192
  H      -6.791221     -6.985964      6.151411
  H      -7.304001     -6.143193      7.731416
  H     -10.135634     -4.643080      6.511030
  H      -8.940652     -3.385917      6.213127
  H      -8.864736     -4.345105      7.723031
  H      -8.339549     -6.585036      4.170327
  H      -9.331572     -5.128422      4.152028
  H      -7.788898     -5.952511      1.777061
  H      -7.004994     -4.379133      1.460824
  H      -8.706894     -4.453058      1.974487
  H      -8.319595     -2.896519      3.714336
  H      -7.037619     -3.047428      4.936998
  H      -6.609437     -2.732748      3.251812
  H      -4.082593     -5.356152      9.186314
  H      -2.569210     -4.281162      9.023875
  H      -3.794768     -6.937922      6.091921
  H      -2.907487     -7.982453      7.199679
  H      -4.430299     -7.221300      7.742921
  H      -0.713056     -5.164925      7.657127
  H      -0.972815     -6.584457      6.639543
  H       0.421251     -5.612322      4.913470
  H       0.655823     -4.143420      5.869801
  H       0.033587     -4.018001      4.209434
  H      -2.696122     -3.146107      6.665271
  H      -0.947308     -2.918378      6.818314
  H      -1.765423     -2.566507      5.279511
  N      -4.659931     -3.373389      5.406095
  N      -5.211625     -3.909977      6.638730
  H      -5.920382     -4.674076      6.463695
  H      -4.457634     -4.324703      7.250314
  H      -5.672376     -3.160604      7.175035
88
Coordinates from ORCA-job orca E -5477.185202680980
  N      -3.816531     -3.322044      2.375944
  C      -3.731561     -4.066748      1.102472
  C      -3.055345     -5.413357      1.287673
  N      -3.681320     -6.120605      2.422777
  C      -4.950086     -6.792054      2.083709
  C      -5.824079     -6.738221      3.328405
  N      -5.924598     -5.346397      3.778514
  Mo     -4.143540     -4.406513      3.980452
  N      -2.397476     -5.174468      4.661548
  C      -1.764937     -6.274132      3.922488
  C      -2.772866     -7.051090      3.113474
  H      -1.266879     -6.981859      4.608725
  H      -0.970616     -5.889478      3.258461
  H      -3.384509     -7.670860      3.783615
  H      -2.271329     -7.726123      2.396500
  H      -6.806808     -7.179048      3.110765
  H      -5.387147     -7.366742      4.123620
  H      -5.436568     -6.237035      1.272162
  H      -4.763969     -7.824227      1.736469
  H      -3.154968     -3.504322      0.354546
  H      -4.743259     -4.201255      0.677920
  H      -1.996245     -5.253232      1.531187
  H      -3.107726     -6.017242      0.364034
  C      -1.489593      0.443998      0.812210
  C      -1.471470     -0.292924      1.932826
  C      -0.859681      0.223904      3.206389
  C      -2.016075     -1.703682      1.962643
  C      -3.551331     -1.856958      2.231143
  C      -4.391441     -1.279359      1.078739
  C      -3.941992     -1.096336      3.494954
  C      -7.350534     -6.259083      6.616896
  C      -8.196983     -5.447101      5.952566
  C      -9.051020     -4.447012      6.679196
  C      -8.346885     -5.527192      4.457284
  C      -7.281869     -4.757012      3.594922
  C      -7.725480     -4.872920      2.119572
  C      -7.320376     -3.265253      3.934007
  C      -3.124898     -5.252119      8.720037
  C      -2.724012     -5.952180      7.638751
  C      -3.541244     -7.091880      7.104169
  C      -1.425248     -5.652703      6.938939
  C      -1.470802     -4.657982      5.723475
  C      -0.025046     -4.537252      5.186450
  C      -1.829402     -3.258343      6.227124
  H      -1.095603      1.462147      0.794847
  H      -1.890868      0.052175     -0.124427
  H      -1.565034      0.171418      4.049379
  H      -0.520087      1.262737      3.099914
  H       0.008192     -0.395558      3.489958
  H      -1.505639     -2.277387      2.753242
  H      -1.782197     -2.195033      1.006330
  H      -4.226162     -0.196932      1.013202
  H      -5.459293     -1.455465      1.272066
  H      -4.139931     -1.710606      0.101643
  H      -5.005599     -1.238691      3.722138
  H      -3.370504     -1.418261      4.372421
  H      -3.763358     -0.025514      3.332192
  H      -6.773673     -7.029440      6.102107
  H      -7.273555     -6.226556      7.707242
  H     -10.116331     -4.698663      6.548696
  H      -8.925452     -3.432936      6.269535
  H      -8.834820     -4.427121      7.756105
  H      -8.335696     -6.581861      4.148175
  H      -9.331035     -5.127514      4.169557
  H      -7.791197     -5.912098      1.771817
  H      -7.021646     -4.328047      1.475069
  H      -8.720434     -4.423383      1.994055
  H      -8.338332     -2.889802      3.757973
  H      -7.048003     -3.046833      4.970647
  H      -6.632931     -2.704495      3.287206
  H      -4.030224     -5.526169      9.269990
  H      -2.511892     -4.452634      9.140017
  H      -3.843582     -6.883934      6.065098
  H      -2.940405     -8.014688      7.077055
  H      -4.439175     -7.275979      7.708960
  H      -0.714465     -5.225998      7.662028
  H      -0.986000     -6.600522      6.588431
  H       0.429197     -5.504875      4.940987
  H       0.602868     -4.065775      5.953903
  H      -0.002034     -3.898074      4.291214
  H      -2.797745     -3.205187      6.729200
  H      -1.058479     -2.933935      6.939024
  H      -1.846955     -2.542601      5.393894
  N      -4.664525     -3.320509      5.377239
  N      -5.218441     -3.826542      6.620081
  H      -5.925269     -4.597249      6.463975
  H      -4.463111     -4.219748      7.243855
  H      -5.683133     -3.064267      7.134140
88
Coordinates from ORCA-job orca E -5477.185881582495
  N      -3.819967     -3.323741      2.387655
  C      -3.732955     -4.058082      1.108034
  C      -3.053125     -5.405166      1.281944
  N      -3.675878     -6.123996      2.412029
  C      -4.943346     -6.796474      2.069456
  C      -5.815553     -6.755370      3.316030
  N      -5.919344     -5.366911      3.775489
  Mo     -4.140579     -4.424288      3.982016
  N      -2.390601     -5.190509      4.653510
  C      -1.757582     -6.285917      3.908632
  C      -2.765344     -7.058263      3.095541
  H      -1.257949     -6.996997      4.589983
  H      -0.964761     -5.896557      3.245651
  H      -3.375614     -7.683544      3.761863
  H      -2.263563     -7.727420      2.373259
  H      -6.797356     -7.196868      3.096032
  H      -5.375599     -7.388647      4.105865
  H      -5.432742     -6.236291      1.263160
  H      -4.754639     -7.825184      1.713563
  H      -3.157407     -3.488096      0.365097
  H      -4.744156     -4.191100      0.682156
  H      -1.994138     -5.244446      1.525494
  H      -3.105008     -6.001644      0.353507
  C      -1.509747      0.458439      0.842186
  C      -1.483592     -0.286571      1.957340
  C      -0.868006      0.222980      3.232078
  C      -2.024381     -1.698738      1.979819
  C      -3.557580     -1.856686      2.254839
  C      -4.403907     -1.270517      1.111458
  C      -3.941785     -1.106149      3.526585
  C      -7.309891     -6.194336      6.649811
  C      -8.163290     -5.399222      5.974183
  C      -8.999462     -4.371040      6.682041
  C      -8.334353     -5.522240      4.484096
  C      -7.277034     -4.778456      3.591310
  C      -7.734527     -4.927173      2.123129
  C      -7.310234     -3.279572      3.897693
  C      -3.212828     -5.192962      8.642833
  C      -2.759297     -5.932454      7.610097
  C      -3.538012     -7.107734      7.094154
  C      -1.442046     -5.638876      6.943851
  C      -1.464143     -4.666777      5.711379
  C      -0.012413     -4.564437      5.186476
  C      -1.817033     -3.257061      6.189325
  H      -1.118972      1.477717      0.830307
  H      -1.915115      0.072361     -0.095296
  H      -1.569413      0.162120      4.077776
  H      -0.532396      1.263223      3.131809
  H       0.002800     -0.395555      3.507294
  H      -1.508950     -2.276645      2.764006
  H      -1.794274     -2.183012      1.018845
  H      -4.240307     -0.186975      1.054628
  H      -5.470881     -1.449959      1.308413
  H      -4.156435     -1.692982      0.129241
  H      -5.004031     -1.250604      3.758554
  H      -3.365353     -1.434327      4.398264
  H      -3.764495     -0.034054      3.371067
  H      -6.747150     -6.984508      6.149536
  H      -7.214925     -6.128650      7.737071
  H     -10.068067     -4.618892      6.575558
  H      -8.873427     -3.371197      6.239030
  H      -8.766687     -4.319077      7.754058
  H      -8.330731     -6.585024      4.203696
  H      -9.320300     -5.126093      4.197935
  H      -7.805965     -5.974231      1.800395
  H      -7.035096     -4.399400      1.459617
  H      -8.729543     -4.477951      1.996351
  H      -8.328943     -2.906202      3.722474
  H      -7.028559     -3.038959      4.926729
  H      -6.627683     -2.734437      3.232699
  H      -4.136580     -5.455123      9.166203
  H      -2.632699     -4.360395      9.045742
  H      -3.803981     -6.950780      6.035894
  H      -2.921955     -8.020100      7.129197
  H      -4.454111     -7.281963      7.673262
  H      -0.754065     -5.192697      7.677057
  H      -0.987938     -6.590349      6.624198
  H       0.437746     -5.538832      4.962132
  H       0.611265     -4.084001      5.951911
  H       0.023629     -3.941014      4.280797
  H      -2.787974     -3.189257      6.684441
  H      -1.048960     -2.926500      6.901855
  H      -1.823688     -2.554811      5.345005
  N      -4.662823     -3.360345      5.395310
  N      -5.236769     -3.889131      6.621421
  H      -5.957070     -4.641418      6.439265
  H      -4.496344     -4.311737      7.241495
  H      -5.692322     -3.131990      7.152043
88
Coordinates from ORCA-job orca E -5477.185614224492
  N      -3.818022     -3.329176      2.397738
  C      -3.735244     -4.064614      1.118646
  C      -3.059187     -5.412976      1.291226
  N      -3.683507     -6.129284      2.422006
  C      -4.954959     -6.794712      2.080644
  C      -5.825192     -6.750274      3.328054
  N      -5.921379     -5.362222      3.789946
  Mo     -4.137564     -4.427842      3.994293
  N      -2.385526     -5.201602      4.657959
  C      -1.762037     -6.300173      3.910557
  C      -2.776254     -7.068591      3.102328
  H      -1.260473     -7.011951      4.589684
  H      -0.971299     -5.913615      3.242601
  H      -3.387156     -7.690860      3.770865
  H      -2.279960     -7.739993      2.378412
  H      -6.809495     -7.186597      3.108732
  H      -5.388018     -7.387014      4.116673
  H      -5.441799     -6.231184      1.275156
  H      -4.772130     -7.824207      1.723819
  H      -3.160906     -3.496304      0.373498
  H      -4.747828     -4.196525      0.695849
  H      -1.999187     -5.255727      1.532940
  H      -3.115013     -6.008978      0.362606
  C      -1.509303      0.462015      0.872774
  C      -1.493125     -0.280522      1.989772
  C      -0.897811      0.235189      3.271602
  C      -2.025736     -1.695784      2.008534
  C      -3.561524     -1.861749      2.262381
  C      -4.395733     -1.285837      1.105174
  C      -3.968479     -1.109543      3.525732
  C      -7.401418     -6.256102      6.632339
  C      -8.224077     -5.435495      5.948709
  C      -9.071363     -4.415389      6.654529
  C      -8.353867     -5.524641      4.451833
  C      -7.274220     -4.765460      3.597970
  C      -7.705153     -4.881077      2.119149
  C      -7.304811     -3.272561      3.933718
  C      -3.175009     -5.110013      8.623441
  C      -2.721077     -5.885664      7.617545
  C      -3.496643     -7.081563      7.144696
  C      -1.404538     -5.615967      6.941145
  C      -1.428664     -4.673696      5.685583
  C       0.011112     -4.628679      5.123895
  C      -1.723758     -3.241784      6.134468
  H      -1.124474      1.483478      0.863773
  H      -1.900093      0.071562     -0.069137
  H      -1.609825      0.170819      4.108352
  H      -0.567984      1.277502      3.173995
  H      -0.026588     -0.377156      3.559107
  H      -1.518079     -2.268202      2.801812
  H      -1.778990     -2.181376      1.052368
  H      -4.238162     -0.201242      1.045862
  H      -5.464408     -1.471174      1.288240
  H      -4.131891     -1.711095      0.128154
  H      -5.033423     -1.258649      3.741955
  H      -3.403823     -1.432334      4.406808
  H      -3.793812     -0.037158      3.369607
  H      -6.830049     -7.039804      6.132511
  H      -7.340734     -6.216253      7.723217
  H     -10.138390     -4.649150      6.509494
  H      -8.921756     -3.407058      6.239740
  H      -8.871273     -4.391326      7.733968
  H      -8.346329     -6.581186      4.148697
  H      -9.331431     -5.119873      4.149597
  H      -7.774722     -5.920628      1.772318
  H      -6.991807     -4.342085      1.479695
  H      -8.696063     -4.424855      1.984407
  H      -8.316764     -2.887997      3.744665
  H      -7.042929     -3.054515      4.972604
  H      -6.604199     -2.719701      3.293991
  H      -4.097858     -5.354394      9.156121
  H      -2.593779     -4.265637      8.998850
  H      -3.731743     -6.984407      6.072717
  H      -2.888926     -7.994622      7.246184
  H      -4.428828     -7.218700      7.707923
  H      -0.710137     -5.156340      7.659824
  H      -0.958631     -6.578007      6.642457
  H       0.423705     -5.621830      4.910211
  H       0.668699     -4.152042      5.862699
  H       0.043652     -4.027190      4.203750
  H      -2.674926     -3.128290      6.655173
  H      -0.924413     -2.916596      6.814840
  H      -1.733058     -2.563062      5.271877
  N      -4.653514     -3.358382      5.405235
  N      -5.252523     -3.879397      6.623715
  H      -5.983812     -4.617472      6.429268
  H      -4.528523     -4.319250      7.251631
  H      -5.700356     -3.115035      7.150437
88
Coordinates from ORCA-job orca E -5477.185905415402
  N      -3.828859     -3.324963      2.397359
  C      -3.747879     -4.058699      1.117087
  C      -3.062740     -5.403028      1.285019
  N      -3.677909     -6.126127      2.416439
  C      -4.945521     -6.801389      2.079026
  C      -5.814894     -6.760136      3.327356
  N      -5.920742     -5.371305      3.784210
  Mo     -4.141959     -4.429166      3.991724
  N      -2.386054     -5.194107      4.655044
  C      -1.753378     -6.284838      3.903614
  C      -2.761996     -7.058832      3.093646
  H      -1.247017     -6.995203      4.580625
  H      -0.965628     -5.890144      3.237079
  H      -3.367421     -7.687549      3.761176
  H      -2.260641     -7.724840      2.368150
  H      -6.796180     -7.204370      3.110309
  H      -5.372298     -7.391201      4.117530
  H      -5.437343     -6.243689      1.272577
  H      -4.755990     -7.830526      1.724774
  H      -3.180375     -3.486419      0.369772
  H      -4.761454     -4.196563      0.698789
  H      -2.003036     -5.238987      1.523204
  H      -3.117748     -5.997088      0.355098
  C      -1.523691      0.466973      0.867144
  C      -1.496687     -0.283493      1.978642
  C      -0.881774      0.219989      3.256112
  C      -2.035350     -1.696542      1.994256
  C      -3.568808     -1.857781      2.264925
  C      -4.413301     -1.274297      1.118899
  C      -3.959239     -1.109148      3.535660
  C      -7.366033     -6.172537      6.657456
  C      -8.205463     -5.384775      5.955553
  C      -9.056191     -4.350139      6.635805
  C      -8.345618     -5.522673      4.463203
  C      -7.275990     -4.782383      3.582268
  C      -7.714467     -4.937288      2.109207
  C      -7.310193     -3.281313      3.880068
  C      -3.149983     -5.188298      8.666625
  C      -2.721586     -5.925607      7.621570
  C      -3.516983     -7.095245      7.117974
  C      -1.412750     -5.641866      6.935589
  C      -1.444917     -4.672352      5.700672
  C      -0.001309     -4.590738      5.152214
  C      -1.769335     -3.255074      6.175234
  H      -1.134077      1.486675      0.860189
  H      -1.928325      0.084817     -0.072304
  H      -1.582461      0.152220      4.102154
  H      -0.548808      1.261767      3.162016
  H      -0.009313     -0.398454      3.526826
  H      -1.520871     -2.276676      2.777505
  H      -1.802071     -2.176596      1.031924
  H      -4.252017     -0.190109      1.062054
  H      -5.480536     -1.455848      1.313028
  H      -4.161922     -1.696627      0.137367
  H      -5.022109     -1.255282      3.763212
  H      -3.385597     -1.437437      4.409144
  H      -3.782302     -0.036877      3.381393
  H      -6.788433     -6.964265      6.177694
  H      -7.293896     -6.094649      7.745568
  H     -10.121981     -4.599630      6.509883
  H      -8.921645     -3.354485      6.186571
  H      -8.845128     -4.288525      7.711602
  H      -8.330528     -6.588109      4.192797
  H      -9.328472     -5.135405      4.154988
  H      -7.781533     -5.985633      1.788925
  H      -7.006949     -4.411768      1.452175
  H      -8.708113     -4.488647      1.968763
  H      -8.323994     -2.904476      3.685756
  H      -7.044464     -3.035765      4.911620
  H      -6.614052     -2.743493      3.222904
  H      -4.063899     -5.448396      9.207783
  H      -2.553758     -4.366103      9.066848
  H      -3.767598     -6.956613      6.054116
  H      -2.918634     -8.018305      7.178591
  H      -4.442208     -7.242338      7.690009
  H      -0.710950     -5.200365      7.658274
  H      -0.970743     -6.597113      6.610349
  H       0.431175     -5.571498      4.921710
  H       0.640986     -4.117910      5.906837
  H       0.028215     -3.969312      4.245299
  H      -2.731864     -3.166657      6.681268
  H      -0.985992     -2.931818      6.875033
  H      -1.775093     -2.559037      5.326153
  N      -4.665200     -3.363100      5.401933
  N      -5.232969     -3.889556      6.633166
  H      -5.938181     -4.655869      6.455447
  H      -4.485277     -4.293253      7.257884
  H      -5.701985     -3.134575      7.154796
88
Coordinates from ORCA-job orca E -5477.185432113199
  N      -3.806175     -3.321974      2.370324
  C      -3.711703     -4.060282      1.093580
  C      -3.041350     -5.411168      1.279326
  N      -3.675299     -6.119419      2.409917
  C      -4.943662     -6.787479      2.062230
  C      -5.819952     -6.740379      3.306331
  N      -5.918973     -5.350831      3.765137
  Mo     -4.138350     -4.411148      3.968807
  N      -2.397640     -5.182544      4.654647
  C      -1.765066     -6.284509      3.918614
  C      -2.771886     -7.055504      3.101818
  H      -1.274040     -6.995945      4.606256
  H      -0.965239     -5.902769      3.260115
  H      -3.388331     -7.676658      3.766076
  H      -2.269649     -7.728892      2.383835
  H      -6.803137     -7.178026      3.084732
  H      -5.383895     -7.373722      4.098014
  H      -5.428535     -6.226446      1.253856
  H      -4.757613     -7.817312      1.708056
  H      -3.124395     -3.496135      0.355285
  H      -4.719806     -4.186650      0.657783
  H      -1.983116     -5.255867      1.529621
  H      -3.090235     -6.013761      0.354805
  C      -1.484756      0.443879      0.803818
  C      -1.465526     -0.289133      1.926873
  C      -0.855668      0.234126      3.198712
  C      -2.008079     -1.700573      1.961556
  C      -3.542580     -1.855244      2.233603
  C      -4.386430     -1.269904      1.087706
  C      -3.927714     -1.100576      3.502993
  C      -7.266256     -6.272661      6.617940
  C      -8.130004     -5.454362      5.985846
  C      -8.959375     -4.456617      6.744135
  C      -8.326234     -5.526116      4.495779
  C      -7.278638     -4.760941      3.607665
  C      -7.754822     -4.876797      2.142178
  C      -7.308282     -3.270153      3.948285
  C      -3.271513     -5.174963      8.631761
  C      -2.805224     -5.919710      7.608137
  C      -3.578411     -7.094056      7.083576
  C      -1.478383     -5.631452      6.956988
  C      -1.483279     -4.659962      5.722789
  C      -0.023941     -4.554926      5.218035
  C      -1.851473     -3.252955      6.199266
  H      -1.092876      1.462826      0.783389
  H      -1.885261      0.048506     -0.131605
  H      -1.562294      0.184743      4.040438
  H      -0.517049      1.272585      3.087819
  H       0.012523     -0.382352      3.486744
  H      -1.495430     -2.271217      2.752834
  H      -1.775720     -2.194753      1.006322
  H      -4.223314     -0.187020      1.030638
  H      -5.453458     -1.449956      1.281925
  H      -4.136804     -1.692603      0.106720
  H      -4.990720     -1.243222      3.733435
  H      -3.353662     -1.427034      4.376999
  H      -3.749689     -0.028787      3.345657
  H      -6.714001     -7.045204      6.079253
  H      -7.155631     -6.249312      7.705736
  H     -10.029404     -4.703561      6.642566
  H      -8.841885     -3.440229      6.337260
  H      -8.712859     -4.443862      7.814948
  H      -8.335927     -6.579139      4.181805
  H      -9.313536     -5.113907      4.238443
  H      -7.830380     -5.916233      1.798569
  H      -7.063811     -4.334583      1.482341
  H      -8.751021     -4.425440      2.036701
  H      -8.331845     -2.896936      3.800362
  H      -7.008305     -3.052767      4.978373
  H      -6.640024     -2.706393      3.284473
  H      -4.204234     -5.433090      9.142395
  H      -2.692596     -4.344959      9.041419
  H      -3.824331     -6.936764      6.020687
  H      -2.964608     -8.007386      7.133365
  H      -4.505611     -7.263931      7.646845
  H      -0.797630     -5.185287      7.697421
  H      -1.022414     -6.584645      6.644303
  H       0.431149     -5.528987      4.999646
  H       0.589060     -4.074219      5.991766
  H       0.024097     -3.930869      4.312587
  H      -2.823953     -3.198994      6.695077
  H      -1.089701     -2.916033      6.914247
  H      -1.865281     -2.548182      5.356589
  N      -4.657903     -3.342030      5.380411
  N      -5.222361     -3.872998      6.607276
  H      -5.942503     -4.627935      6.429573
  H      -4.477235     -4.297084      7.222872
  H      -5.677229     -3.119091      7.142503
88
Coordinates from ORCA-job orca E -5477.186019937201
  N      -3.817289     -3.324325      2.387599
  C      -3.732420     -4.060411      1.108968
  C      -3.053220     -5.407230      1.283849
  N      -3.675422     -6.123671      2.415706
  C      -4.944182     -6.795043      2.075522
  C      -5.814687     -6.751168      3.323234
  N      -5.916923     -5.362059      3.780992
  Mo     -4.136644     -4.421465      3.984718
  N      -2.386035     -5.190584      4.655016
  C      -1.755407     -6.286456      3.909099
  C      -2.764679     -7.058520      3.097686
  H      -1.254985     -6.997589      4.589858
  H      -0.963071     -5.897567      3.244856
  H      -3.374197     -7.683982      3.764417
  H      -2.264160     -7.727634      2.374501
  H      -6.797281     -7.192177      3.105428
  H      -5.374105     -7.383505      4.113414
  H      -5.433799     -6.235530      1.268928
  H      -4.757175     -7.824529      1.720931
  H      -3.158021     -3.491697      0.364166
  H      -4.744393     -4.193935      0.685138
  H      -1.993790     -5.246956      1.525849
  H      -3.106918     -6.004992      0.356305
  C      -1.512684      0.462291      0.844522
  C      -1.490065     -0.279192      1.962048
  C      -0.883899      0.236693      3.238715
  C      -2.025196     -1.693507      1.985862
  C      -3.559445     -1.856879      2.251983
  C      -4.401737     -1.277438      1.102227
  C      -3.954457     -1.105044      3.519574
  C      -7.332884     -6.207790      6.651510
  C      -8.180396     -5.410389      5.971123
  C      -9.027961     -4.390154      6.676762
  C      -8.336279     -5.524626      4.478476
  C      -7.274330     -4.773656      3.596039
  C      -7.725355     -4.915446      2.125329
  C      -7.309405     -3.276007      3.908582
  C      -3.201175     -5.181570      8.644227
  C      -2.755089     -5.924804      7.610758
  C      -3.543537     -7.093824      7.095254
  C      -1.436055     -5.643576      6.942975
  C      -1.451676     -4.672901      5.708483
  C      -0.002011     -4.593332      5.175128
  C      -1.780526     -3.256553      6.183593
  H      -1.125970      1.483118      0.831859
  H      -1.910933      0.071768     -0.094140
  H      -1.589780      0.174866      4.080648
  H      -0.552426      1.278256      3.137463
  H      -0.011809     -0.377128      3.520472
  H      -1.512262     -2.266494      2.775361
  H      -1.787000     -2.180087      1.028096
  H      -4.242917     -0.193223      1.043880
  H      -5.469046     -1.461486      1.293217
  H      -4.146421     -1.701004      0.122420
  H      -5.017725     -1.252723      3.744840
  H      -3.382756     -1.429369      4.395724
  H      -3.779809     -0.032716      3.362946
  H      -6.760041     -6.991572      6.152899
  H      -7.251157     -6.149025      7.740269
  H     -10.094494     -4.640367      6.555648
  H      -8.899872     -3.386584      6.243113
  H      -8.808151     -4.345860      7.751950
  H      -8.328018     -6.585787      4.191950
  H      -9.320875     -5.129524      4.186309
  H      -7.793963     -5.960900      1.796951
  H      -7.023978     -4.383324      1.467412
  H      -8.720475     -4.466909      1.996782
  H      -8.327350     -2.901889      3.730129
  H      -7.032361     -3.039588      4.939728
  H      -6.623622     -2.728026      3.249030
  H      -4.126651     -5.436290      9.168287
  H      -2.611139     -4.357640      9.049966
  H      -3.776823     -6.952945      6.027641
  H      -2.946073     -8.016768      7.165041
  H      -4.478109     -7.240586      7.652159
  H      -0.742457     -5.203255      7.674505
  H      -0.991753     -6.599660      6.623107
  H       0.431441     -5.574968      4.949101
  H       0.633620     -4.121793      5.936159
  H       0.038136     -3.971778      4.268340
  H      -2.744177     -3.173081      6.688948
  H      -1.000352     -2.933390      6.886425
  H      -1.786538     -2.557972      5.336473
  N      -4.656650     -3.351856      5.394266
  N      -5.232583     -3.876543      6.621165
  H      -5.950023     -4.631588      6.439606
  H      -4.492466     -4.296040      7.245186
  H      -5.691526     -3.118396      7.147252
88
Coordinates from ORCA-job orca E -5477.186018184402
  N      -3.825231     -3.322900      2.393012
  C      -3.743075     -4.056205      1.112679
  C      -3.060964     -5.402056      1.282158
  N      -3.678962     -6.123436      2.413130
  C      -4.946944     -6.796822      2.074209
  C      -5.816616     -6.755663      3.322398
  N      -5.920772     -5.367138      3.781267
  Mo     -4.141868     -4.425101      3.987571
  N      -2.389001     -5.192403      4.653947
  C      -1.756107     -6.283965      3.903521
  C      -2.764262     -7.057028      3.091506
  H      -1.251835     -6.995093      4.581287
  H      -0.966605     -5.890253      3.238631
  H      -3.370853     -7.685920      3.757796
  H      -2.262643     -7.723014      2.366194
  H      -6.798342     -7.198561      3.104847
  H      -5.374790     -7.387785      4.112061
  H      -5.438183     -6.237481      1.268498
  H      -4.758640     -7.825695      1.718493
  H      -3.172311     -3.484794      0.367125
  H      -4.756084     -4.191237      0.691794
  H      -2.001429     -5.239896      1.522479
  H      -3.115130     -5.996900      0.352732
  C      -1.509418      0.457065      0.851938
  C      -1.483161     -0.290589      1.965330
  C      -0.864034      0.214261      3.240202
  C      -2.027042     -1.701611      1.985604
  C      -3.560326     -1.856589      2.261280
  C      -4.406242     -1.268096      1.118821
  C      -3.942937     -1.107444      3.534192
  C      -7.351499     -6.214357      6.645122
  C      -8.194625     -5.416006      5.960011
  C      -9.041751     -4.391943      6.660367
  C      -8.343120     -5.530575      4.466628
  C      -7.277358     -4.778277      3.591004
  C      -7.721404     -4.915054      2.117635
  C      -7.312465     -3.281568      3.908406
  C      -3.182304     -5.162225      8.651290
  C      -2.741346     -5.911182      7.619769
  C      -3.527157     -7.089474      7.121524
  C      -1.427168     -5.630889      6.942426
  C      -1.452390     -4.668014      5.701965
  C      -0.005467     -4.583714      5.162417
  C      -1.786122     -3.250412      6.169578
  H      -1.116150      1.475399      0.841721
  H      -1.917104      0.074079     -0.085791
  H      -1.563547      0.151642      4.087542
  H      -0.527242      1.254529      3.142326
  H       0.006666     -0.406489      3.511358
  H      -1.512288     -2.282124      2.768422
  H      -1.798816     -2.184702      1.023540
  H      -4.241204     -0.184628      1.062999
  H      -5.473469     -1.446074      1.315849
  H      -4.159519     -1.689916      0.136040
  H      -5.005505     -1.249986      3.765609
  H      -3.367289     -1.438728      4.405314
  H      -3.762909     -0.035560      3.380593
  H      -6.777171     -6.999271      6.150323
  H      -7.274126     -6.153933      7.734022
  H     -10.108444     -4.638591      6.535174
  H      -8.908285     -3.389539      6.225677
  H      -8.826065     -4.346790      7.736185
  H      -8.331963     -6.591761      4.180211
  H      -9.326635     -5.136412      4.169445
  H      -7.788778     -5.959314      1.784943
  H      -7.016778     -4.380808      1.464708
  H      -8.715819     -4.465653      1.986024
  H      -8.328431     -2.905070      3.724828
  H      -7.041808     -3.048784      4.941951
  H      -6.621595     -2.732930      3.254799
  H      -4.102065     -5.417542      9.184890
  H      -2.592388     -4.333342      9.046925
  H      -3.753747     -6.969777      6.050266
  H      -2.930729     -8.011214      7.213888
  H      -4.464966     -7.225277      7.675755
  H      -0.731441     -5.183444      7.667442
  H      -0.981098     -6.587579      6.626825
  H       0.432105     -5.563814      4.938804
  H       0.630575     -4.105507      5.918930
  H       0.027855     -3.965843      4.253067
  H      -2.751112     -3.166866      6.672714
  H      -1.007530     -2.920043      6.871020
  H      -1.793651     -2.557137      5.317926
  N      -4.662762     -3.358973      5.399093
  N      -5.238135     -3.884749      6.626566
  H      -5.953168     -4.641663      6.445399
  H      -4.496759     -4.301529      7.250387
  H      -5.699030     -3.127097      7.151378
88
Coordinates from ORCA-job orca E -5477.186033269716
  N      -3.820388     -3.325030      2.389805
  C      -3.738207     -4.059847      1.110282
  C      -3.057077     -5.406007      1.281741
  N      -3.676468     -6.125168      2.413378
  C      -4.945301     -6.797213      2.074775
  C      -5.814797     -6.754056      3.323153
  N      -5.917449     -5.365045      3.781208
  Mo     -4.137549     -4.424731      3.985794
  N      -2.385949     -5.194092      4.653373
  C      -1.754360     -6.287333      3.904384
  C      -2.763313     -7.059562      3.092665
  H      -1.251782     -6.998766      4.583159
  H      -0.963653     -5.895558      3.239813
  H      -3.371012     -7.687229      3.759084
  H      -2.262437     -7.726698      2.367892
  H      -6.797116     -7.195993      3.106252
  H      -5.373230     -7.386050      4.113066
  H      -5.435983     -6.237911      1.268691
  H      -4.758222     -7.826571      1.719827
  H      -3.167029     -3.489648      0.364150
  H      -4.751249     -4.194717      0.689416
  H      -1.997491     -5.244588      1.522356
  H      -3.111463     -6.002140      0.353169
  C      -1.515188      0.462798      0.851147
  C      -1.491500     -0.281185      1.967029
  C      -0.883165      0.231284      3.244050
  C      -2.027602     -1.695151      1.988511
  C      -3.561717     -1.857718      2.255488
  C      -4.404181     -1.276866      1.106582
  C      -3.955832     -1.106762      3.523821
  C      -7.340561     -6.206703      6.648148
  C      -8.186042     -5.409333      5.965017
  C      -9.032922     -4.386373      6.667438
  C      -8.338389     -5.524833      4.472170
  C      -7.273647     -4.774819      3.593136
  C      -7.721277     -4.912892      2.120968
  C      -7.305935     -3.277709      3.908911
  C      -3.189669     -5.171056      8.648462
  C      -2.749021     -5.918506      7.615705
  C      -3.538633     -7.091390      7.110860
  C      -1.432129     -5.641399      6.942292
  C      -1.450678     -4.674531      5.704901
  C      -0.001966     -4.594310      5.169402
  C      -1.780840     -3.257192      6.175938
  H      -1.127715      1.483336      0.840144
  H      -1.915005      0.074600     -0.087832
  H      -1.587484      0.167130      4.087183
  H      -0.551934      1.273142      3.145006
  H      -0.010536     -0.383356      3.522513
  H      -1.514437     -2.270146      2.776413
  H      -1.790708     -2.179994      1.029494
  H      -4.244592     -0.192701      1.048743
  H      -5.471549     -1.460110      1.298017
  H      -4.149627     -1.700051      0.126393
  H      -5.019060     -1.254240      3.749307
  H      -3.383861     -1.432218      4.399424
  H      -3.780606     -0.034405      3.367998
  H      -6.766814     -6.991337      6.151969
  H      -7.261107     -6.146451      7.736941
  H     -10.099660     -4.634487      6.544786
  H      -8.901857     -3.383803      6.232435
  H      -8.814828     -4.340852      7.742812
  H      -8.329348     -6.586233      4.186577
  H      -9.322116     -5.129663      4.177114
  H      -7.790727     -5.957498      1.789965
  H      -7.017424     -4.380460      1.465828
  H      -8.715386     -4.462442      1.990939
  H      -8.322033     -2.900197      3.727671
  H      -7.032100     -3.044294      4.941604
  H      -6.616122     -2.730409      3.252989
  H      -4.112288     -5.423864      9.178333
  H      -2.597248     -4.345957      9.048406
  H      -3.758073     -6.968490      6.038365
  H      -2.947808     -8.016544      7.205309
  H      -4.480526     -7.222926      7.659157
  H      -0.735981     -5.199236      7.670205
  H      -0.989465     -6.598932      6.624376
  H       0.432421     -5.575625      4.944252
  H       0.633998     -4.120675      5.928851
  H       0.036132     -3.974106      4.261721
  H      -2.746179     -3.172391      6.678152
  H      -1.002371     -2.931417      6.879548
  H      -1.784997     -2.561380      5.326427
  N      -4.657160     -3.356251      5.396132
  N      -5.231833     -3.880128      6.624501
  H      -5.947043     -4.637501      6.444898
  H      -4.490165     -4.295898      7.248896
  H      -5.692657     -3.121785      7.148558
88
Coordinates from ORCA-job orca E -5477.186034219440
  N      -3.819805     -3.323270      2.390319
  C      -3.736303     -4.058233      1.110954
  C      -3.056116     -5.404768      1.283782
  N      -3.676326     -6.122711      2.415773
  C      -4.944906     -6.794892      2.076799
  C      -5.814095     -6.751925      3.325403
  N      -5.917183     -5.362876      3.783093
  Mo     -4.137431     -4.421854      3.986868
  N      -2.386161     -5.191070      4.655394
  C      -1.754791     -6.285091      3.907351
  C      -2.763754     -7.057338      3.095656
  H      -1.252835     -6.996475      4.586728
  H      -0.963529     -5.894196      3.242994
  H      -3.371857     -7.684783      3.761902
  H      -2.262927     -7.724711      2.371069
  H      -6.796466     -7.193899      3.108553
  H      -5.372081     -7.383669      4.115267
  H      -5.435846     -6.235598      1.270853
  H      -4.757610     -7.824177      1.721776
  H      -3.163180     -3.488541      0.365897
  H      -4.748779     -4.192004      0.688369
  H      -1.996543     -5.243935      1.524783
  H      -3.110400     -6.001747      0.355766
  C      -1.514090      0.459316      0.841204
  C      -1.488796     -0.282213      1.958653
  C      -0.876929      0.232527      3.233056
  C      -2.026508     -1.695520      1.984444
  C      -3.560115     -1.855998      2.255643
  C      -4.405170     -1.273682      1.109304
  C      -3.949443     -1.104464      3.525166
  C      -7.338638     -6.208692      6.648634
  C      -8.185852     -5.412367      5.966550
  C      -9.036213     -4.393380      6.670544
  C      -8.338103     -5.526263      4.473581
  C      -7.274007     -4.774446      3.594865
  C      -7.720742     -4.914425      2.122673
  C      -7.309745     -3.277305      3.909647
  C      -3.195519     -5.178507      8.646985
  C      -2.752078     -5.922337      7.612780
  C      -3.540582     -7.092781      7.100680
  C      -1.433986     -5.642575      6.942803
  C      -1.451472     -4.672630      5.707904
  C      -0.002332     -4.591740      5.173522
  C      -1.781803     -3.256410      6.182472
  H      -1.125462      1.479404      0.827125
  H      -1.916475      0.069567     -0.096007
  H      -1.579611      0.171450      4.077751
  H      -0.544389      1.273685      3.130733
  H      -0.004554     -0.382595      3.511241
  H      -1.512011     -2.269433      2.772254
  H      -1.792618     -2.182724      1.025882
  H      -4.244924     -0.189659      1.051934
  H      -5.472125     -1.456375      1.303456
  H      -4.153696     -1.696194      0.128100
  H      -5.012270     -1.250144      3.753652
  H      -3.375616     -1.430701      4.399263
  H      -3.773141     -0.032348      3.368885
  H      -6.763263     -6.991444      6.151343
  H      -7.260100     -6.150448      7.737651
  H     -10.102215     -4.644426      6.546623
  H      -8.907891     -3.389533      6.237605
  H      -8.819069     -4.349338      7.746259
  H      -8.328305     -6.587321      4.186794
  H      -9.322125     -5.131576      4.178924
  H      -7.788174     -5.959528      1.792859
  H      -7.017352     -4.381453      1.467559
  H      -8.715520     -4.465836      1.991597
  H      -8.326941     -2.902567      3.728308
  H      -7.036329     -3.042866      4.942212
  H      -6.621496     -2.728348      3.253552
  H      -4.120039     -5.432617      9.173041
  H      -2.603873     -4.355116      9.051434
  H      -3.755853     -6.965359      6.027764
  H      -2.950281     -8.018416      7.193771
  H      -4.484723     -7.226009      7.644688
  H      -0.739027     -5.201951      7.672851
  H      -0.990400     -6.599033      6.622858
  H       0.431761     -5.572869      4.946619
  H       0.633498     -4.120044      5.934280
  H       0.036583     -3.969690      4.267045
  H      -2.745074     -3.174288      6.688906
  H      -1.001372     -2.931367      6.884172
  H      -1.790089     -2.558605      5.334690
  N      -4.656725     -3.353335      5.397436
  N      -5.232896     -3.877884      6.624382
  H      -5.949801     -4.633563      6.443386
  H      -4.492711     -4.296593      7.248916
  H      -5.692562     -3.119704      7.149682
88
Coordinates from ORCA-job orca E -5477.186036839798
  N      -3.819923     -3.324145      2.389983
  C      -3.737028     -4.058809      1.110410
  C      -3.056752     -5.405334      1.282582
  N      -3.676644     -6.123719      2.414483
  C      -4.945372     -6.795775      2.075773
  C      -5.814476     -6.752796      3.324457
  N      -5.917364     -5.363767      3.782335
  Mo     -4.137538     -4.423126      3.986273
  N      -2.386338     -5.192708      4.654498
  C      -1.754874     -6.286285      3.905841
  C      -2.763786     -7.058381      3.093935
  H      -1.252667     -6.997834      4.584820
  H      -0.963822     -5.894910      3.241501
  H      -3.371678     -7.686205      3.760021
  H      -2.262897     -7.725407      2.369073
  H      -6.796852     -7.194768      3.107742
  H      -5.372435     -7.384560      4.114271
  H      -5.436359     -6.236412      1.269924
  H      -4.758267     -7.825063      1.720646
  H      -3.164465     -3.488902      0.365102
  H      -4.749720     -4.192677      0.688393
  H      -1.997137     -5.244467      1.523394
  H      -3.111215     -6.001975      0.354356
  C      -1.514363      0.460451      0.845278
  C      -1.489773     -0.281911      1.962207
  C      -0.879425      0.232143      3.237622
  C      -2.026781     -1.695499      1.986429
  C      -3.560632     -1.856839      2.255724
  C      -4.404674     -1.274858      1.108479
  C      -3.951822     -1.105826      3.524960
  C      -7.339384     -6.207747      6.648058
  C      -8.186160     -5.411204      5.965601
  C      -9.035149     -4.390697      6.668997
  C      -8.338499     -5.525583      4.472665
  C      -7.273895     -4.774509      3.594093
  C      -7.720795     -4.913275      2.121808
  C      -7.308411     -3.277519      3.909864
  C      -3.192728     -5.175206      8.647953
  C      -2.750460     -5.920556      7.614369
  C      -3.538554     -7.093037      7.106258
  C      -1.433065     -5.641718      6.942655
  C      -1.451375     -4.673427      5.706383
  C      -0.002450     -4.592438      5.171516
  C      -1.781967     -3.256696      6.179116
  H      -1.126223      1.480730      0.832338
  H      -1.915642      0.071206     -0.092630
  H      -1.582760      0.169734      4.081700
  H      -0.547616      1.273645      3.136529
  H      -0.006809     -0.382576      3.515964
  H      -1.512927     -2.269665      2.774494
  H      -1.791499     -2.181932      1.027822
  H      -4.244851     -0.190741      1.051266
  H      -5.471768     -1.458024      1.301452
  H      -4.151895     -1.697291      0.127542
  H      -5.014832     -1.252169      3.752194
  H      -3.378808     -1.431992      4.399648
  H      -3.775911     -0.033587      3.369129
  H      -6.764554     -6.991181      6.151245
  H      -7.260460     -6.148675      7.736981
  H     -10.101439     -4.640494      6.545479
  H      -8.905665     -3.387340      6.235251
  H      -8.817679     -4.346106      7.744575
  H      -8.329314     -6.586742      4.186202
  H      -9.322247     -5.130336      4.177842
  H      -7.788945     -5.958123      1.791299
  H      -7.017082     -4.380335      1.466976
  H      -8.715292     -4.463925      1.991063
  H      -8.325189     -2.901752      3.728625
  H      -7.035061     -3.044005      4.942650
  H      -6.619564     -2.728740      3.254267
  H      -4.116320     -5.428924      9.175767
  H      -2.600944     -4.350791      9.050131
  H      -3.751301     -6.971062      6.032314
  H      -2.949049     -8.018539      7.205808
  H      -4.483977     -7.222948      7.648818
  H      -0.737575     -5.200010      7.671511
  H      -0.989568     -6.598592      6.623860
  H       0.432056     -5.573517      4.945452
  H       0.633323     -4.119665      5.931652
  H       0.035939     -3.971249      4.264466
  H      -2.745687     -3.173934      6.684694
  H      -1.001958     -2.930682      6.880901
  H      -1.789676     -2.560048      5.330350
  N      -4.656719     -3.354586      5.396826
  N      -5.232683     -3.878608      6.624152
  H      -5.949427     -4.634534      6.443773
  H      -4.492281     -4.296619      7.248734
  H      -5.692452     -3.120149      7.148973
88
Coordinates from ORCA-job orca E -5477.186037524727
  N      -3.819821     -3.324205      2.390042
  C      -3.736903     -4.058648      1.110352
  C      -3.056799     -5.405250      1.282409
  N      -3.676688     -6.123649      2.414309
  C      -4.945437     -6.795691      2.075640
  C      -5.814451     -6.752844      3.324415
  N      -5.917339     -5.363842      3.782381
  Mo     -4.137560     -4.423215      3.986279
  N      -2.386510     -5.193002      4.654564
  C      -1.754943     -6.286387      3.905721
  C      -2.763751     -7.058381      3.093596
  H      -1.252744     -6.998044      4.584591
  H      -0.963856     -5.894836      3.241518
  H      -3.371585     -7.686488      3.759456
  H      -2.262757     -7.725151      2.368574
  H      -6.796826     -7.194837      3.107774
  H      -5.372272     -7.384572      4.114167
  H      -5.436531     -6.236251      1.269914
  H      -4.758373     -7.824938      1.720367
  H      -3.164154     -3.488669      0.365232
  H      -4.749556     -4.192272      0.688182
  H      -1.997157     -5.244504      1.523194
  H      -3.111351     -6.001860      0.354172
  C      -1.514666      0.460195      0.844846
  C      -1.489976     -0.281760      1.962046
  C      -0.879651      0.232840      3.237255
  C      -2.026786     -1.695410      1.986774
  C      -3.560662     -1.856858      2.255841
  C      -4.404612     -1.275090      1.108433
  C      -3.952035     -1.105716      3.524936
  C      -7.339210     -6.207222      6.647875
  C      -8.186352     -5.411059      5.965399
  C      -9.035644     -4.390810      6.668777
  C      -8.338634     -5.525373      4.472442
  C      -7.273757     -4.774412      3.594076
  C      -7.720526     -4.912694      2.121698
  C      -7.308078     -3.277515      3.910344
  C      -3.192741     -5.175469      8.648273
  C      -2.750529     -5.920681      7.614587
  C      -3.538098     -7.093796      7.107030
  C      -1.433217     -5.641755      6.942780
  C      -1.451553     -4.673640      5.706366
  C      -0.002647     -4.592774      5.171438
  C      -1.782073     -3.256812      6.178874
  H      -1.126645      1.480514      0.831542
  H      -1.915923      0.070580     -0.092921
  H      -1.582893      0.170487      4.081418
  H      -0.548117      1.274399      3.135816
  H      -0.006841     -0.381564      3.515699
  H      -1.513011     -2.269161      2.775199
  H      -1.791242     -2.182222      1.028421
  H      -4.245011     -0.190937      1.051197
  H      -5.471692     -1.458512      1.301257
  H      -4.151596     -1.697522      0.127544
  H      -5.015061     -1.252044      3.752084
  H      -3.379126     -1.431703      4.399756
  H      -3.776192     -0.033487      3.368963
  H      -6.763996     -6.990408      6.151127
  H      -7.260330     -6.148069      7.736793
  H     -10.101859     -4.640829      6.545130
  H      -8.906354     -3.387409      6.235060
  H      -8.818272     -4.346200      7.744363
  H      -8.329732     -6.586520      4.185895
  H      -9.322227     -5.129807      4.177554
  H      -7.788754     -5.957460      1.790938
  H      -7.016635     -4.379660      1.467121
  H      -8.714952     -4.463188      1.990923
  H      -8.324807     -2.901593      3.729224
  H      -7.034782     -3.044471      4.943253
  H      -6.619162     -2.728487      3.255017
  H      -4.116264     -5.429291      9.176145
  H      -2.601033     -4.350941      9.050319
  H      -3.748331     -6.974084      6.032383
  H      -2.949205     -8.019297      7.210288
  H      -4.484851     -7.222124      7.647640
  H      -0.737711     -5.199895      7.671524
  H      -0.989593     -6.598628      6.624149
  H       0.431753     -5.573884      4.945311
  H       0.633214     -4.120094      5.931551
  H       0.035765     -3.971565      4.264405
  H      -2.745579     -3.174082      6.684900
  H      -1.001826     -2.930618      6.880327
  H      -1.790175     -2.560359      5.329973
  N      -4.656763     -3.354809      5.396946
  N      -5.232413     -3.878783      6.624354
  H      -5.949208     -4.634760      6.444285
  H      -4.491916     -4.296685      7.248870
  H      -5.692139     -3.120332      7.149249
