91
Coordinates from ORCA-job orca E -6254.091267170483
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  N      -2.191154      5.272738      3.551577
91
Coordinates from ORCA-job orca E -6254.161474914089
  N      -2.589571      4.423828      7.343343
  Mo     -2.231016      2.872021      6.158589
  N      -2.445529      1.474430      7.536978
  C      -1.370695      1.287578      8.494076
  C      -0.644661      2.608972      8.738516
  N      -0.365120      3.281090      7.454281
  C      -0.244701      4.737040      7.639929
  C      -1.631544      5.309249      7.940951
  C       0.848281      2.748718      6.811452
  C       0.552687      2.697118      5.306806
  N      -0.711440      2.015752      5.167306
  H      -1.716826      6.331724      7.528789
  H      -1.806386      5.390887      9.031177
  H       0.127104      5.164326      6.703159
  H       0.468029      4.969338      8.445137
  H       1.369428      2.194204      4.771838
  H       0.475676      3.722763      4.912255
  H       1.023061      1.725254      7.160100
  H       1.729236      3.361613      7.042057
  H      -1.746552      0.919312      9.461546
  H      -0.654828      0.529238      8.118280
  H      -1.304515      3.251681      9.328916
  H       0.285131      2.446137      9.302815
  C      -3.967456      4.754228      7.567324
  C      -4.721800      3.962378      6.548980
  C      -5.964785      4.214282      6.113555
  C      -6.617401      3.546217      5.007118
  N      -5.827282      2.982369      4.076248
  C      -6.419741      2.443730      3.003973
  N      -7.695872      2.446939      2.698749
  C      -8.535196      2.984020      3.629609
  C      -9.921765      2.978959      3.381038
  C     -10.794273      3.494894      4.313258
  C     -10.311363      4.028192      5.518916
  C      -8.959816      4.053398      5.782728
  C      -8.037254      3.551663      4.841205
  C      -0.640720      0.718892      4.505853
  C      -1.413613     -0.366981      5.190701
  C      -2.362201     -1.168879      4.660372
  C      -2.985480     -1.105148      3.351262
  N      -2.918814      0.042054      2.654725
  C      -3.622466      0.133081      1.520614
  N      -4.418448     -0.766789      0.992357
  C      -4.473208     -1.970671      1.630146
  C      -5.278734     -2.989582      1.082814
  C      -5.327096     -4.227671      1.681337
  C      -4.568542     -4.487607      2.835162
  C      -3.784360     -3.505035      3.398214
  C      -3.728967     -2.216002      2.826263
  C      -3.554998      0.548421      7.737618
  C      -4.770264      1.235477      8.289462
  C      -6.021083      1.240772      7.787768
  C      -6.522077      0.658841      6.556662
  N      -5.648409      0.250323      5.623975
  C      -6.132705     -0.180630      4.454222
  N      -7.386787     -0.366346      4.117101
  C      -8.315299     -0.004192      5.048135
  C      -9.679592     -0.176372      4.740596
  C     -10.646666      0.191668      5.647667
  C     -10.279457      0.732956      6.889994
  C      -8.953083      0.908264      7.215593
  C      -7.932600      0.545809      6.310576
  H      -4.158143      5.838305      7.441980
  H      -4.285911      4.491816      8.602224
  H      -4.137490      3.097273      6.186736
  H      -6.532969      5.006325      6.598397
  H      -5.749736      1.981734      2.277849
  H     -10.266158      2.549974      2.447002
  H     -11.861388      3.486445      4.118921
  H     -11.009526      4.423198      6.249108
  H      -8.600872      4.458725      6.723013
  H       0.411584      0.382928      4.486888
  H      -0.973710      0.800860      3.460970
  H      -1.084271     -0.588072      6.203640
  H      -2.729470     -1.976438      5.288252
  H      -3.535429      1.084985      0.992896
  H      -5.838676     -2.761720      0.183187
  H      -5.944388     -5.012272      1.257207
  H      -4.598360     -5.475453      3.284055
  H      -3.192625     -3.733099      4.277626
  H      -3.268979     -0.243093      8.452828
  H      -3.817818      0.065077      6.794722
  H      -4.602526      1.763527      9.227940
  H      -6.771791      1.768494      8.368548
  H      -5.391731     -0.423742      3.699965
  H      -9.926148     -0.596540      3.772041
  H     -11.695825      0.062727      5.405619
  H     -11.048196      1.014004      7.601281
  H      -8.698761      1.316526      8.187529
  N      -2.185199      4.307639      4.606176
  N      -2.170906      5.176253      3.670770
91
Coordinates from ORCA-job orca E -6254.199577621421
  N      -2.590071      4.436461      7.345376
  Mo     -2.224980      2.876973      6.162859
  N      -2.440806      1.474776      7.549017
  C      -1.361995      1.292538      8.507437
  C      -0.640102      2.614484      8.748023
  N      -0.360678      3.287034      7.458583
  C      -0.242725      4.747584      7.641588
  C      -1.629276      5.320926      7.941224
  C       0.856219      2.752230      6.813341
  C       0.561653      2.700142      5.309744
  N      -0.703546      2.016807      5.168127
  H      -1.711281      6.343909      7.526369
  H      -1.804862      5.406002      9.032642
  H       0.130188      5.172012      6.702517
  H       0.471974      4.980864      8.446792
  H       1.379249      2.196157      4.773742
  H       0.486075      3.727661      4.915404
  H       1.030721      1.728470      7.165228
  H       1.737683      3.367103      7.046040
  H      -1.736441      0.925322      9.477051
  H      -0.642921      0.533467      8.133589
  H      -1.300333      3.260004      9.337245
  H       0.292331      2.455540      9.312311
  C      -3.972843      4.763978      7.560928
  C      -4.723671      3.968542      6.539341
  C      -5.964220      4.216071      6.093269
  C      -6.608180      3.538983      4.982823
  N      -5.812166      2.976312      4.058683
  C      -6.402488      2.428988      2.981575
  N      -7.684516      2.422928      2.673852
  C      -8.525896      2.960038      3.604723
  C      -9.916337      2.949813      3.357194
  C     -10.791718      3.468626      4.288311
  C     -10.309266      4.011499      5.494801
  C      -8.955219      4.042131      5.757555
  C      -8.029966      3.537433      4.815304
  C      -0.639879      0.717253      4.506212
  C      -1.422086     -0.364681      5.187847
  C      -2.373853     -1.161696      4.649918
  C      -2.988642     -1.091664      3.331975
  N      -2.910575      0.054187      2.636709
  C      -3.606347      0.148332      1.490342
  N      -4.404747     -0.752304      0.952538
  C      -4.468177     -1.955322      1.595175
  C      -5.274167     -2.976044      1.043100
  C      -5.331789     -4.214556      1.644821
  C      -4.581466     -4.475495      2.808685
  C      -3.797660     -3.492148      3.376448
  C      -3.733747     -2.201466      2.800411
  C      -3.551133      0.544109      7.753417
  C      -4.765572      1.232358      8.307607
  C      -6.020692      1.237734      7.810909
  C      -6.528525      0.646719      6.582045
  N      -5.659527      0.222460      5.653060
  C      -6.150454     -0.220245      4.484410
  N      -7.412622     -0.396038      4.148892
  C      -8.335160     -0.013192      5.080482
  C      -9.705594     -0.174545      4.780211
  C     -10.666808      0.210872      5.689919
  C     -10.288602      0.760169      6.929879
  C      -8.956674      0.925226      7.248826
  C      -7.942352      0.544026      6.339966
  H      -4.164831      5.847715      7.430074
  H      -4.297267      4.504734      8.595988
  H      -4.144550      3.097221      6.178453
  H      -6.535680      5.010453      6.575101
  H      -5.727965      1.966569      2.257982
  H     -10.261029      2.513945      2.423075
  H     -11.861755      3.455434      4.093833
  H     -11.010318      4.408754      6.225303
  H      -8.596344      4.454228      6.697918
  H       0.413168      0.377373      4.489591
  H      -0.971265      0.800706      3.461069
  H      -1.100034     -0.589281      6.205206
  H      -2.749740     -1.968869      5.276923
  H      -3.509304      1.100331      0.961274
  H      -5.827621     -2.748416      0.135903
  H      -5.949915     -5.000010      1.216124
  H      -4.618019     -5.464427      3.260774
  H      -3.212717     -3.721941      4.262987
  H      -3.259000     -0.245103      8.470499
  H      -3.815283      0.057118      6.811726
  H      -4.594892      1.767358      9.244918
  H      -6.767611      1.774556      8.392725
  H      -5.408210     -0.479578      3.731370
  H      -9.961700     -0.601447      3.813925
  H     -11.721094      0.090016      5.452490
  H     -11.053744      1.055552      7.643842
  H      -8.693111      1.339876      8.218351
  N      -2.168503      4.309213      4.617867
  N      -2.164257      5.076639      3.795853
91
Coordinates from ORCA-job orca E -6254.206731604550
  N      -2.589567      4.462477      7.338002
  Mo     -2.210925      2.882294      6.178267
  N      -2.436669      1.483784      7.577089
  C      -1.353664      1.304459      8.535492
  C      -0.638506      2.627029      8.772226
  N      -0.354496      3.292650      7.475766
  C      -0.238478      4.759676      7.644416
  C      -1.624301      5.342072      7.934286
  C       0.864047      2.744734      6.831590
  C       0.575914      2.686874      5.329043
  N      -0.693855      2.008435      5.182320
  H      -1.693795      6.365387      7.513831
  H      -1.804752      5.437320      9.025843
  H       0.142036      5.170385      6.700731
  H       0.478434      4.997286      8.448634
  H       1.392469      2.174246      4.795770
  H       0.513017      3.716036      4.931550
  H       1.030129      1.722133      7.194662
  H       1.747735      3.357894      7.070672
  H      -1.727430      0.939699      9.507716
  H      -0.631033      0.542370      8.167900
  H      -1.299272      3.280005      9.355003
  H       0.296328      2.476837      9.338523
  C      -3.978818      4.795649      7.529250
  C      -4.724068      3.994687      6.503771
  C      -5.953779      4.241976      6.026557
  C      -6.574237      3.545285      4.912182
  N      -5.759044      2.960022      4.019620
  C      -6.330083      2.383398      2.943535
  N      -7.610951      2.351226      2.621035
  C      -8.469107      2.908767      3.526037
  C      -9.856723      2.897953      3.252354
  C     -10.747486      3.460034      4.144470
  C     -10.285194      4.048285      5.340151
  C      -8.935085      4.080323      5.628164
  C      -7.994374      3.535285      4.721788
  C      -0.652089      0.707528      4.517937
  C      -1.482458     -0.349977      5.181885
  C      -2.442615     -1.122911      4.621021
  C      -3.022677     -1.040069      3.284579
  N      -2.906917      0.102346      2.590381
  C      -3.558225      0.199231      1.414721
  N      -4.345444     -0.696100      0.846658
  C      -4.449000     -1.894078      1.495823
  C      -5.247558     -2.910121      0.919830
  C      -5.342885     -4.145360      1.525589
  C      -4.637430     -4.410078      2.719060
  C      -3.863041     -3.431754      3.310519
  C      -3.763929     -2.143144      2.730336
  C      -3.543021      0.544624      7.788524
  C      -4.755060      1.209446      8.376339
  C      -6.023935      1.193288      7.913042
  C      -6.552860      0.584407      6.698395
  N      -5.699416      0.143564      5.762932
  C      -6.210296     -0.326499      4.610801
  N      -7.481164     -0.481621      4.287822
  C      -8.387164     -0.070274      5.225300
  C      -9.765065     -0.231686      4.952336
  C     -10.709499      0.153108      5.881481
  C     -10.307873      0.703653      7.115775
  C      -8.968818      0.869363      7.408901
  C      -7.971721      0.484794      6.480051
  H      -4.165533      5.878783      7.381608
  H      -4.321003      4.552412      8.563898
  H      -4.158897      3.104882      6.156987
  H      -6.529896      5.047515      6.488777
  H      -5.640717      1.900608      2.245205
  H     -10.187202      2.427918      2.326374
  H     -11.816444      3.444603      3.929209
  H     -10.999959      4.477250      6.043091
  H      -8.591334      4.527380      6.561065
  H       0.394286      0.340530      4.520207
  H      -0.963852      0.802963      3.468069
  H      -1.197946     -0.577820      6.212403
  H      -2.854101     -1.919632      5.242562
  H      -3.426375      1.147304      0.882918
  H      -5.766110     -2.680868     -0.010710
  H      -5.956503     -4.927315      1.077333
  H      -4.702252     -5.398263      3.175489
  H      -3.311528     -3.666054      4.219964
  H      -3.224061     -0.244497      8.496226
  H      -3.816517      0.057133      6.848584
  H      -4.570050      1.753554      9.309009
  H      -6.762053      1.731403      8.508942
  H      -5.475012     -0.612906      3.855142
  H     -10.041238     -0.662306      3.990123
  H     -11.770982      0.032400      5.663353
  H     -11.061522      1.001715      7.845152
  H      -8.685621      1.285482      8.374891
  N      -2.114980      4.317079      4.631928
  N      -2.106702      5.084673      3.811469
91
Coordinates from ORCA-job orca E -6254.212480451469
  N      -2.606389      4.475883      7.343757
  Mo     -2.191311      2.871248      6.215581
  N      -2.410421      1.477129      7.634913
  C      -1.316856      1.314293      8.589422
  C      -0.619726      2.644388      8.808205
  N      -0.346356      3.300019      7.496857
  C      -0.250233      4.777736      7.642860
  C      -1.638568      5.358298      7.930561
  C       0.876228      2.745870      6.845195
  C       0.588042      2.674782      5.346539
  N      -0.681976      1.992505      5.199894
  H      -1.702660      6.380670      7.501433
  H      -1.815917      5.468563      9.023563
  H       0.128935      5.171390      6.689650
  H       0.473963      5.029385      8.439004
  H       1.403966      2.157655      4.811532
  H       0.530774      3.704743      4.943968
  H       1.043056      1.728598      7.226718
  H       1.756796      3.366994      7.088067
  H      -1.681798      0.955785      9.569236
  H      -0.586790      0.550666      8.231460
  H      -1.281810      3.305961      9.382673
  H       0.324160      2.519288      9.370187
  C      -4.007525      4.796378      7.505810
  C      -4.739465      3.975644      6.479543
  C      -5.958452      4.199851      5.963132
  C      -6.535573      3.457281      4.849843
  N      -5.686260      2.848231      4.008948
  C      -6.221009      2.225969      2.932725
  N      -7.496155      2.162256      2.575367
  C      -8.385437      2.743723      3.436441
  C      -9.768868      2.702843      3.129341
  C     -10.690793      3.285462      3.977424
  C     -10.267397      3.925945      5.165426
  C      -8.923752      3.987179      5.486195
  C      -7.952216      3.419867      4.623025
  C      -0.670976      0.693142      4.529209
  C      -1.563016     -0.327503      5.170942
  C      -2.540067     -1.060991      4.581166
  C      -3.076083     -0.952693      3.222870
  N      -2.897951      0.184614      2.536084
  C      -3.490771      0.296404      1.325421
  N      -4.277354     -0.579034      0.717780
  C      -4.449267     -1.769265      1.370793
  C      -5.254125     -2.766161      0.763194
  C      -5.415380     -3.996500      1.367837
  C      -4.769400     -4.279641      2.594337
  C      -3.991353     -3.321270      3.216636
  C      -3.828771     -2.035378      2.637207
  C      -3.516137      0.536700      7.857630
  C      -4.714545      1.208271      8.464275
  C      -5.994477      1.196951      8.025435
  C      -6.551229      0.559222      6.831568
  N      -5.719901      0.056229      5.908528
  C      -6.254817     -0.462009      4.782974
  N      -7.536194     -0.579721      4.469216
  C      -8.418840     -0.093254      5.395519
  C      -9.807416     -0.208663      5.137762
  C     -10.730206      0.246301      6.059177
  C     -10.298831      0.826816      7.273998
  C      -8.950378      0.953199      7.551713
  C      -7.975532      0.496733      6.627374
  H      -4.203290      5.875180      7.332872
  H      -4.366481      4.572339      8.540292
  H      -4.193663      3.064363      6.145743
  H      -6.549414      5.015787      6.393138
  H      -5.504313      1.725977      2.272580
  H     -10.070977      2.191064      2.211596
  H     -11.757046      3.245582      3.735720
  H     -11.008624      4.369948      5.836104
  H      -8.610411      4.472209      6.414214
  H       0.365350      0.291021      4.548172
  H      -0.963832      0.806244      3.475504
  H      -1.325581     -0.561595      6.214933
  H      -3.002461     -1.839168      5.194670
  H      -3.300508      1.237429      0.794406
  H      -5.725497     -2.525356     -0.193373
  H      -6.035276     -4.762877      0.893603
  H      -4.884355     -5.266208      3.051506
  H      -3.485723     -3.573452      4.150910
  H      -3.178772     -0.249591      8.563260
  H      -3.802328      0.045988      6.923226
  H      -4.509942      1.773924      9.384009
  H      -6.713336      1.764339      8.622480
  H      -5.525530     -0.821632      4.043719
  H     -10.110219     -0.663767      4.191069
  H     -11.800644      0.158737      5.851022
  H     -11.037905      1.181511      7.998317
  H      -8.642214      1.396213      8.501154
  N      -2.056860      4.312422      4.671447
  N      -2.059185      5.082968      3.852125
91
Coordinates from ORCA-job orca E -6254.216416316373
  N      -2.636760      4.472980      7.358137
  Mo     -2.187221      2.859831      6.247791
  N      -2.392307      1.462012      7.673964
  C      -1.287892      1.310514      8.615821
  C      -0.607962      2.649146      8.823527
  N      -0.354288      3.302122      7.504532
  C      -0.278359      4.783801      7.641711
  C      -1.668417      5.355136      7.940566
  C       0.869776      2.753261      6.842854
  C       0.579448      2.673381      5.347112
  N      -0.687255      1.988199      5.202238
  H      -1.732984      6.379230      7.514818
  H      -1.836513      5.466433      9.034934
  H       0.091631      5.172038      6.683271
  H       0.452565      5.044736      8.428278
  H       1.394850      2.156291      4.811080
  H       0.522054      3.701161      4.939640
  H       1.041684      1.741411      7.235012
  H       1.744174      3.381979      7.087697
  H      -1.638292      0.948415      9.599840
  H      -0.553842      0.553128      8.254258
  H      -1.271099      3.310306      9.396622
  H       0.344348      2.545644      9.375103
  C      -4.042283      4.780221      7.500141
  C      -4.761020      3.949070      6.471842
  C      -5.970303      4.162306      5.927072
  C      -6.513560      3.399288      4.808464
  N      -5.640758      2.759906      4.019054
  C      -6.141597      2.122124      2.934012
  N      -7.401434      2.071418      2.524040
  C      -8.314660      2.687049      3.333917
  C      -9.684416      2.666167      2.967574
  C     -10.629542      3.283497      3.762357
  C     -10.245616      3.939496      4.956109
  C      -8.916386      3.981954      5.333787
  C      -7.920778      3.377562      4.525479
  C      -0.690092      0.697972      4.518990
  C      -1.614764     -0.300609      5.147386
  C      -2.597817     -1.017656      4.546518
  C      -3.111828     -0.909013      3.179578
  N      -2.911206      0.221474      2.490021
  C      -3.468145      0.323184      1.260823
  N      -4.242453     -0.553498      0.638337
  C      -4.443710     -1.733492      1.301983
  C      -5.242162     -2.730744      0.685558
  C      -5.430240     -3.952667      1.298573
  C      -4.816852     -4.228474      2.543618
  C      -4.046241     -3.269692      3.174013
  C      -3.859444     -1.991238      2.585739
  C      -3.486559      0.510268      7.893323
  C      -4.673171      1.166499      8.535622
  C      -5.964613      1.164724      8.128749
  C      -6.550518      0.561162      6.929342
  N      -5.744197      0.099344      5.965577
  C      -6.307137     -0.387148      4.838151
  N      -7.596058     -0.496435      4.553956
  C      -8.452611     -0.050606      5.523471
  C      -9.848051     -0.162936      5.301345
  C     -10.745818      0.245315      6.266998
  C     -10.283852      0.777936      7.493296
  C      -8.929322      0.904427      7.736257
  C      -7.979399      0.494684      6.764444
  H      -4.246733      5.855316      7.313454
  H      -4.413033      4.563970      8.530878
  H      -4.235442      3.021502      6.141963
  H      -6.567134      4.987373      6.328956
  H      -5.406488      1.600284      2.314420
  H      -9.957101      2.141764      2.048523
  H     -11.684284      3.258879      3.475904
  H     -11.006126      4.409455      5.584717
  H      -8.634705      4.478807      6.264585
  H       0.338440      0.276705      4.547904
  H      -0.969461      0.825170      3.462659
  H      -1.404533     -0.532476      6.196548
  H      -3.082748     -1.781023      5.159877
  H      -3.258557      1.257543      0.726693
  H      -5.687060     -2.496923     -0.284564
  H      -6.045295     -4.717737      0.817756
  H      -4.951656     -5.208151      3.008242
  H      -3.566760     -3.517640      4.122148
  H      -3.130922     -0.289518      8.574752
  H      -3.785195      0.037895      6.954347
  H      -4.450807      1.715855      9.460175
  H      -6.666304      1.712373      8.761418
  H      -5.592940     -0.718108      4.070685
  H     -10.176730     -0.579085      4.346252
  H     -11.820440      0.158860      6.085955
  H     -11.003894      1.095841      8.251800
  H      -8.596209      1.309905      8.692876
  N      -2.031967      4.313957      4.714787
  N      -2.044491      5.089792      3.899519
91
Coordinates from ORCA-job orca E -6254.219827096415
  N      -2.676589      4.454155      7.379326
  Mo     -2.186433      2.843164      6.280882
  N      -2.374058      1.439264      7.708078
  C      -1.261189      1.298869      8.635394
  C      -0.598464      2.647120      8.832852
  N      -0.369899      3.299324      7.508613
  C      -0.317937      4.782148      7.643431
  C      -1.710801      5.337127      7.959932
  C       0.856292      2.763645      6.837143
  C       0.564810      2.677302      5.343555
  N      -0.695840      1.986597      5.199167
  H      -1.781377      6.364399      7.543739
  H      -1.866145      5.442284      9.055979
  H       0.038325      5.172007      6.681796
  H       0.418105      5.052894      8.420438
  H       1.382480      2.164915      4.808208
  H       0.503132      3.702071      4.931607
  H       1.036698      1.756825      7.235391
  H       1.722009      3.401190      7.084314
  H      -1.596369      0.932361      9.622840
  H      -0.524261      0.549528      8.268103
  H      -1.263862      3.303408      9.406981
  H       0.361483      2.565405      9.372100
  C      -4.082907      4.742791      7.507551
  C      -4.785738      3.907354      6.474570
  C      -5.990542      4.117239      5.914605
  C      -6.512955      3.366396      4.778156
  N      -5.626907      2.768683      3.975563
  C      -6.110583      2.161518      2.866662
  N      -7.364916      2.098535      2.450054
  C      -8.292810      2.664763      3.275927
  C      -9.659603      2.624285      2.904035
  C     -10.619113      3.193635      3.714428
  C     -10.253448      3.819024      4.929131
  C      -8.927615      3.880377      5.311770
  C      -7.918020      3.324004      4.489214
  C      -0.700206      0.710580      4.496448
  C      -1.645688     -0.273823      5.113709
  C      -2.631768     -0.982522      4.508296
  C      -3.129870     -0.882887      3.137597
  N      -2.911989      0.238088      2.437921
  C      -3.443109      0.324187      1.197871
  N      -4.209644     -0.555921      0.573239
  C      -4.436928     -1.722039      1.252037
  C      -5.235319     -2.719193      0.637596
  C      -5.448455     -3.928345      1.265230
  C      -4.860322     -4.190968      2.523622
  C      -4.090543     -3.231183      3.151605
  C      -3.879535     -1.965407      2.547979
  C      -3.462332      0.486450      7.928870
  C      -4.631868      1.148003      8.590818
  C      -5.926313      1.161278      8.197695
  C      -6.524304      0.543703      7.012858
  N      -5.725453      0.016136      6.079394
  C      -6.290245     -0.496558      4.965705
  N      -7.575954     -0.556186      4.662740
  C      -8.425750     -0.034644      5.598193
  C      -9.819992     -0.087767      5.351778
  C     -10.713928      0.391078      6.285496
  C     -10.250987      0.939359      7.503768
  C      -8.898077      1.011844      7.768762
  C      -7.951529      0.529732      6.828541
  H      -4.300716      5.814419      7.315630
  H      -4.462091      4.524334      8.532943
  H      -4.280780      2.967078      6.140422
  H      -6.595040      4.935749      6.313751
  H      -5.363574      1.680714      2.233209
  H      -9.917703      2.124774      1.969636
  H     -11.670326      3.154475      3.425237
  H     -11.024872      4.249161      5.568845
  H      -8.660371      4.350634      6.257999
  H       0.322269      0.278235      4.533523
  H      -0.966092      0.850578      3.437414
  H      -1.455490     -0.499853      6.165379
  H      -3.132501     -1.730086      5.125388
  H      -3.222324      1.250577      0.657037
  H      -5.659750     -2.496074     -0.341761
  H      -6.063123     -4.692060      0.786805
  H      -5.014113     -5.159700      3.000399
  H      -3.631665     -3.470076      4.109802
  H      -3.102348     -0.324643      8.593523
  H      -3.776472      0.029726      6.987943
  H      -4.391485      1.704932      9.503602
  H      -6.611654      1.732555      8.823569
  H      -5.578375     -0.891229      4.229409
  H     -10.150698     -0.517052      4.405751
  H     -11.785621      0.348776      6.086243
  H     -10.968324      1.312295      8.235908
  H      -8.563964      1.431846      8.716276
  N      -2.018745      4.312235      4.763144
  N      -2.038745      5.094657      3.951227
91
Coordinates from ORCA-job orca E -6254.221372216819
  N      -2.711616      4.418463      7.390793
  Mo     -2.148713      2.829780      6.290651
  N      -2.330944      1.399147      7.693179
  C      -1.224424      1.267987      8.627055
  C      -0.595097      2.630117      8.847414
  N      -0.372596      3.304346      7.532320
  C      -0.361174      4.787623      7.687127
  C      -1.770158      5.305716      8.002250
  C       0.874877      2.803660      6.869176
  C       0.611605      2.724581      5.370196
  N      -0.637878      2.019261      5.195110
  H      -1.854014      6.341591      7.610217
  H      -1.935375      5.383871      9.098590
  H      -0.007124      5.198187      6.734559
  H       0.362514      5.065721      8.472685
  H       1.447219      2.226748      4.848830
  H       0.547497      3.750853      4.961363
  H       1.068662      1.797444      7.261453
  H       1.723340      3.455780      7.141413
  H      -1.559161      0.880177      9.606475
  H      -0.467575      0.539232      8.256759
  H      -1.282165      3.264008      9.420904
  H       0.363409      2.568518      9.392563
  C      -4.127635      4.673839      7.486670
  C      -4.788415      3.835877      6.427277
  C      -5.983828      4.033502      5.837574
  C      -6.463793      3.286919      4.677701
  N      -5.548808      2.730942      3.885539
  C      -5.995440      2.141798      2.751227
  N      -7.239576      2.062236      2.303725
  C      -8.197738      2.579275      3.120432
  C      -9.556256      2.494816      2.724339
  C     -10.542301      2.998040      3.532461
  C     -10.213490      3.591810      4.771151
  C      -8.897250      3.690630      5.179617
  C      -7.861749      3.206537      4.359415
  C      -0.626113      0.762104      4.466717
  C      -1.603017     -0.202576      5.067729
  C      -2.606810     -0.885703      4.461930
  C      -3.085575     -0.795430      3.085665
  N      -2.789306      0.287424      2.338502
  C      -3.299683      0.361928      1.088622
  N      -4.114341     -0.490978      0.495389
  C      -4.433696     -1.615277      1.231169
  C      -5.296204     -2.581377      0.660777
  C      -5.605866     -3.748453      1.352990
  C      -5.054595     -3.998239      2.634961
  C      -4.223217     -3.066369      3.219622
  C      -3.910248     -1.844948      2.545964
  C      -3.408425      0.426991      7.883001
  C      -4.576270      1.071110      8.569373
  C      -5.886120      1.094718      8.213607
  C      -6.552315      0.482068      7.054861
  N      -5.818621     -0.085858      6.080515
  C      -6.457538     -0.586553      4.992776
  N      -7.763820     -0.589102      4.753560
  C      -8.550418     -0.025249      5.733396
  C      -9.962584      0.003136      5.543454
  C     -10.794345      0.529274      6.519148
  C     -10.249975      1.048103      7.722881
  C      -8.877810      1.051587      7.927833
  C      -7.992705      0.522791      6.940953
  H      -4.368958      5.741610      7.300900
  H      -4.529212      4.435967      8.499579
  H      -4.280814      2.899819      6.091961
  H      -6.611802      4.838824      6.226366
  H      -5.223567      1.699706      2.124057
  H      -9.785903      2.015354      1.773732
  H     -11.587165      2.926850      3.224787
  H     -11.006809      3.964463      5.410119
  H      -8.656950      4.125295      6.147986
  H       0.390721      0.315850      4.525179
  H      -0.866093      0.917560      3.401547
  H      -1.443820     -0.417757      6.129444
  H      -3.152586     -1.595796      5.094990
  H      -3.013914      1.255261      0.507531
  H      -5.692312     -2.369778     -0.336260
  H      -6.270632     -4.488399      0.908837
  H      -5.287426     -4.933962      3.165408
  H      -3.797484     -3.291342      4.201592
  H      -3.042368     -0.402128      8.523081
  H      -3.720673     -0.006472      6.928750
  H      -4.313919      1.626238      9.479007
  H      -6.541042      1.677813      8.865552
  H      -5.796772     -1.025130      4.222430
  H     -10.356222     -0.397149      4.603470
  H     -11.880079      0.548971      6.364054
  H     -10.919632      1.457974      8.489047
  H      -8.480341      1.456572      8.862820
  N      -1.964435      4.329725      4.802279
  N      -1.974849      5.124483      4.005706
91
Coordinates from ORCA-job orca E -6254.223753920795
  N      -2.740680      4.391296      7.423650
  Mo     -2.143181      2.830494      6.306615
  N      -2.321171      1.367969      7.672976
  C      -1.212654      1.224495      8.603798
  C      -0.592827      2.588623      8.848061
  N      -0.382916      3.294627      7.543837
  C      -0.390882      4.775306      7.730900
  C      -1.806587      5.266838      8.065950
  C       0.873180      2.827056      6.867880
  C       0.615186      2.776921      5.365803
  N      -0.631356      2.064835      5.170647
  H      -1.900694      6.316473      7.712420
  H      -1.968269      5.305041      9.165702
  H      -0.047741      5.213092      6.785755
  H       0.333487      5.047786      8.519659
  H       1.459345      2.291674      4.843955
  H       0.552200      3.810788      4.971872
  H       1.078605      1.813695      7.235193
  H       1.714468      3.482964      7.158459
  H      -1.540786      0.813452      9.577388
  H      -0.448337      0.510353      8.216098
  H      -1.287714      3.201038      9.436311
  H       0.368662      2.527439      9.389176
  C      -4.158574      4.635461      7.509329
  C      -4.803917      3.809755      6.432235
  C      -5.994922      4.020682      5.842796
  C      -6.477266      3.288624      4.679649
  N      -5.568416      2.699207      3.901157
  C      -6.014868      2.124621      2.761278
  N      -7.252324      2.092923      2.296529
  C      -8.207197      2.644765      3.099426
  C      -9.563958      2.592420      2.694892
  C     -10.547413      3.117193      3.499601
  C     -10.218288      3.689250      4.746875
  C      -8.904486      3.746389      5.167779
  C      -7.871786      3.246458      4.348895
  C      -0.606009      0.835327      4.395520
  C      -1.545516     -0.152253      4.992647
  C      -2.536646     -0.861830      4.409764
  C      -3.055936     -0.806161      3.057258
  N      -2.828093      0.264837      2.292487
  C      -3.396046      0.293602      1.080569
  N      -4.206770     -0.592746      0.539125
  C      -4.459452     -1.703435      1.292878
  C      -5.312177     -2.705081      0.777668
  C      -5.547179     -3.861032      1.487172
  C      -4.937241     -4.060339      2.735987
  C      -4.120503     -3.088616      3.271858
  C      -3.875927     -1.881829      2.574295
  C      -3.394740      0.382817      7.820814
  C      -4.566240      1.007678      8.528404
  C      -5.876853      1.057951      8.176364
  C      -6.558413      0.489540      7.008326
  N      -5.843330     -0.047054      6.010313
  C      -6.505151     -0.507413      4.921572
  N      -7.811425     -0.506673      4.702417
  C      -8.577703      0.017987      5.707622
  C      -9.987762      0.064020      5.528847
  C     -10.802985      0.567607      6.523848
  C     -10.241304      1.049722      7.732951
  C      -8.868721      1.042507      7.922668
  C      -7.999992      0.537447      6.915157
  H      -4.410864      5.703601      7.340670
  H      -4.569787      4.375343      8.514290
  H      -4.304131      2.874466      6.084760
  H      -6.620435      4.829460      6.231917
  H      -5.245950      1.655174      2.144693
  H      -9.795515      2.121924      1.739570
  H     -11.592121      3.075628      3.182886
  H     -11.012367      4.076498      5.384296
  H      -8.661393      4.154428      6.148062
  H       0.414041      0.401270      4.433156
  H      -0.856415      1.010902      3.337272
  H      -1.359483     -0.360892      6.046125
  H      -3.042548     -1.574391      5.057502
  H      -3.170186      1.179515      0.485314
  H      -5.757097     -2.530503     -0.195565
  H      -6.201223     -4.632661      1.081843
  H      -5.111957     -4.987483      3.279935
  H      -3.650637     -3.269284      4.232442
  H      -3.031562     -0.476631      8.424643
  H      -3.704970     -0.012091      6.845230
  H      -4.299282      1.536491      9.452451
  H      -6.526019      1.630240      8.845903
  H      -5.867847     -0.926796      4.132015
  H     -10.392859     -0.300620      4.580297
  H     -11.889208      0.599173      6.379674
  H     -10.898921      1.439744      8.516387
  H      -8.457950      1.421326      8.862284
  N      -1.954780      4.366474      4.853227
  N      -1.952184      5.177687      4.077202
91
Coordinates from ORCA-job orca E -6254.224259155450
  N      -2.742337      4.402711      7.396690
  Mo     -2.130699      2.814857      6.330937
  N      -2.321165      1.391000      7.728703
  C      -1.217583      1.265991      8.668801
  C      -0.592944      2.637212      8.879360
  N      -0.381598      3.311445      7.555948
  C      -0.391491      4.798267      7.708082
  C      -1.811042      5.292912      8.029648
  C       0.878400      2.829044      6.899512
  C       0.631819      2.738434      5.394290
  N      -0.621286      2.031453      5.202380
  H      -1.907603      6.337801      7.661455
  H      -1.975132      5.345883      9.130297
  H      -0.050209      5.217820      6.750534
  H       0.329153      5.096879      8.493419
  H       1.479728      2.231845      4.898219
  H       0.584133      3.762375      4.969275
  H       1.081126      1.820537      7.289567
  H       1.719811      3.488563      7.177122
  H      -1.548077      0.880951      9.652946
  H      -0.454224      0.541550      8.298464
  H      -1.291943      3.260843      9.452934
  H       0.365552      2.587681      9.427360
  C      -4.158954      4.657056      7.464880
  C      -4.796449      3.795618      6.411244
  C      -5.984892      3.996292      5.817182
  C      -6.467147      3.204044      4.693206
  N      -5.559829      2.525382      3.964005
  C      -5.999486      1.876589      2.856803
  N      -7.229665      1.851152      2.374356
  C      -8.185192      2.494000      3.127534
  C      -9.538291      2.458058      2.709722
  C     -10.523904      3.074196      3.475800
  C     -10.200638      3.717812      4.699218
  C      -8.890998      3.759694      5.133818
  C      -7.856342      3.174637      4.348875
  C      -0.600690      0.802564      4.421486
  C      -1.588735     -0.170745      4.991683
  C      -2.593797     -0.848456      4.382419
  C      -3.071545     -0.774548      3.009271
  N      -2.751256      0.278143      2.232483
  C      -3.270919      0.327496      0.982574
  N      -4.102575     -0.526274      0.403483
  C      -4.450186     -1.616484      1.165840
  C      -5.328526     -2.580521      0.610187
  C      -5.660931     -3.715463      1.331997
  C      -5.129688     -3.928046      2.634273
  C      -4.286901     -2.992090      3.208248
  C      -3.938707     -1.808639      2.498735
  C      -3.403875      0.419221      7.890188
  C      -4.570375      1.065913      8.586171
  C      -5.873967      1.121840      8.225541
  C      -6.540116      0.541088      7.067319
  N      -5.811765      0.008811      6.088271
  C      -6.462944     -0.474525      5.008363
  N      -7.756840     -0.516612      4.789460
  C      -8.532115     -0.006470      5.780040
  C      -9.928013     -0.021912      5.599783
  C     -10.755403      0.464681      6.579467
  C     -10.216465      0.995459      7.769092
  C      -8.855851      1.047918      7.957371
  C      -7.975070      0.553389      6.969430
  H      -4.414399      5.722594      7.265314
  H      -4.575354      4.423576      8.477253
  H      -4.298361      2.849250      6.095965
  H      -6.613935      4.828065      6.164939
  H      -5.229404      1.328539      2.286090
  H      -9.768007      1.927223      1.777474
  H     -11.566383      3.044241      3.148204
  H     -10.998336      4.171006      5.308896
  H      -8.648005      4.216896      6.102108
  H       0.409859      0.336009      4.484132
  H      -0.814902      0.993018      3.356142
  H      -1.436175     -0.384639      6.056690
  H      -3.148262     -1.543160      5.021379
  H      -2.971642      1.198430      0.379982
  H      -5.713191     -2.395166     -0.403628
  H      -6.334482     -4.461282      0.896495
  H      -5.383104     -4.838644      3.188156
  H      -3.877745     -3.180393      4.210867
  H      -3.055717     -0.438825      8.499280
  H      -3.721053      0.017750      6.916685
  H      -4.299250      1.607825      9.501554
  H      -6.529401      1.702959      8.876648
  H      -5.830968     -0.880872      4.223966
  H     -10.312536     -0.419041      4.662968
  H     -11.832310      0.448599      6.436597
  H     -10.883271      1.373150      8.540928
  H      -8.463569      1.464755      8.882089
  N      -1.939503      4.312587      4.840280
  N      -1.923785      5.103806      4.044344
91
Coordinates from ORCA-job orca E -6254.227202300407
  N      -2.771136      4.391385      7.390706
  Mo     -2.127766      2.797310      6.349361
  N      -2.315022      1.379966      7.757092
  C      -1.211466      1.265361      8.695313
  C      -0.599420      2.642193      8.897000
  N      -0.396535      3.309555      7.568163
  C      -0.424004      4.797422      7.712884
  C      -1.846982      5.280755      8.032363
  C       0.868251      2.832482      6.915748
  C       0.632255      2.728081      5.410671
  N      -0.615836      2.019418      5.213607
  H      -1.945043      6.327156      7.671091
  H      -2.013558      5.327471      9.132246
  H      -0.086093      5.213192      6.753890
  H       0.293394      5.105756      8.495258
  H       1.483082      2.216742      4.926842
  H       0.589399      3.745950      4.974169
  H       1.074320      1.829598      7.316650
  H       1.701210      3.498945      7.195840
  H      -1.538119      0.883987      9.681322
  H      -0.445722      0.544124      8.329436
  H      -1.301736      3.265672      9.465178
  H       0.359710      2.607468      9.442382
  C      -4.188357      4.639901      7.433966
  C      -4.811391      3.770748      6.377539
  C      -5.991886      3.972700      5.762701
  C      -6.466893      3.176754      4.637086
  N      -5.560294      2.535338      3.895503
  C      -5.999804      1.905955      2.780371
  N      -7.229837      1.868109      2.301508
  C      -8.185330      2.467477      3.070498
  C      -9.537163      2.415369      2.657248
  C     -10.522184      2.980249      3.440754
  C     -10.200255      3.599223      4.672141
  C      -8.891214      3.669164      5.096388
  C      -7.856333      3.127222      4.297775
  C      -0.597099      0.802513      4.417039
  C      -1.588559     -0.172480      4.975441
  C      -2.593577     -0.845790      4.359106
  C      -3.070862     -0.760895      2.986275
  N      -2.737299      0.294505      2.223633
  C      -3.250486      0.355955      0.972060
  N      -4.086728     -0.487842      0.379285
  C      -4.444846     -1.580452      1.124110
  C      -5.327046     -2.533454      0.550498
  C      -5.666217     -3.674507      1.248254
  C      -5.137215     -3.905641      2.543156
  C      -4.292797     -2.980764      3.135329
  C      -3.940088     -1.788265      2.453808
  C      -3.393892      0.410742      7.923819
  C      -4.540425      1.058661      8.641932
  C      -5.846978      1.117941      8.301129
  C      -6.527694      0.514722      7.160590
  N      -5.807674     -0.091799      6.209481
  C      -6.460083     -0.602521      5.139114
  N      -7.758633     -0.587150      4.910130
  C      -8.529485      0.007090      5.874579
  C      -9.927963      0.048686      5.683184
  C     -10.745699      0.611141      6.637144
  C     -10.196000      1.156577      7.815445
  C      -8.833862      1.149169      8.016936
  C      -7.962225      0.581992      7.052235
  H      -4.445241      5.702283      7.222854
  H      -4.619025      4.412640      8.439955
  H      -4.324038      2.810549      6.074675
  H      -6.617773      4.808613      6.094864
  H      -5.231219      1.394607      2.196676
  H      -9.765448      1.907357      1.718990
  H     -11.562639      2.931789      3.120875
  H     -10.995989      4.010881      5.293975
  H      -8.650468      4.109364      6.066405
  H       0.410291      0.334115      4.476042
  H      -0.807480      1.005971      3.353766
  H      -1.437982     -0.390822      6.036001
  H      -3.144491     -1.542863      4.990246
  H      -2.945536      1.230636      0.384230
  H      -5.709356     -2.334529     -0.455571
  H      -6.340785     -4.410244      0.799521
  H      -5.393084     -4.821176      3.076121
  H      -3.886669     -3.186293      4.128444
  H      -3.040555     -0.454809      8.517805
  H      -3.726928      0.023499      6.952373
  H      -4.248306      1.611713      9.543977
  H      -6.483973      1.717029      8.949915
  H      -5.826931     -1.077500      4.374611
  H     -10.320353     -0.368426      4.759265
  H     -11.822424      0.640212      6.484928
  H     -10.855165      1.589348      8.568712
  H      -8.435313      1.572584      8.934013
  N      -1.920244      4.293514      4.856887
  N      -1.901533      5.088206      4.052598
91
Coordinates from ORCA-job orca E -6254.228350879642
  N      -2.800698      4.344543      7.388961
  Mo     -2.101815      2.784536      6.337504
  N      -2.280983      1.341115      7.712433
  C      -1.190408      1.227217      8.665839
  C      -0.608700      2.611929      8.903754
  N      -0.404418      3.310753      7.592192
  C      -0.469741      4.793469      7.770020
  C      -1.909659      5.232505      8.078579
  C       0.880567      2.875652      6.950784
  C       0.674996      2.787795      5.439330
  N      -0.559271      2.062157      5.207552
  H      -2.028320      6.287467      7.752736
  H      -2.096611      5.234548      9.175043
  H      -0.132157      5.239186      6.827242
  H       0.226790      5.102366      8.568989
  H       1.543887      2.290480      4.973782
  H       0.630769      3.808437      5.009675
  H       1.104464      1.871145      7.333236
  H       1.695712      3.555559      7.254415
  H      -1.524503      0.821855      9.638888
  H      -0.404367      0.528715      8.297096
  H      -1.332694      3.205405      9.475922
  H       0.343985      2.583200      9.459746
  C      -4.224149      4.569691      7.406104
  C      -4.813872      3.703164      6.327632
  C      -5.992405      3.899945      5.703088
  C      -6.461341      3.105121      4.572239
  N      -5.549118      2.461684      3.837671
  C      -5.982604      1.835757      2.718377
  N      -7.209877      1.804211      2.226853
  C      -8.172137      2.401863      2.989520
  C      -9.521764      2.362708      2.559633
  C     -10.514379      2.920092      3.338940
  C     -10.203142      3.521031      4.580550
  C      -8.895405      3.585106      5.018027
  C      -7.851371      3.054125      4.222281
  C      -0.511156      0.871531      4.376520
  C      -1.480352     -0.126051      4.923681
  C      -2.483240     -0.808737      4.319676
  C      -2.980622     -0.740188      2.957244
  N      -2.622536      0.280501      2.156413
  C      -3.181812      0.344526      0.936365
  N      -4.083414     -0.465065      0.410964
  C      -4.463897     -1.526497      1.192415
  C      -5.424304     -2.439715      0.697003
  C      -5.797365     -3.546228      1.441060
  C      -5.222359     -3.782338      2.701412
  C      -4.301081     -2.894776      3.217025
  C      -3.912997     -1.736783      2.489201
  C      -3.348045      0.352351      7.841548
  C      -4.496912      0.964293      8.595039
  C      -5.812311      1.038979      8.277811
  C      -6.534299      0.477088      7.136269
  N      -5.858849     -0.117532      6.143540
  C      -6.560011     -0.572541      5.077704
  N      -7.869693     -0.515505      4.883720
  C      -8.599597      0.067719      5.888282
  C     -10.010443      0.151858      5.741376
  C     -10.783218      0.717025      6.738585
  C     -10.175228      1.216595      7.916327
  C      -8.800666      1.158377      8.077052
  C      -7.974316      0.589810      7.068569
  H      -4.495902      5.628678      7.208784
  H      -4.669881      4.318864      8.399357
  H      -4.305479      2.758382      6.029234
  H      -6.627739      4.726973      6.032819
  H      -5.211415      1.318599      2.143138
  H      -9.741960      1.866115      1.613802
  H     -11.554494      2.878679      3.007473
  H     -11.005587      3.924104      5.200431
  H      -8.663008      4.010410      5.995797
  H       0.501186      0.419345      4.432300
  H      -0.719520      1.090779      3.317035
  H      -1.323269     -0.337904      5.984482
  H      -3.029819     -1.496755      4.965957
  H      -2.860941      1.193421      0.317433
  H      -5.844377     -2.237123     -0.281880
  H      -6.535138     -4.249460      1.054930
  H      -5.508859     -4.671436      3.273104
  H      -3.865405     -3.098520      4.189031
  H      -2.985428     -0.538843      8.397711
  H      -3.679862      0.004468      6.855607
  H      -4.192205      1.487558      9.509559
  H      -6.432568      1.627708      8.957712
  H      -5.963437     -1.031342      4.279264
  H     -10.447903     -0.234244      4.815633
  H     -11.870410      0.784767      6.620141
  H     -10.798539      1.651554      8.704197
  H      -8.357550      1.543825      8.998758
  N      -1.905991      4.309256      4.870401
  N      -1.870889      5.113490      4.085911
91
Coordinates from ORCA-job orca E -6254.229947978806
  N      -2.813286      4.340000      7.382284
  Mo     -2.097236      2.777015      6.352422
  N      -2.277848      1.342092      7.731482
  C      -1.191653      1.234308      8.690317
  C      -0.611161      2.621407      8.919554
  N      -0.410553      3.314065      7.602634
  C      -0.485146      4.796935      7.775043
  C      -1.927976      5.225719      8.084001
  C       0.877619      2.882198      6.964812
  C       0.680640      2.779160      5.452215
  N      -0.555302      2.057304      5.218043
  H      -2.050851      6.283743      7.770020
  H      -2.116960      5.214620      9.180522
  H      -0.152690      5.241913      6.829498
  H       0.209357      5.114738      8.572639
  H       1.550964      2.269316      5.002705
  H       0.648677      3.794192      5.007237
  H       1.105012      1.880932      7.354350
  H       1.688811      3.567249      7.265198
  H      -1.527731      0.835106      9.665518
  H      -0.404674      0.535048      8.326982
  H      -1.336890      3.215188      9.489172
  H       0.341408      2.598464      9.475175
  C      -4.234758      4.568031      7.382998
  C      -4.818038      3.692383      6.309136
  C      -5.990445      3.893422      5.678883
  C      -6.466014      3.080483      4.565970
  N      -5.562620      2.406769      3.847904
  C      -6.002386      1.757582      2.745458
  N      -7.227649      1.734833      2.251635
  C      -8.181894      2.366466      2.997835
  C      -9.531218      2.333926      2.570555
  C     -10.516289      2.918215      3.341144
  C     -10.198232      3.543609      4.569342
  C      -8.890512      3.604318      5.001943
  C      -7.854221      3.041956      4.215833
  C      -0.516023      0.879678      4.369008
  C      -1.495810     -0.116092      4.905638
  C      -2.497478     -0.795199      4.295934
  C      -2.982336     -0.729450      2.928705
  N      -2.602344      0.278135      2.125221
  C      -3.145971      0.337195      0.892348
  N      -4.041021     -0.472719      0.349412
  C      -4.437974     -1.523030      1.131065
  C      -5.386592     -2.437985      0.612375
  C      -5.777935     -3.533248      1.356854
  C      -5.236485     -3.754379      2.643172
  C      -4.324633     -2.865956      3.179190
  C      -3.915067     -1.720751      2.448914
  C      -3.345160      0.355123      7.854137
  C      -4.486516      0.965713      8.619356
  C      -5.803716      1.044469      8.311142
  C      -6.532378      0.478589      7.177489
  N      -5.864293     -0.142623      6.198030
  C      -6.570007     -0.607945      5.140751
  N      -7.876145     -0.550833      4.949182
  C      -8.599113      0.055390      5.941885
  C     -10.006649      0.143093      5.794375
  C     -10.773694      0.740077      6.775030
  C     -10.162286      1.270162      7.935217
  C      -8.790396      1.207350      8.096686
  C      -7.969724      0.604631      7.105914
  H      -4.503905      5.625770      7.175721
  H      -4.689406      4.323946      8.373662
  H      -4.315717      2.739428      6.026083
  H      -6.618707      4.732699      5.989199
  H      -5.237654      1.215403      2.183395
  H      -9.757478      1.819789      1.635544
  H     -11.556057      2.881669      3.012393
  H     -10.995213      3.967240      5.183060
  H      -8.652136      4.048830      5.969773
  H       0.491571      0.414461      4.420627
  H      -0.718693      1.114713      3.312265
  H      -1.344484     -0.328886      5.967084
  H      -3.045979     -1.483230      4.938424
  H      -2.811690      1.177333      0.273465
  H      -5.781003     -2.246720     -0.387181
  H      -6.505784     -4.238645      0.952767
  H      -5.538825     -4.633624      3.216140
  H      -3.914195     -3.058579      4.170730
  H      -2.985194     -0.547909      8.391465
  H      -3.685637      0.025801      6.864817
  H      -4.171751      1.488477      9.530184
  H      -6.418940      1.632212      8.994658
  H      -5.981314     -1.087740      4.350685
  H     -10.445430     -0.264538      4.880926
  H     -11.858263      0.811217      6.656542
  H     -10.780927      1.731327      8.709991
  H      -8.345909      1.616422      9.005390
  N      -1.898105      4.297092      4.879549
  N      -1.851530      5.098522      4.092705
91
Coordinates from ORCA-job orca E -6254.230859422461
  N      -2.822007      4.331572      7.349064
  Mo     -2.079491      2.755030      6.365439
  N      -2.263827      1.348948      7.767155
  C      -1.187495      1.259702      8.739710
  C      -0.611853      2.652802      8.947548
  N      -0.410174      3.325230      7.618615
  C      -0.501995      4.811067      7.766681
  C      -1.951386      5.227754      8.058530
  C       0.884893      2.892256      6.994844
  C       0.704097      2.753093      5.482207
  N      -0.529107      2.028419      5.249292
  H      -2.080797      6.284154      7.742080
  H      -2.152085      5.215521      9.154014
  H      -0.169929      5.243903      6.814016
  H       0.183316      5.151239      8.563754
  H       1.578503      2.226420      5.060285
  H       0.684000      3.755753      5.008777
  H       1.118833      1.900320      7.406457
  H       1.687924      3.589997      7.284533
  H      -1.532362      0.879369      9.719577
  H      -0.397858      0.555046      8.395860
  H      -1.341878      3.252809      9.505298
  H       0.338627      2.643222      9.507229
  C      -4.242827      4.559524      7.321450
  C      -4.814382      3.660030      6.259826
  C      -5.977422      3.855242      5.613746
  C      -6.451070      3.004825      4.526399
  N      -5.546167      2.306776      3.831861
  C      -5.984739      1.618779      2.751265
  N      -7.210400      1.581306      2.254991
  C      -8.165316      2.239986      2.978599
  C      -9.514971      2.195231      2.550697
  C     -10.500595      2.802763      3.304772
  C     -10.183212      3.468815      4.514194
  C      -8.874708      3.546131      4.943409
  C      -7.838494      2.957379      4.174285
  C      -0.499548      0.859526      4.388431
  C      -1.495368     -0.137081      4.906496
  C      -2.505820     -0.796544      4.282868
  C      -2.980323     -0.701516      2.910666
  N      -2.535456      0.290128      2.117666
  C      -3.074568      0.400428      0.882874
  N      -4.019702     -0.347414      0.329901
  C      -4.480751     -1.383645      1.099160
  C      -5.490201     -2.228232      0.570538
  C      -5.954156     -3.306042      1.301848
  C      -5.424159     -3.581625      2.583314
  C      -4.452836     -2.762684      3.129459
  C      -3.968356     -1.634084      2.414448
  C      -3.336719      0.371762      7.900141
  C      -4.464172      0.988153      8.678409
  C      -5.782252      1.063281      8.378680
  C      -6.502319      0.475481      7.255443
  N      -5.823746     -0.189161      6.316849
  C      -6.512752     -0.689895      5.267875
  N      -7.810349     -0.640539      5.055181
  C      -8.543464      0.006734      6.007901
  C      -9.942942      0.081224      5.838769
  C     -10.722050      0.719183      6.776038
  C     -10.130268      1.306661      7.913001
  C      -8.766379      1.255163      8.097499
  C      -7.933530      0.607115      7.153177
  H      -4.507563      5.613937      7.088552
  H      -4.711637      4.335219      8.310198
  H      -4.311514      2.698562      6.011446
  H      -6.602064      4.710055      5.889090
  H      -5.219254      1.057623      2.207212
  H      -9.740987      1.652218      1.630666
  H     -11.540387      2.755424      2.977211
  H     -10.980430      3.909170      5.116563
  H      -8.636043      4.024048      5.896502
  H       0.503442      0.380538      4.433446
  H      -0.696229      1.112134      3.334731
  H      -1.353182     -0.360561      5.968299
  H      -3.071390     -1.483338      4.915748
  H      -2.686623      1.226920      0.272271
  H      -5.874883     -1.995988     -0.424301
  H      -6.730708     -3.955552      0.891176
  H      -5.785310     -4.446559      3.145793
  H      -4.055494     -2.997806      4.117448
  H      -2.979309     -0.538629      8.422392
  H      -3.694819      0.055051      6.913379
  H      -4.136981      1.519281      9.579840
  H      -6.396821      1.654584      9.055555
  H      -5.915458     -1.200223      4.506571
  H     -10.365255     -0.370703      4.944250
  H     -11.799767      0.779779      6.640686
  H     -10.757734      1.802869      8.652463
  H      -8.340005      1.707506      8.988759
  N      -1.877753      4.250418      4.865650
  N      -1.817145      5.041809      4.062866
91
Coordinates from ORCA-job orca E -6254.231845045721
  N      -2.836766      4.315160      7.348692
  Mo     -2.080106      2.748033      6.368164
  N      -2.256708      1.338981      7.762479
  C      -1.186082      1.251091      8.741818
  C      -0.616452      2.645974      8.955142
  N      -0.418075      3.325919      7.629427
  C      -0.523763      4.809733      7.784238
  C      -1.977689      5.209373      8.075360
  C       0.880980      2.906050      7.005416
  C       0.706633      2.763687      5.492019
  N      -0.523382      2.035701      5.254802
  H      -2.116409      6.268829      7.774489
  H      -2.183904      5.177602      9.169342
  H      -0.196191      5.250059      6.833862
  H       0.156538      5.153649      8.583853
  H       1.584132      2.234316      5.079588
  H       0.689937      3.764105      5.013737
  H       1.124837      1.916582      7.415691
  H       1.677375      3.611819      7.294408
  H      -1.535663      0.867751      9.718821
  H      -0.392258      0.550333      8.400039
  H      -1.349254      3.238839      9.516427
  H       0.334277      2.637787      9.514152
  C      -4.257114      4.541303      7.311255
  C      -4.824066      3.640325      6.248771
  C      -5.984647      3.838473      5.600607
  C      -6.464856      2.982534      4.520651
  N      -5.563711      2.272550      3.833235
  C      -6.007042      1.578290      2.759580
  N      -7.233501      1.542267      2.264570
  C      -8.184455      2.213187      2.981345
  C      -9.534026      2.177196      2.549785
  C     -10.516483      2.798876      3.295682
  C     -10.195981      3.471449      4.499454
  C      -8.886725      3.542128      4.930347
  C      -7.853262      2.939933      4.168823
  C      -0.495714      0.883077      4.373093
  C      -1.478829     -0.128964      4.882921
  C      -2.480899     -0.797654      4.258091
  C      -2.956383     -0.706212      2.887028
  N      -2.507516      0.276843      2.090653
  C      -3.043027      0.380612      0.852261
  N      -3.982305     -0.371866      0.295399
  C      -4.441331     -1.403769      1.066209
  C      -5.440020     -2.255752      0.529493
  C      -5.902961     -3.328389      1.261459
  C      -5.381616     -3.592296      2.551206
  C      -4.420275     -2.766764      3.104716
  C      -3.938455     -1.641853      2.389995
  C      -3.327949      0.358393      7.884757
  C      -4.449589      0.958493      8.685233
  C      -5.771015      1.043278      8.399638
  C      -6.508583      0.478147      7.274599
  N      -5.851454     -0.200622      6.327848
  C      -6.559469     -0.682794      5.282287
  N      -7.861276     -0.608746      5.080902
  C      -8.574536      0.053380      6.040857
  C      -9.978525      0.149539      5.889675
  C     -10.735646      0.807999      6.833966
  C     -10.117486      1.392568      7.961222
  C      -8.749766      1.314153      8.131690
  C      -7.939202      0.644074      7.180739
  H      -4.519273      5.595432      7.077166
  H      -4.731867      4.316277      8.296625
  H      -4.316213      2.680900      6.010054
  H      -6.603697      4.699192      5.867805
  H      -5.245402      1.008892      2.219843
  H      -9.762404      1.629393      1.633636
  H     -11.556574      2.758133      2.965920
  H     -10.991094      3.923079      5.096390
  H      -8.646412      4.028283      5.877970
  H       0.509396      0.408666      4.402775
  H      -0.701234      1.150328      3.325094
  H      -1.330719     -0.356975      5.942248
  H      -3.032497     -1.496242      4.887328
  H      -2.653833      1.201351      0.239384
  H      -5.817227     -2.033152     -0.472532
  H      -6.671463     -3.982922      0.844305
  H      -5.742025     -4.453504      3.114180
  H      -4.028242     -2.994221      4.097756
  H      -2.967367     -0.566101      8.380950
  H      -3.694517      0.065752      6.893325
  H      -4.112778      1.474423      9.591725
  H      -6.375652      1.626978      9.093949
  H      -5.976432     -1.198720      4.512578
  H     -10.422252     -0.304785      5.003667
  H     -11.816597      0.886577      6.711559
  H     -10.727052      1.906656      8.705856
  H      -8.303962      1.761979      9.018868
  N      -1.890586      4.250435      4.872013
  N      -1.824179      5.043711      4.075111
91
Coordinates from ORCA-job orca E -6254.232470878573
  N      -2.849424      4.302845      7.349461
  Mo     -2.075102      2.743988      6.373741
  N      -2.245163      1.329741      7.760076
  C      -1.182957      1.244370      8.747853
  C      -0.620116      2.640879      8.965638
  N      -0.423660      3.326961      7.642681
  C      -0.543605      4.808519      7.802345
  C      -2.001124      5.193196      8.092438
  C       0.880177      2.919956      7.019513
  C       0.714548      2.775728      5.505678
  N      -0.511312      2.045124      5.262949
  H      -2.146334      6.255757      7.806202
  H      -2.212384      5.144227      9.184472
  H      -0.219044      5.254129      6.854215
  H       0.132350      5.155644      8.603657
  H       1.595527      2.244781      5.102203
  H       0.701500      3.774572      5.023922
  H       1.133099      1.934300      7.431189
  H       1.668420      3.634601      7.310255
  H      -1.539229      0.858099      9.721073
  H      -0.384100      0.547073      8.410877
  H      -1.355171      3.229075      9.528475
  H       0.330703      2.636104      9.523811
  C      -4.268545      4.528751      7.296800
  C      -4.829645      3.626614      6.232589
  C      -5.984950      3.829012      5.576625
  C      -6.472319      2.970561      4.503433
  N      -5.579994      2.246366      3.825097
  C      -6.031977      1.547039      2.760459
  N      -7.258778      1.513795      2.269564
  C      -8.200630      2.201114      2.977597
  C      -9.550647      2.166775      2.550634
  C     -10.524145      2.807747      3.286361
  C     -10.194562      3.496513      4.476416
  C      -8.885113      3.561534      4.903959
  C      -7.860410      2.938595      4.152932
  C      -0.488069      0.914293      4.355615
  C      -1.458201     -0.109750      4.858078
  C      -2.451696     -0.787860      4.233971
  C      -2.926822     -0.706971      2.864327
  N      -2.464380      0.254370      2.052380
  C      -3.003580      0.351109      0.819470
  N      -3.955913     -0.391691      0.280028
  C      -4.427873     -1.404676      1.067300
  C      -5.444788     -2.244174      0.551946
  C      -5.929785     -3.291516      1.306327
  C      -5.410586     -3.543673      2.597088
  C      -4.429936     -2.730904      3.128393
  C      -3.926045     -1.630949      2.389812
  C      -3.310663      0.341283      7.862640
  C      -4.433020      0.919811      8.676406
  C      -5.756590      1.003665      8.399681
  C      -6.502018      0.453133      7.271413
  N      -5.857296     -0.232926      6.320834
  C      -6.575179     -0.706812      5.277830
  N      -7.878756     -0.628894      5.086262
  C      -8.579673      0.040103      6.049557
  C      -9.985707      0.146997      5.908154
  C     -10.730114      0.823961      6.850340
  C     -10.097437      1.419032      7.965441
  C      -8.728217      1.329380      8.127619
  C      -7.930947      0.637831      7.179764
  H      -4.525284      5.582541      7.057534
  H      -4.754449      4.306747      8.277118
  H      -4.321609      2.664558      6.004047
  H      -6.595398      4.696924      5.835013
  H      -5.277372      0.970023      2.224235
  H      -9.785995      1.607718      1.644698
  H     -11.563988      2.771190      2.959282
  H     -10.982991      3.964685      5.065927
  H      -8.639459      4.060404      5.841336
  H       0.518872      0.444644      4.367191
  H      -0.705003      1.198182      3.314041
  H      -1.308839     -0.338453      5.916225
  H      -2.995586     -1.488995      4.865335
  H      -2.604382      1.155088      0.194585
  H      -5.820843     -2.030594     -0.450153
  H      -6.714629     -3.933500      0.906386
  H      -5.790255     -4.384407      3.179834
  H      -4.040955     -2.948640      4.123461
  H      -2.946121     -0.596467      8.331781
  H      -3.677185      0.072115      6.864825
  H      -4.096418      1.422330      9.589291
  H      -6.357539      1.572487      9.109014
  H      -5.998925     -1.224587      4.504675
  H     -10.441834     -0.313595      5.030573
  H     -11.812346      0.909949      6.734918
  H     -10.696418      1.950451      8.707319
  H      -8.271520      1.785789      9.006060
  N      -1.889294      4.256430      4.883833
  N      -1.816667      5.053301      4.093307
91
Coordinates from ORCA-job orca E -6254.233163942589
  N      -2.864280      4.290699      7.349594
  Mo     -2.079866      2.729830      6.385001
  N      -2.237412      1.322654      7.778130
  C      -1.175786      1.245285      8.767465
  C      -0.618526      2.645678      8.977524
  N      -0.430089      3.329187      7.651327
  C      -0.562318      4.811287      7.803530
  C      -2.022206      5.186254      8.093422
  C       0.875801      2.929512      7.026545
  C       0.709160      2.773244      5.514306
  N      -0.512825      2.035642      5.278400
  H      -2.173967      6.248300      7.808109
  H      -2.234074      5.135143      9.185521
  H      -0.242791      5.253662      6.851745
  H       0.113064      5.168356      8.601627
  H       1.592085      2.242033      5.114410
  H       0.692879      3.769009      5.025491
  H       1.140340      1.950074      7.446613
  H       1.657089      3.655272      7.309435
  H      -1.532997      0.863034      9.742242
  H      -0.374511      0.547894      8.435606
  H      -1.352361      3.233904      9.542164
  H       0.335868      2.647723      9.530841
  C      -4.283707      4.515490      7.288736
  C      -4.843283      3.603002      6.231670
  C      -5.994059      3.802026      5.565805
  C      -6.474473      2.930946      4.497617
  N      -5.574547      2.198405      3.835286
  C      -6.017397      1.485536      2.773924
  N      -7.242516      1.440412      2.277031
  C      -8.191428      2.137306      2.968788
  C      -9.539048      2.096548      2.530514
  C     -10.519462      2.754474      3.244502
  C     -10.199103      3.465044      4.425452
  C      -8.892465      3.533968      4.865229
  C      -7.860865      2.895191      4.135419
  C      -0.498020      0.921056      4.351194
  C      -1.460303     -0.116784      4.840865
  C      -2.446605     -0.796458      4.205278
  C      -2.915788     -0.703991      2.832913
  N      -2.435362      0.253521      2.026426
  C      -2.967071      0.362987      0.791239
  N      -3.928758     -0.363574      0.245743
  C      -4.418654     -1.374156      1.026970
  C      -5.447265     -2.195795      0.504791
  C      -5.951903     -3.238967      1.251807
  C      -5.438850     -3.506635      2.541103
  C      -4.447540     -2.711101      3.079928
  C      -3.924911     -1.614051      2.349688
  C      -3.303926      0.335303      7.884699
  C      -4.416286      0.905099      8.718864
  C      -5.742832      0.993446      8.455535
  C      -6.494345      0.455327      7.326024
  N      -5.856682     -0.246288      6.381412
  C      -6.577400     -0.714697      5.338410
  N      -7.880879     -0.621291      5.144681
  C      -8.574054      0.067779      6.100368
  C      -9.979131      0.192277      5.956918
  C     -10.715463      0.892399      6.888720
  C     -10.075640      1.495226      7.995590
  C      -8.707699      1.386893      8.161577
  C      -7.919317      0.667618      7.225894
  H      -4.537438      5.567814      7.036484
  H      -4.774901      4.305326      8.269439
  H      -4.332953      2.638838      6.017450
  H      -6.602477      4.676795      5.809992
  H      -5.256172      0.902592      2.249753
  H      -9.767299      1.521219      1.631958
  H     -11.557265      2.714272      2.907795
  H     -10.993199      3.947334      4.998432
  H      -8.654809      4.049958      5.796619
  H       0.511264      0.455254      4.341878
  H      -0.727930      1.222444      3.316560
  H      -1.313108     -0.356291      5.898167
  H      -2.988571     -1.507819      4.828128
  H      -2.552693      1.163749      0.171216
  H      -5.817605     -1.970829     -0.496146
  H      -6.747160     -3.865625      0.846127
  H      -5.833555     -4.344403      3.118096
  H      -4.064384     -2.941532      4.073934
  H      -2.934644     -0.610024      8.335620
  H      -3.683133      0.078916      6.887000
  H      -4.070531      1.399282      9.634241
  H      -6.337126      1.556793      9.175579
  H      -6.003328     -1.241149      4.568261
  H     -10.441834     -0.274148      5.085960
  H     -11.796871      0.991141      6.770678
  H     -10.667961      2.048232      8.727769
  H      -8.245638      1.851327      9.032808
  N      -1.905944      4.236980      4.886407
  N      -1.837820      5.030965      4.091691
91
Coordinates from ORCA-job orca E -6254.233787151005
  N      -2.873996      4.288543      7.349468
  Mo     -2.086800      2.721367      6.396572
  N      -2.231675      1.325083      7.799847
  C      -1.170677      1.257356      8.790082
  C      -0.615286      2.660316      8.987959
  N      -0.434233      3.335716      7.656489
  C      -0.573081      4.818450      7.797769
  C      -2.033360      5.189610      8.088681
  C       0.871572      2.937727      7.029675
  C       0.700831      2.765052      5.519617
  N      -0.519832      2.023226      5.296321
  H      -2.188567      6.250368      7.800120
  H      -2.243592      5.141732      9.181460
  H      -0.258468      5.253990      6.840980
  H       0.103646      5.185365      8.590474
  H       1.583334      2.230374      5.122892
  H       0.682960      3.756473      5.021020
  H       1.146061      1.965538      7.460735
  H       1.648059      3.672834      7.300228
  H      -1.528837      0.882690      9.767440
  H      -0.368511      0.558020      8.464868
  H      -1.345542      3.252410      9.553411
  H       0.342500      2.667728      9.535241
  C      -4.292218      4.518421      7.282513
  C      -4.854986      3.594006      6.237165
  C      -6.000615      3.791979      5.562437
  C      -6.480930      2.908704      4.503437
  N      -5.580372      2.162203      3.855463
  C      -6.021216      1.436822      2.800870
  N      -7.245009      1.387109      2.301617
  C      -8.194581      2.099323      2.978517
  C      -9.540469      2.058377      2.534327
  C     -10.521431      2.737019      3.229058
  C     -10.202475      3.469200      4.396953
  C      -8.897705      3.537314      4.843480
  C      -7.865763      2.876720      4.133419
  C      -0.520119      0.923985      4.351911
  C      -1.474432     -0.125046      4.836505
  C      -2.453142     -0.808631      4.191891
  C      -2.911951     -0.708031      2.815449
  N      -2.408048      0.242899      2.014253
  C      -2.925315      0.362830      0.772916
  N      -3.892859     -0.348715      0.216273
  C      -4.407063     -1.353690      0.991194
  C      -5.444411     -2.157562      0.456489
  C      -5.976057     -3.192614      1.196359
  C      -5.480266     -3.471206      2.490308
  C      -4.480623     -2.693199      3.041694
  C      -3.931034     -1.603179      2.319706
  C      -3.294684      0.334436      7.909587
  C      -4.403282      0.890364      8.756167
  C      -5.731507      0.972048      8.499914
  C      -6.479619      0.436767      7.368391
  N      -5.841804     -0.284637      6.438746
  C      -6.558381     -0.758714      5.396087
  N      -7.860183     -0.658034      5.194205
  C      -8.552122      0.056156      6.132303
  C      -9.954329      0.192815      5.977617
  C     -10.688422      0.922649      6.887383
  C     -10.049028      1.544196      7.983349
  C      -8.684306      1.421833      8.162139
  C      -7.899274      0.669648      7.250516
  H      -4.538606      5.568725      7.013309
  H      -4.787690      4.326950      8.264882
  H      -4.345984      2.626116      6.040510
  H      -6.601895      4.676386      5.791149
  H      -5.258178      0.847504      2.285453
  H      -9.767590      1.466914      1.646242
  H     -11.557855      2.696899      2.887258
  H     -10.996700      3.969687      4.954351
  H      -8.662202      4.070431      5.765932
  H       0.490679      0.460957      4.313976
  H      -0.769169      1.240651      3.326293
  H      -1.330369     -0.370486      5.893626
  H      -2.995207     -1.527491      4.807811
  H      -2.489447      1.157514      0.156829
  H      -5.800571     -1.924466     -0.547818
  H      -6.778990     -3.804228      0.780538
  H      -5.895122     -4.303123      3.061155
  H      -4.111053     -2.934005      4.038002
  H      -2.918249     -0.614578      8.345939
  H      -3.680780      0.085162      6.912632
  H      -4.056701      1.379590      9.674035
  H      -6.327054      1.524665      9.226600
  H      -5.981917     -1.296326      4.635405
  H     -10.417500     -0.286777      5.114823
  H     -11.767417      1.030696      6.759456
  H     -10.639084      2.123023      8.696330
  H      -8.222015      1.903830      9.022990
  N      -1.925559      4.218452      4.884876
  N      -1.864090      5.007374      4.083009
91
Coordinates from ORCA-job orca E -6254.234370253120
  N      -2.889439      4.282019      7.358000
  Mo     -2.094769      2.713033      6.410259
  N      -2.226364      1.320308      7.817228
  C      -1.164874      1.259464      8.806189
  C      -0.615137      2.665563      8.997764
  N      -0.442564      3.338185      7.663534
  C      -0.589307      4.820739      7.800156
  C      -2.050026      5.186163      8.094752
  C       0.864226      2.946321      7.033655
  C       0.690695      2.765478      5.525077
  N      -0.527305      2.018052      5.310617
  H      -2.209022      6.246589      7.806438
  H      -2.256869      5.138558      9.188222
  H      -0.280006      5.253770      6.840513
  H       0.088755      5.194419      8.588506
  H       1.574140      2.231866      5.128605
  H       0.669441      3.755208      5.022162
  H       1.148502      1.979511      7.470356
  H       1.635243      3.689479      7.297599
  H      -1.521357      0.886736      9.784885
  H      -0.359835      0.562062      8.483479
  H      -1.344071      3.257409      9.565407
  H       0.345629      2.678862      9.539381
  C      -4.306904      4.515737      7.283978
  C      -4.869205      3.582654      6.245891
  C      -6.008480      3.780164      5.559506
  C      -6.485087      2.888780      4.505399
  N      -5.583750      2.131737      3.871605
  C      -6.020410      1.397542      2.820802
  N      -7.241448      1.343467      2.316765
  C      -8.192391      2.066591      2.979454
  C      -9.535241      2.023612      2.528294
  C     -10.517010      2.717743      3.204818
  C     -10.201154      3.468558      4.361368
  C      -8.899660      3.537059      4.816151
  C      -7.867071      2.859444      4.125184
  C      -0.539905      0.940833      4.342246
  C      -1.482027     -0.122797      4.819966
  C      -2.452241     -0.813472      4.168984
  C      -2.907179     -0.709053      2.792359
  N      -2.393868      0.237545      1.992599
  C      -2.903240      0.357873      0.749059
  N      -3.868883     -0.351488      0.186764
  C      -4.394376     -1.351267      0.960076
  C      -5.432793     -2.150220      0.420145
  C      -5.981111     -3.175909      1.161287
  C      -5.500713     -3.450120      2.461924
  C      -4.497924     -2.678314      3.016729
  C      -3.930873     -1.598066      2.293083
  C      -3.283742      0.323567      7.922329
  C      -4.388333      0.860922      8.784432
  C      -5.718146      0.942467      8.536780
  C      -6.468383      0.425169      7.399093
  N      -5.838238     -0.307673      6.473045
  C      -6.559004     -0.773605      5.429414
  N      -7.859556     -0.659842      5.227531
  C      -8.542398      0.069874      6.159989
  C      -9.941862      0.223544      6.002876
  C     -10.665808      0.973401      6.903772
  C     -10.018248      1.599809      7.992233
  C      -8.656173      1.459336      8.174075
  C      -7.882620      0.683021      7.273697
  H      -4.548128      5.563841      7.001287
  H      -4.808040      4.339210      8.266445
  H      -4.363343      2.610754      6.063079
  H      -6.605299      4.670813      5.775377
  H      -5.255359      0.800975      2.316634
  H      -9.760021      1.418044      1.649146
  H     -11.551209      2.676144      2.857244
  H     -10.995873      3.983191      4.903600
  H      -8.667421      4.083888      5.731457
  H       0.472726      0.484015      4.273113
  H      -0.809287      1.276698      3.327579
  H      -1.337793     -0.374332      5.875332
  H      -2.988217     -1.541498      4.778894
  H      -2.459172      1.149434      0.135307
  H      -5.777589     -1.919817     -0.588913
  H      -6.786299     -3.782313      0.741869
  H      -5.929506     -4.274029      3.035024
  H      -4.140202     -2.916418      4.018437
  H      -2.900080     -0.631214      8.339510
  H      -3.675161      0.085778      6.924181
  H      -4.039885      1.337103      9.708523
  H      -6.312081      1.479551      9.276483
  H      -5.987773     -1.317893      4.669500
  H     -10.411768     -0.257336      5.144462
  H     -11.742630      1.094815      6.773294
  H     -10.600101      2.197094      8.696145
  H      -8.185961      1.948846      9.026362
  N      -1.944003      4.207211      4.893010
  N      -1.890601      4.993604      4.088686
91
Coordinates from ORCA-job orca E -6254.234963972353
  N      -2.903104      4.281116      7.377841
  Mo     -2.109242      2.712808      6.421280
  N      -2.225790      1.317455      7.826143
  C      -1.160466      1.258789      8.809312
  C      -0.614392      2.666348      8.999840
  N      -0.451649      3.340890      7.665890
  C      -0.600216      4.822267      7.805452
  C      -2.059301      5.185366      8.109403
  C       0.853881      2.955897      7.029033
  C       0.671946      2.774632      5.521551
  N      -0.544102      2.021508      5.318304
  H      -2.220514      6.245750      7.822263
  H      -2.258503      5.137968      9.203948
  H      -0.297462      5.256853      6.844794
  H       0.081976      5.196672      8.589446
  H       1.554891      2.245468      5.118319
  H       0.643805      3.765205      5.019885
  H       1.147495      1.991795      7.464612
  H       1.621803      3.703897      7.287510
  H      -1.511341      0.883682      9.788985
  H      -0.353507      0.565318      8.482779
  H      -1.340940      3.255478      9.573201
  H       0.349628      2.681024      9.534619
  C      -4.319129      4.523833      7.304730
  C      -4.884843      3.587112      6.272688
  C      -6.018111      3.787789      5.576984
  C      -6.493345      2.895182      4.524264
  N      -5.593546      2.125505      3.902785
  C      -6.027373      1.387734      2.853034
  N      -7.244252      1.338372      2.340823
  C      -8.195004      2.074754      2.990247
  C      -9.534284      2.036291      2.530798
  C     -10.515771      2.747863      3.190516
  C     -10.201978      3.512376      4.338344
  C      -8.904132      3.573581      4.803900
  C      -7.871895      2.876575      4.130961
  C      -0.570021      0.968377      4.325030
  C      -1.489086     -0.115122      4.802616
  C      -2.447752     -0.821441      4.151326
  C      -2.903112     -0.721288      2.776378
  N      -2.390750      0.223009      1.973345
  C      -2.893275      0.332825      0.727192
  N      -3.848235     -0.387578      0.162713
  C      -4.375998     -1.382526      0.939266
  C      -5.405388     -2.190745      0.397041
  C      -5.959486     -3.209105      1.143546
  C      -5.494929     -3.465443      2.452612
  C      -4.498295     -2.686366      3.007924
  C      -3.923444     -1.615139      2.277896
  C      -3.274118      0.311080      7.924556
  C      -4.378160      0.826041      8.798891
  C      -5.709334      0.901422      8.556118
  C      -6.458870      0.396418      7.412331
  N      -5.835204     -0.348981      6.491057
  C      -6.560230     -0.808517      5.446611
  N      -7.859190     -0.683197      5.244525
  C      -8.534172      0.062679      6.170183
  C      -9.930258      0.235978      6.007517
  C     -10.643707      1.008728      6.898083
  C      -9.988180      1.639418      7.979750
  C      -8.629283      1.478636      8.166640
  C      -7.867565      0.676984      7.278853
  H      -4.553946      5.570517      7.013325
  H      -4.821484      4.361018      8.288661
  H      -4.383541      2.612299      6.099167
  H      -6.609410      4.683758      5.784496
  H      -5.261627      0.783169      2.358997
  H      -9.757324      1.420606      1.658181
  H     -11.547405      2.710571      2.835373
  H     -10.996183      4.043753      4.865455
  H      -8.674256      4.129812      5.714389
  H       0.444937      0.524775      4.215221
  H      -0.868609      1.321943      3.324491
  H      -1.337628     -0.368715      5.855381
  H      -2.970135     -1.560335      4.758191
  H      -2.450244      1.124041      0.112941
  H      -5.739102     -1.972890     -0.618203
  H      -6.758297     -3.822404      0.722889
  H      -5.929307     -4.282563      3.030976
  H      -4.151950     -2.911414      4.016363
  H      -2.880692     -0.646613      8.325976
  H      -3.667850      0.080970      6.925224
  H      -4.031425      1.290126      9.729835
  H      -6.306396      1.420997      9.306259
  H      -5.995910     -1.363073      4.688513
  H     -10.405981     -0.244857      5.151978
  H     -11.717818      1.146303      6.762919
  H     -10.561741      2.256429      8.673484
  H      -8.149986      1.975316      9.010025
  N      -1.974239      4.207601      4.903111
  N      -1.935488      4.994141      4.097449
91
Coordinates from ORCA-job orca E -6254.235536869549
  N      -2.925825      4.273085      7.400897
  Mo     -2.123213      2.709699      6.435018
  N      -2.222371      1.308218      7.834613
  C      -1.151897      1.253986      8.811411
  C      -0.616358      2.665717      9.003557
  N      -0.465731      3.344788      7.669999
  C      -0.621810      4.824981      7.814775
  C      -2.080769      5.179269      8.128985
  C       0.840251      2.971392      7.026146
  C       0.652805      2.791038      5.519261
  N      -0.559258      2.029522      5.323688
  H      -2.248445      6.239619      7.845460
  H      -2.271558      5.128834      9.224893
  H      -0.327588      5.264032      6.853458
  H       0.063174      5.201513      8.595382
  H       1.537022      2.267602      5.111205
  H       0.617403      3.782191      5.018466
  H       1.144194      2.009008      7.458230
  H       1.603376      3.724948      7.282522
  H      -1.493666      0.872939      9.792226
  H      -0.340138      0.569003      8.478476
  H      -1.345038      3.247169      9.581970
  H       0.350393      2.686198      9.533341
  C      -4.341312      4.519699      7.325811
  C      -4.904420      3.578267      6.297411
  C      -6.029868      3.778523      5.589301
  C      -6.498579      2.880386      4.539168
  N      -5.598823      2.097855      3.934694
  C      -6.026454      1.356331      2.885493
  N      -7.236280      1.315615      2.357551
  C      -8.188216      2.065102      2.989872
  C      -9.521502      2.036284      2.514683
  C     -10.504340      2.760693      3.157799
  C     -10.197544      3.530051      4.302976
  C      -8.905338      3.582177      4.783713
  C      -7.871711      2.870705      4.128634
  C      -0.597186      1.002895      4.304367
  C      -1.495841     -0.099464      4.779855
  C      -2.446028     -0.819226      4.131011
  C      -2.903910     -0.725129      2.757551
  N      -2.389563      0.211936      1.946735
  C      -2.887181      0.309814      0.697109
  N      -3.834456     -0.420463      0.133820
  C      -4.367901     -1.404690      0.919625
  C      -5.390549     -2.221873      0.378922
  C      -5.951590     -3.228866      1.135122
  C      -5.503654     -3.462566      2.454192
  C      -4.511773     -2.676242      3.007055
  C      -3.926210     -1.619504      2.265289
  C      -3.258303      0.288660      7.923680
  C      -4.358902      0.777104      8.816631
  C      -5.691367      0.851644      8.581667
  C      -6.443479      0.365886      7.431288
  N      -5.831437     -0.391979      6.513257
  C      -6.563364     -0.834748      5.466395
  N      -7.858626     -0.682929      5.260283
  C      -8.521224      0.078528      6.181333
  C      -9.911985      0.283785      6.012246
  C     -10.608968      1.078370      6.896467
  C      -9.941589      1.699438      7.976315
  C      -8.587986      1.505773      8.169412
  C      -7.844040      0.680016      7.289933
  H      -4.574013      5.564678      7.027365
  H      -4.845396      4.366230      8.310062
  H      -4.407332      2.600314      6.134216
  H      -6.619724      4.677938      5.784177
  H      -5.260140      0.740777      2.406794
  H      -9.739359      1.417103      1.644102
  H     -11.531655      2.730440      2.790625
  H     -10.992796      4.072932      4.815822
  H      -8.680816      4.142134      5.692342
  H       0.418418      0.571625      4.156093
  H      -0.921463      1.376555      3.319027
  H      -1.337364     -0.352861      5.831787
  H      -2.956599     -1.565893      4.738432
  H      -2.443730      1.097221      0.078183
  H      -5.712856     -2.020436     -0.643793
  H      -6.744525     -3.850140      0.715803
  H      -5.945215     -4.269185      3.041121
  H      -4.177456     -2.884338      4.023206
  H      -2.852184     -0.672905      8.304177
  H      -3.657741      0.070863      6.923551
  H      -4.008947      1.225612      9.753819
  H      -6.288352      1.355046      9.342959
  H      -6.010504     -1.399523      4.708841
  H     -10.395849     -0.188388      5.156706
  H     -11.678787      1.242311      6.756185
  H     -10.502216      2.335133      8.663343
  H      -8.096644      1.997075      9.008713
  N      -2.006102      4.207195      4.919115
  N      -1.983949      4.994452      4.114131
91
Coordinates from ORCA-job orca E -6254.236109761491
  N      -2.944581      4.266874      7.426161
  Mo     -2.137789      2.710113      6.445634
  N      -2.221994      1.300280      7.837183
  C      -1.145914      1.247831      8.807301
  C      -0.619188      2.662511      9.004728
  N      -0.478651      3.348619      7.673606
  C      -0.639163      4.827243      7.826949
  C      -2.097544      5.174422      8.150766
  C       0.826437      2.985626      7.022203
  C       0.632420      2.809617      5.515523
  N      -0.575625      2.040555      5.326169
  H      -2.271211      6.234629      7.870654
  H      -2.280994      5.120450      9.247730
  H      -0.352218      5.272371      6.866178
  H       0.048326      5.202532      8.605854
  H       1.517187      2.291863      5.101373
  H       0.589044      3.801677      5.017135
  H       1.138508      2.022819      7.447462
  H       1.586547      3.742252      7.277666
  H      -1.478192      0.859459      9.788565
  H      -0.331084      0.571157      8.465369
  H      -1.350441      3.235242      9.588380
  H       0.349172      2.686073      9.531248
  C      -4.359142      4.519591      7.351288
  C      -4.921315      3.576498      6.325369
  C      -6.038504      3.777995      5.604981
  C      -6.500923      2.874127      4.557630
  N      -5.601705      2.072577      3.976225
  C      -6.022821      1.321484      2.931340
  N      -7.224911      1.287666      2.385377
  C      -8.177293      2.056587      2.994459
  C      -9.503979      2.035598      2.501150
  C     -10.487584      2.780177      3.121896
  C     -10.188292      3.563705      4.260335
  C      -8.902149      3.608127      4.757896
  C      -7.867685      2.874755      4.126557
  C      -0.626713      1.039560      4.282469
  C      -1.498918     -0.085764      4.754365
  C      -2.438777     -0.821354      4.109116
  C      -2.903524     -0.731804      2.737488
  N      -2.392967      0.203488      1.922677
  C      -2.893170      0.295472      0.673262
  N      -3.834627     -0.443639      0.112486
  C      -4.365817     -1.423824      0.903163
  C      -5.383616     -2.248851      0.365535
  C      -5.946269     -3.249181      1.129037
  C      -5.506350     -3.466928      2.453037
  C      -4.517189     -2.674869      3.001912
  C      -3.927096     -1.627332      2.251576
  C      -3.246971      0.269804      7.921940
  C      -4.342743      0.738687      8.830523
  C      -5.676265      0.811802      8.602158
  C      -6.430897      0.334474      7.448963
  N      -5.830668     -0.445970      6.541167
  C      -6.568332     -0.883180      5.494907
  N      -7.858943     -0.705917      5.282105
  C      -8.509865      0.079447      6.192725
  C      -9.895300      0.313241      6.016417
  C     -10.576725      1.134422      6.889340
  C      -9.899145      1.754104      7.963602
  C      -8.551093      1.531906      8.164222
  C      -7.823453      0.677960      7.297615
  H      -4.588037      5.564366      7.049124
  H      -4.863268      4.372217      8.336379
  H      -4.427096      2.595580      6.172642
  H      -6.627004      4.681011      5.786113
  H      -5.257409      0.689276      2.473012
  H      -9.716042      1.406468      1.635383
  H     -11.509891      2.756016      2.741122
  H     -10.984143      4.123396      4.754883
  H      -8.683430      4.179486      5.661166
  H       0.388816      0.624713      4.094748
  H      -0.978698      1.433282      3.313998
  H      -1.326961     -0.340332      5.804222
  H      -2.931255     -1.579745      4.716585
  H      -2.455491      1.083895      0.052406
  H      -5.701320     -2.058387     -0.660147
  H      -6.735273     -3.877190      0.712978
  H      -5.952215     -4.265859      3.047250
  H      -4.189948     -2.870154      4.022813
  H      -2.829204     -0.692366      8.287420
  H      -3.653869      0.060060      6.923141
  H      -3.987558      1.177348      9.770314
  H      -6.273116      1.305755      9.369642
  H      -6.026544     -1.468581      4.743972
  H     -10.386138     -0.157743      5.164127
  H     -11.641827      1.321797      6.743193
  H     -10.447559      2.411865      8.640188
  H      -8.049575      2.022226      8.998145
  N      -2.040875      4.209691      4.933129
  N      -2.036231      4.997627      4.129459
91
Coordinates from ORCA-job orca E -6254.236700405098
  N      -2.968729      4.261498      7.461552
  Mo     -2.164171      2.714296      6.455766
  N      -2.228062      1.291195      7.835548
  C      -1.139434      1.239194      8.792407
  C      -0.621796      2.656634      8.997448
  N      -0.496928      3.353978      7.670138
  C      -0.659962      4.830939      7.836586
  C      -2.115866      5.170401      8.178139
  C       0.803422      3.002136      7.003668
  C       0.594921      2.832759      5.498293
  N      -0.608586      2.054288      5.319664
  H      -2.297856      6.230333      7.902794
  H      -2.286303      5.111978      9.277034
  H      -0.384730      5.284476      6.876107
  H       0.034419      5.201730      8.611752
  H       1.478450      2.321486      5.073116
  H       0.539326      3.825590      5.003036
  H       1.124325      2.037091      7.417572
  H       1.562391      3.760592      7.256591
  H      -1.454857      0.840010      9.775160
  H      -0.323556      0.572862      8.433546
  H      -1.354454      3.217828      9.590155
  H       0.350120      2.682543      9.517810
  C      -4.382776      4.519278      7.396236
  C      -4.948022      3.578951      6.371805
  C      -6.056560      3.784027      5.639508
  C      -6.510938      2.881530      4.588211
  N      -5.610808      2.070744      4.023619
  C      -6.023356      1.323546      2.973691
  N      -7.216451      1.302850      2.405210
  C      -8.170570      2.080976      2.997519
  C      -9.489544      2.072866      2.481059
  C     -10.475687      2.824763      3.087280
  C     -10.187504      3.605160      4.230659
  C      -8.908010      3.638279      4.748160
  C      -7.870769      2.895447      4.133443
  C      -0.672966      1.072562      4.257667
  C      -1.506014     -0.080781      4.730395
  C      -2.429641     -0.840464      4.092771
  C      -2.899918     -0.760146      2.721330
  N      -2.393216      0.175170      1.904431
  C      -2.891380      0.259103      0.652177
  N      -3.821082     -0.494001      0.090745
  C      -4.348356     -1.472818      0.885158
  C      -5.354478     -2.311894      0.346953
  C      -5.917424     -3.307853      1.116485
  C      -5.490182     -3.506770      2.447267
  C      -4.510178     -2.703768      2.995733
  C      -3.917842     -1.662400      2.238686
  C      -3.238557      0.246968      7.922734
  C      -4.325516      0.697183      8.852395
  C      -5.659770      0.772886      8.631566
  C      -6.413924      0.309018      7.472185
  N      -5.821284     -0.485100      6.573741
  C      -6.558939     -0.908601      5.522633
  N      -7.841645     -0.702864      5.293379
  C      -8.485371      0.096315      6.194781
  C      -9.863262      0.360801      6.004300
  C     -10.533170      1.198763      6.868849
  C      -9.852513      1.804948      7.948249
  C      -8.512498      1.552633      8.163490
  C      -7.796864      0.680962      7.305946
  H      -4.609578      5.565269      7.096555
  H      -4.880299      4.371950      8.384389
  H      -4.457321      2.594767      6.226547
  H      -6.644175      4.689132      5.809548
  H      -5.259363      0.681334      2.530614
  H      -9.692790      1.447498      1.610556
  H     -11.492222      2.810277      2.689766
  H     -10.985439      4.171399      4.713230
  H      -8.697890      4.208566      5.653423
  H       0.342968      0.682397      4.028899
  H      -1.058655      1.479631      3.307470
  H      -1.314493     -0.330247      5.778306
  H      -2.897292     -1.612803      4.702171
  H      -2.460329      1.049988      0.029393
  H      -5.663628     -2.135081     -0.683287
  H      -6.697190     -3.947580      0.701133
  H      -5.940090     -4.299394      3.047725
  H      -4.194381     -2.883986      4.022741
  H      -2.803624     -0.712983      8.273845
  H      -3.658965      0.043248      6.928427
  H      -3.960815      1.123056      9.793983
  H      -6.256929      1.257522      9.404503
  H      -6.024502     -1.508150      4.780173
  H     -10.355734     -0.101019      5.148338
  H     -11.591643      1.411029      6.711732
  H     -10.391983      2.476719      8.617093
  H      -8.006424      2.030719      9.001366
  N      -2.095806      4.214921      4.948572
  N      -2.116350      5.004290      4.146017
91
Coordinates from ORCA-job orca E -6254.237351836935
  N      -2.986777      4.258386      7.495060
  Mo     -2.184153      2.720162      6.469479
  N      -2.227550      1.284740      7.838190
  C      -1.128482      1.235417      8.784435
  C      -0.619835      2.655615      8.994958
  N      -0.509595      3.362269      7.670748
  C      -0.676516      4.837863      7.847104
  C      -2.130186      5.169619      8.204659
  C       0.785456      3.019472      6.989268
  C       0.563473      2.854670      5.485253
  N      -0.636150      2.069147      5.316240
  H      -2.320547      6.229279      7.933866
  H      -2.289405      5.107086      9.305175
  H      -0.412437      5.297344      6.886057
  H       0.024426      5.205877      8.617940
  H       1.445673      2.347998      5.051105
  H       0.497792      3.847913      4.991927
  H       1.114029      2.053136      7.394694
  H       1.543247      3.780124      7.238641
  H      -1.429524      0.826480      9.767794
  H      -0.311827      0.578309      8.410854
  H      -1.353266      3.207545      9.595373
  H       0.355419      2.685538      9.509296
  C      -4.400440      4.520037      7.435017
  C      -4.968326      3.579434      6.413799
  C      -6.066977      3.785466      5.667287
  C      -6.510896      2.873758      4.618896
  N      -5.609391      2.039537      4.089139
  C      -6.008547      1.280721      3.042369
  N      -7.188958      1.267817      2.445676
  C      -8.145041      2.070054      3.002876
  C      -9.452624      2.072034      2.455110
  C     -10.441657      2.847689      3.027504
  C     -10.169433      3.641614      4.166559
  C      -8.900866      3.665424      4.712445
  C      -7.860095      2.899107      4.132471
  C      -0.718661      1.106855      4.237395
  C      -1.517615     -0.070940      4.707069
  C      -2.430217     -0.847394      4.075634
  C      -2.913794     -0.765578      2.707705
  N      -2.408967      0.169790      1.890192
  C      -2.915226      0.256337      0.640675
  N      -3.846416     -0.498131      0.083549
  C      -4.369142     -1.478628      0.879353
  C      -5.373607     -2.322013      0.343454
  C      -5.932872     -3.317929      1.114592
  C      -5.503917     -3.512267      2.445444
  C      -4.524749     -2.706350      2.991599
  C      -3.934655     -1.666666      2.231424
  C      -3.222975      0.225842      7.927648
  C      -4.305748      0.661116      8.869692
  C      -5.640866      0.733572      8.655037
  C      -6.395835      0.266980      7.496526
  N      -5.813248     -0.556455      6.617115
  C      -6.550047     -0.980108      5.565159
  N      -7.824481     -0.744231      5.317212
  C      -8.458456      0.085021      6.200000
  C      -9.827812      0.383072      5.991316
  C     -10.485108      1.251390      6.836048
  C      -9.801266      1.855871      7.914285
  C      -8.470205      1.572219      8.148221
  C      -7.767938      0.668821      7.310731
  H      -4.624237      5.567121      7.134909
  H      -4.894315      4.373546      8.425467
  H      -4.480734      2.591062      6.280557
  H      -6.652092      4.695993      5.818227
  H      -5.245542      0.617041      2.628218
  H      -9.643827      1.436915      1.588467
  H     -11.449141      2.841668      2.606315
  H     -10.970259      4.226486      4.623100
  H      -8.704023      4.247286      5.613681
  H       0.295780      0.738018      3.969956
  H      -1.135848      1.528572      3.306702
  H      -1.306705     -0.320446      5.751805
  H      -2.873708     -1.634511      4.684870
  H      -2.489419      1.049329      0.016391
  H      -5.683781     -2.148880     -0.687073
  H      -6.710449     -3.962016      0.700704
  H      -5.952453     -4.303314      3.047280
  H      -4.208316     -2.883304      4.018228
  H      -2.771529     -0.729373      8.268460
  H      -3.651865      0.024063      6.937038
  H      -3.934789      1.084836      9.809497
  H      -6.237340      1.218747      9.427871
  H      -6.021776     -1.606006      4.838784
  H     -10.322634     -0.078656      5.136523
  H     -11.536230      1.489678      6.664194
  H     -10.330383      2.552700      8.566685
  H      -7.960562      2.049080      8.984862
  N      -2.143339      4.220642      4.966832
  N      -2.186523      5.011423      4.164667
91
Coordinates from ORCA-job orca E -6254.238014839440
  N      -2.998947      4.262282      7.526586
  Mo     -2.204843      2.729349      6.484495
  N      -2.228973      1.283588      7.844513
  C      -1.118900      1.236100      8.779063
  C      -0.616331      2.657546      8.992628
  N      -0.519499      3.371087      7.671051
  C      -0.686557      4.845934      7.854199
  C      -2.136609      5.175395      8.227175
  C       0.768199      3.031976      6.973729
  C       0.530775      2.870180      5.471900
  N      -0.666930      2.080352      5.314164
  H      -2.332232      6.234813      7.958503
  H      -2.284770      5.112381      9.329287
  H      -0.432245      5.307858      6.891578
  H       0.022398      5.210951      8.619084
  H       1.410595      2.366603      5.028645
  H       0.456845      3.864165      4.980396
  H       1.102020      2.064868      7.373383
  H       1.526972      3.793520      7.217132
  H      -1.406474      0.818598      9.762666
  H      -0.303313      0.585961      8.390750
  H      -1.348071      3.204046      9.600394
  H       0.362453      2.690674      9.499801
  C      -4.412269      4.529876      7.471560
  C      -4.985354      3.587714      6.455330
  C      -6.072511      3.796085      5.692399
  C      -6.509252      2.872657      4.650544
  N      -5.610921      2.011911      4.156664
  C      -6.000728      1.237212      3.117716
  N      -7.169430      1.229754      2.498350
  C      -8.122816      2.059312      3.019230
  C      -9.419242      2.069633      2.445345
  C     -10.406090      2.873918      2.980811
  C     -10.143890      3.687972      4.108565
  C      -8.886404      3.703919      4.678781
  C      -7.847283      2.909356      4.136343
  C      -0.767827      1.133336      4.223228
  C      -1.534700     -0.067785      4.689428
  C      -2.433535     -0.860934      4.058318
  C      -2.925747     -0.774162      2.692034
  N      -2.423179      0.164368      1.877353
  C      -2.938932      0.258425      0.632068
  N      -3.874598     -0.492816      0.077841
  C      -4.391384     -1.479632      0.870636
  C      -5.397823     -2.322281      0.336295
  C      -5.952304     -3.322013      1.105273
  C      -5.515557     -3.521583      2.432645
  C      -4.534011     -2.716976      2.977301
  C      -3.949055     -1.673737      2.218352
  C      -3.210896      0.211733      7.939612
  C      -4.291990      0.638050      8.887955
  C      -5.627606      0.705974      8.676839
  C      -6.380044      0.230027      7.520753
  N      -5.803001     -0.624693      6.666125
  C      -6.535004     -1.058590      5.614393
  N      -7.801210     -0.801329      5.344971
  C      -8.428742      0.059840      6.203138
  C      -9.789142      0.381170      5.971555
  C     -10.440397      1.278068      6.790492
  C      -9.759631      1.889568      7.866853
  C      -8.437373      1.585355      8.123200
  C      -7.742206      0.652203      7.311549
  H      -4.631458      5.577651      7.169177
  H      -4.903575      4.386551      8.464541
  H      -4.503552      2.593651      6.338703
  H      -6.651293      4.714388      5.822900
  H      -5.241461      0.551429      2.731650
  H      -9.603239      1.419263      1.588338
  H     -11.404623      2.874953      2.539336
  H     -10.943548      4.295991      4.536592
  H      -8.698889      4.302217      5.571895
  H       0.245688      0.786020      3.920963
  H      -1.215336      1.565368      3.311057
  H      -1.310831     -0.318222      5.732874
  H      -2.855999     -1.663642      4.664418
  H      -2.518411      1.055664      0.009343
  H      -5.714032     -2.144973     -0.691196
  H      -6.731688     -3.965188      0.692264
  H      -5.961287     -4.314871      3.032809
  H      -4.212041     -2.897809      4.001016
  H      -2.744008     -0.736466      8.275337
  H      -3.645173      0.006052      6.951935
  H      -3.918006      1.064285      9.825641
  H      -6.224797      1.195076      9.447005
  H      -6.008388     -1.711664      4.909062
  H     -10.281822     -0.086652      5.118728
  H     -11.484256      1.533470      6.600382
  H     -10.283269      2.609581      8.498736
  H      -7.929617      2.069403      8.956939
  N      -2.187645      4.227102      4.983893
  N      -2.250770      5.016818      4.182251
91
Coordinates from ORCA-job orca E -6254.238699008829
  N      -3.011726      4.264051      7.561616
  Mo     -2.229261      2.738520      6.501811
  N      -2.228614      1.281029      7.851171
  C      -1.105391      1.234129      8.770881
  C      -0.608682      2.656354      8.987211
  N      -0.529611      3.378462      7.669278
  C      -0.697499      4.851990      7.861206
  C      -2.142964      5.177754      8.253836
  C       0.748747      3.044939      6.951694
  C       0.491421      2.887940      5.452991
  N      -0.704376      2.093293      5.308612
  H      -2.344509      6.237392      7.990403
  H      -2.277148      5.112163      9.357437
  H      -0.455931      5.317402      6.897241
  H       0.021509      5.214073      8.617901
  H       1.368350      2.389893      4.997591
  H       0.407734      3.883916      4.966291
  H       1.090358      2.078024      7.344490
  H       1.508273      3.808387      7.187070
  H      -1.377945      0.806089      9.754005
  H      -0.291477      0.591873      8.365499
  H      -1.336106      3.197113      9.605417
  H       0.375468      2.692954      9.483536
  C      -4.425231      4.535220      7.514154
  C      -5.004440      3.592175      6.501852
  C      -6.079608      3.805916      5.722773
  C      -6.510783      2.874634      4.685162
  N      -5.616505      1.991378      4.223493
  C      -5.997007      1.205493      3.189222
  N      -7.153272      1.205954      2.547817
  C      -8.103156      2.059909      3.034267
  C      -9.387255      2.080661      2.433775
  C     -10.371713      2.910636      2.932201
  C     -10.119329      3.740475      4.050103
  C      -8.874352      3.746229      4.646814
  C      -7.837066      2.925344      4.142425
  C      -0.821357      1.160427      4.207639
  C      -1.548129     -0.064504      4.673093
  C      -2.431211     -0.876344      4.042861
  C      -2.935008     -0.784642      2.681682
  N      -2.437933      0.156051      1.867341
  C      -2.964336      0.254496      0.627492
  N      -3.904224     -0.494515      0.078034
  C      -4.413030     -1.486799      0.870024
  C      -5.421664     -2.329169      0.339755
  C      -5.970485     -3.331498      1.109763
  C      -5.524146     -3.534917      2.434106
  C      -4.538867     -2.731365      2.973883
  C      -3.960732     -1.684850      2.213174
  C      -3.197619      0.197068      7.949743
  C      -4.278109      0.614254      8.903196
  C      -5.614303      0.678575      8.695137
  C      -6.362980      0.194922      7.540922
  N      -5.789098     -0.685829      6.709764
  C      -6.515205     -1.129162      5.657878
  N      -7.773921     -0.856162      5.367646
  C      -8.395982      0.033123      6.200768
  C      -9.746315      0.376258      5.942229
  C     -10.393419      1.300113      6.733733
  C      -9.717985      1.917367      7.810988
  C      -8.405326      1.593670      8.092591
  C      -7.715366      0.634042      7.307635
  H      -4.642093      5.583154      7.211884
  H      -4.912992      4.392950      8.509139
  H      -4.530445      2.592963      6.401682
  H      -6.648502      4.732455      5.836385
  H      -5.241527      0.500421      2.829125
  H      -9.564391      1.417849      1.585370
  H     -11.360476      2.920110      2.469180
  H     -10.917325      4.370492      4.448710
  H      -8.696794      4.357697      5.533263
  H       0.190232      0.841018      3.869419
  H      -1.304421      1.595156      3.315628
  H      -1.309445     -0.316009      5.712074
  H      -2.827857     -1.695232      4.643450
  H      -2.548537      1.053554      0.003877
  H      -5.745412     -2.148826     -0.685435
  H      -6.752863     -3.972989      0.699594
  H      -5.965960     -4.330387      3.035088
  H      -4.208629     -2.915293      3.994842
  H      -2.716468     -0.745715      8.278661
  H      -3.635011     -0.011200      6.963309
  H      -3.903514      1.041940      9.840228
  H      -6.212097      1.169864      9.464176
  H      -5.988768     -1.804766      4.973415
  H     -10.235138     -0.096672      5.089706
  H     -11.429427      1.571290      6.522569
  H     -10.237569      2.658033      8.422170
  H      -7.901814      2.084830      8.924948
  N      -2.236933      4.237311      5.006079
  N      -2.319822      5.028205      4.206697
91
Coordinates from ORCA-job orca E -6254.239446025674
  N      -3.020584      4.270637      7.598384
  Mo     -2.257418      2.750200      6.521998
  N      -2.230171      1.281844      7.861365
  C      -1.092585      1.235526      8.763844
  C      -0.599580      2.657970      8.980343
  N      -0.539185      3.386068      7.665384
  C      -0.703630      4.858564      7.864730
  C      -2.142620      5.184267      8.279565
  C       0.727120      3.054373      6.925975
  C       0.446086      2.901548      5.431387
  N      -0.749510      2.103742      5.302202
  H      -2.348323      6.244031      8.020269
  H      -2.260349      5.118183      9.384713
  H      -0.475934      5.326014      6.898526
  H       0.027488      5.217741      8.610898
  H       1.318892      2.409267      4.962037
  H       0.353312      3.900098      4.950694
  H       1.075439      2.087595      7.312763
  H       1.489771      3.818126      7.150363
  H      -1.349567      0.797937      9.746499
  H      -0.281544      0.600194      8.341237
  H      -1.320850      3.195053      9.609232
  H       0.390230      2.697679      9.464769
  C      -4.434144      4.546819      7.560383
  C      -5.020381      3.602167      6.552678
  C      -6.080986      3.824661      5.754927
  C      -6.510741      2.887334      4.722948
  N      -5.625351      1.980970      4.291023
  C      -6.001652      1.184022      3.263939
  N      -7.146416      1.193496      2.604748
  C      -8.088270      2.072425      3.058632
  C      -9.360465      2.103954      2.436595
  C     -10.338293      2.959900      2.899440
  C     -10.089334      3.807117      4.003894
  C      -8.856312      3.802529      4.622965
  C      -7.825514      2.953747      4.155634
  C      -0.877364      1.179912      4.194918
  C      -1.562934     -0.069474      4.661551
  C      -2.427022     -0.901052      4.028181
  C      -2.940454     -0.802620      2.671930
  N      -2.456525      0.146388      1.860017
  C      -2.996848      0.251278      0.627049
  N      -3.941160     -0.495221      0.082454
  C      -4.435745     -1.498006      0.870973
  C      -5.446977     -2.339635      0.345516
  C      -5.979637     -3.353041      1.112020
  C      -5.512990     -3.569210      2.427437
  C      -4.525612     -2.765168      2.962814
  C      -3.965275     -1.706396      2.205584
  C      -3.187392      0.187259      7.964387
  C      -4.270739      0.600937      8.915528
  C      -5.606851      0.661122      8.706131
  C      -6.348906      0.165233      7.554212
  N      -5.773687     -0.737691      6.747619
  C      -6.492968     -1.195867      5.697291
  N      -7.744930     -0.915800      5.386036
  C      -8.364504     -0.000857      6.191116
  C      -9.704675      0.355868      5.902590
  C     -10.351873      1.303869      6.664462
  C      -9.685433      1.930847      7.743025
  C      -8.382172      1.594917      8.051722
  C      -7.692905      0.612947      7.295604
  H      -4.649584      5.594518      7.258104
  H      -4.917241      4.406418      8.557938
  H      -4.559274      2.595721      6.473719
  H      -6.635579      4.761283      5.852386
  H      -5.253112      0.460191      2.928197
  H      -9.535630      1.427268      1.599273
  H     -11.317876      2.977309      2.418699
  H     -10.881734      4.460218      4.373418
  H      -8.683779      4.429119      5.499668
  H       0.133078      0.890770      3.824936
  H      -1.395255      1.610411      3.320164
  H      -1.314483     -0.322817      5.697719
  H      -2.799437     -1.737237      4.620911
  H      -2.590281      1.056065      0.005092
  H      -5.786446     -2.149833     -0.673041
  H      -6.764768     -3.992789      0.704672
  H      -5.940915     -4.375053      3.024347
  H      -4.177860     -2.958355      3.976383
  H      -2.694718     -0.748595      8.293670
  H      -3.622374     -0.029940      6.978166
  H      -3.900055      1.034221      9.851649
  H      -6.206667      1.156333      9.471719
  H      -5.965644     -1.891451      5.035271
  H     -10.186598     -0.125662      5.050592
  H     -11.379919      1.585095      6.430180
  H     -10.204504      2.688829      8.332645
  H      -7.886424      2.096218      8.883092
  N      -2.287213      4.249499      5.029853
  N      -2.388603      5.040485      4.232985
91
Coordinates from ORCA-job orca E -6254.240260448092
  N      -3.032166      4.274930      7.641311
  Mo     -2.288647      2.760996      6.546291
  N      -2.230459      1.280835      7.873289
  C      -1.077622      1.235173      8.756118
  C      -0.588464      2.658263      8.972815
  N      -0.550898      3.393075      7.661079
  C      -0.712007      4.864055      7.870543
  C      -2.143779      5.187379      8.311249
  C       0.702433      3.066445      6.897446
  C       0.394102      2.920803      5.407642
  N      -0.800611      2.118472      5.294700
  H      -2.354569      6.247411      8.058521
  H      -2.242238      5.118343      9.417784
  H      -0.501180      5.336138      6.902848
  H       0.032059      5.220428      8.605094
  H       1.261333      2.436821      4.919978
  H       0.290172      3.922878      4.936473
  H       1.059906      2.099449      7.274498
  H       1.467842      3.830730      7.110496
  H      -1.317095      0.788470      9.739006
  H      -0.269430      0.607774      8.316333
  H      -1.302572      3.189340      9.614708
  H       0.407995      2.700721      9.443404
  C      -4.445524      4.555019      7.614684
  C      -5.036464      3.608801      6.610518
  C      -6.081750      3.840755      5.795088
  C      -6.509280      2.899168      4.767788
  N      -5.632220      1.971386      4.366531
  C      -6.001990      1.166173      3.344150
  N      -7.132170      1.187455      2.661364
  C      -8.066723      2.090103      3.081642
  C      -9.323917      2.136236      2.432213
  C     -10.296408      3.015966      2.859647
  C     -10.054584      3.875387      3.955236
  C      -8.835792      3.857227      4.601736
  C      -7.810612      2.982094      4.171719
  C      -0.940047      1.207322      4.178103
  C      -1.578608     -0.066650      4.644497
  C      -2.423471     -0.917913      4.010863
  C      -2.952242     -0.817665      2.662215
  N      -2.488235      0.138359      1.847537
  C      -3.046605      0.244449      0.622353
  N      -3.994075     -0.504067      0.087204
  C      -4.470220     -1.513354      0.878032
  C      -5.485680     -2.356191      0.364526
  C      -6.000082     -3.376767      1.135044
  C      -5.510232     -3.599197      2.441536
  C      -4.518453     -2.793343      2.964703
  C      -3.977171     -1.726475      2.204176
  C      -3.176459      0.176642      7.979295
  C      -4.262309      0.583949      8.929311
  C      -5.597974      0.637879      8.715647
  C      -6.329053      0.128554      7.563373
  N      -5.750601     -0.796988      6.785820
  C      -6.460157     -1.270296      5.736094
  N      -7.702846     -0.981256      5.397645
  C      -8.322067     -0.039089      6.168952
  C      -9.649049      0.333471      5.843682
  C     -10.295744      1.307479      6.572210
  C      -9.641361      1.942436      7.653941
  C      -8.351049      1.590965      7.996527
  C      -7.662257      0.586026      7.273283
  H      -4.661643      5.602013      7.313036
  H      -4.922064      4.416464      8.614850
  H      -4.590989      2.594528      6.551895
  H      -6.620755      4.787353      5.876418
  H      -5.259666      0.424929      3.035593
  H      -9.494055      1.449951      1.602053
  H     -11.264750      3.043865      2.357185
  H     -10.842055      4.549663      4.295126
  H      -8.669813      4.495376      5.470587
  H       0.064059      0.952035      3.770907
  H      -1.496487      1.632715      3.324709
  H      -1.314592     -0.322623      5.674557
  H      -2.766613     -1.769753      4.596363
  H      -2.652444      1.053131     -0.001772
  H      -5.843984     -2.161472     -0.647173
  H      -6.789517     -4.016290      0.737287
  H      -5.923842     -4.411634      3.041302
  H      -4.152074     -2.989758      3.972173
  H      -2.673404     -0.753662      8.309303
  H      -3.609072     -0.049086      6.993507
  H      -3.896773      1.024042      9.864217
  H      -6.202452      1.136329      9.475496
  H      -5.933906     -1.990613      5.101063
  H     -10.121580     -0.157084      4.991927
  H     -11.313006      1.601532      6.309744
  H     -10.160135      2.718494      8.218816
  H      -7.865139      2.099157      8.829295
  N      -2.341919      4.264665      5.060350
  N      -2.461799      5.057332      4.268227
91
Coordinates from ORCA-job orca E -6254.241195020421
  N      -3.033193      4.290866      7.687394
  Mo     -2.323278      2.777449      6.575839
  N      -2.233931      1.288393      7.892258
  C      -1.065724      1.242040      8.753453
  C      -0.572973      2.664437      8.964988
  N      -0.558921      3.401553      7.654693
  C      -0.707758      4.871740      7.872313
  C      -2.129077      5.199591      8.342016
  C       0.677051      3.073678      6.864391
  C       0.334165      2.935225      5.381157
  N      -0.862706      2.131868      5.288289
  H      -2.341179      6.259907      8.093945
  H      -2.205839      5.129467      9.449782
  H      -0.515102      5.346924      6.902220
  H       0.052024      5.224180      8.592428
  H       1.191216      2.457930      4.870143
  H       0.220229      3.941499      4.921801
  H       1.042007      2.105532      7.230916
  H       1.449316      3.835368      7.061047
  H      -1.288928      0.791651      9.738463
  H      -0.263092      0.617735      8.299738
  H      -1.275676      3.193295      9.620789
  H       0.430918      2.705328      9.419938
  C      -4.444844      4.579800      7.674290
  C      -5.041138      3.630698      6.675503
  C      -6.068092      3.874011      5.840120
  C      -6.498830      2.926263      4.823433
  N      -5.636027      1.971240      4.457788
  C      -6.005208      1.153253      3.446990
  N      -7.120288      1.186497      2.740544
  C      -8.041505      2.119141      3.122486
  C      -9.283176      2.180655      2.447265
  C     -10.245457      3.088771      2.837209
  C     -10.004967      3.965476      3.918663
  C      -8.799656      3.933750      4.589883
  C      -7.785953      3.026398      4.199800
  C      -1.010844      1.229563      4.164653
  C      -1.595300     -0.070742      4.630217
  C      -2.420948     -0.939706      3.995726
  C      -2.975981     -0.832560      2.659872
  N      -2.549725      0.142299      1.846853
  C      -3.141773      0.258861      0.637495
  N      -4.096527     -0.489883      0.116559
  C      -4.537768     -1.515563      0.904171
  C      -5.561846     -2.357355      0.407552
  C      -6.038323     -3.398883      1.175323
  C      -5.501403     -3.643585      2.459782
  C      -4.502186     -2.837102      2.966069
  C      -3.999840     -1.747884      2.210892
  C      -3.171981      0.177888      8.003175
  C      -4.266048      0.583383      8.943058
  C      -5.600428      0.620215      8.715278
  C      -6.308537      0.078293      7.562999
  N      -5.715080     -0.872976      6.830725
  C      -6.404205     -1.377339      5.782826
  N      -7.634349     -1.090049      5.401273
  C      -8.264755     -0.116375      6.119901
  C      -9.574836      0.262967      5.739239
  C     -10.229928      1.267733      6.417617
  C      -9.601124      1.922823      7.502399
  C      -8.328113      1.564205      7.896650
  C      -7.629598      0.533433      7.224028
  H      -4.660188      5.625692      7.370387
  H      -4.912604      4.447881      8.678442
  H      -4.621270      2.604912      6.642458
  H      -6.584704      4.834071      5.900592
  H      -5.273852      0.390255      3.172174
  H      -9.452489      1.481171      1.628025
  H     -11.202586      3.127280      2.315057
  H     -10.783055      4.664513      4.226596
  H      -8.633751      4.588264      5.445018
  H      -0.016568      1.012069      3.718749
  H      -1.609091      1.643375      3.333430
  H      -1.309823     -0.334221      5.650857
  H      -2.729193     -1.810349      4.570190
  H      -2.770612      1.078878      0.015204
  H      -5.956900     -2.146052     -0.587770
  H      -6.834828     -4.037108      0.791422
  H      -5.883912     -4.474367      3.056445
  H      -4.098326     -3.048666      3.957153
  H      -2.662609     -0.745676      8.345438
  H      -3.595933     -0.064959      7.017636
  H      -3.913601      1.041354      9.873924
  H      -6.217446      1.125886      9.459608
  H      -5.873918     -2.126707      5.189052
  H     -10.027839     -0.247951      4.889480
  H     -11.232816      1.568727      6.112604
  H     -10.127246      2.719972      8.028752
  H      -7.862718      2.087391      8.731547
  N      -2.394662      4.285922      5.093187
  N      -2.530263      5.079757      4.305591
91
Coordinates from ORCA-job orca E -6254.241997715932
  N      -3.035762      4.304515      7.736464
  Mo     -2.355526      2.793545      6.605969
  N      -2.237709      1.293946      7.908150
  C      -1.055783      1.244058      8.748224
  C      -0.560159      2.665833      8.959054
  N      -0.568450      3.408652      7.652429
  C      -0.705800      4.877622      7.881032
  C      -2.117192      5.208354      8.378261
  C       0.651490      3.082160      6.837599
  C       0.277092      2.954363      5.360944
  N      -0.921311      2.149874      5.285015
  H      -2.330648      6.269503      8.136613
  H      -2.174073      5.134419      9.486663
  H      -0.530008      5.358394      6.910481
  H       0.068148      5.224314      8.588564
  H       1.123355      2.483775      4.826748
  H       0.153861      3.965329      4.914693
  H       1.023143      2.111807      7.190876
  H       1.429589      3.841026      7.021496
  H      -1.262748      0.788561      9.734690
  H      -0.258473      0.623899      8.279946
  H      -1.252503      3.189699      9.629314
  H       0.450649      2.703482      9.398852
  C      -4.445567      4.602475      7.733112
  C      -5.043290      3.650701      6.737812
  C      -6.051032      3.904403      5.881403
  C      -6.480937      2.949673      4.873511
  N      -5.629529      1.970700      4.545095
  C      -5.995440      1.138055      3.546430
  N      -7.094536      1.177732      2.814747
  C      -8.004349      2.136972      3.156372
  C      -9.229860      2.207809      2.453353
  C     -10.183602      3.140560      2.804717
  C      -9.948417      4.035385      3.872207
  C      -8.757326      3.995585      4.569294
  C      -7.752989      3.060767      4.220111
  C      -1.083444      1.264058      4.149454
  C      -1.613792     -0.062008      4.606712
  C      -2.421555     -0.947255      3.973615
  C      -3.007441     -0.838695      2.652044
  N      -2.619505      0.150998      1.836516
  C      -3.247591      0.273868      0.645166
  N      -4.210014     -0.477909      0.145359
  C      -4.614515     -1.517028      0.933985
  C      -5.646815     -2.361411      0.460737
  C      -6.082433     -3.421273      1.228482
  C      -5.496890     -3.681453      2.488301
  C      -4.491413     -2.870629      2.972624
  C      -4.029813     -1.762531      2.219160
  C      -3.168186      0.177300      8.018126
  C      -4.269401      0.574101      8.953176
  C      -5.602172      0.594643      8.713103
  C      -6.288596      0.029549      7.557766
  N      -5.687337     -0.947143      6.868024
  C      -6.360567     -1.475965      5.822121
  N      -7.576591     -1.185183      5.400989
  C      -8.212225     -0.182219      6.071706
  C      -9.504396      0.206838      5.643088
  C     -10.160434      1.239926      6.277090
  C      -9.551128      1.911921      7.362064
  C      -8.296313      1.543908      7.801685
  C      -7.595875      0.487201      7.174898
  H      -4.658515      5.647307      7.425304
  H      -4.907454      4.478419      8.740141
  H      -4.648330      2.614199      6.729434
  H      -6.548037      4.875281      5.920179
  H      -5.275019      0.353850      3.308868
  H      -9.395221      1.494825      1.644913
  H     -11.128956      3.185674      2.261673
  H     -10.718879      4.755801      4.147512
  H      -8.593879      4.667000      5.410806
  H      -0.103197      1.083783      3.661630
  H      -1.722819      1.673180      3.346261
  H      -1.303775     -0.332745      5.617648
  H      -2.693352     -1.834257      4.540042
  H      -2.902335      1.103971      0.021530
  H      -6.079574     -2.138647     -0.516292
  H      -6.884690     -4.062236      0.863101
  H      -5.845982     -4.527782      3.084144
  H      -4.049734     -3.092585      3.945469
  H      -2.653584     -0.742190      8.366210
  H      -3.585020     -0.075387      7.032016
  H      -3.928247      1.043158      9.882131
  H      -6.232067      1.101155      9.445895
  H      -5.832323     -2.254154      5.266448
  H      -9.942671     -0.320693      4.796081
  H     -11.148059      1.549811      5.934926
  H     -10.078768      2.730044      7.852429
  H      -7.844696      2.079349      8.636217
  N      -2.445371      4.310036      5.129084
  N      -2.595155      5.106853      4.347526
91
Coordinates from ORCA-job orca E -6254.242838890882
  N      -3.041764      4.311118      7.781946
  Mo     -2.383025      2.806396      6.629613
  N      -2.243553      1.294342      7.914708
  C      -1.050668      1.238397      8.736556
  C      -0.553434      2.659637      8.952231
  N      -0.580072      3.412340      7.651939
  C      -0.708600      4.879383      7.895126
  C      -2.112263      5.209885      8.415579
  C       0.627065      3.090490      6.816819
  C       0.228058      2.976378      5.345502
  N      -0.970508      2.170037      5.281349
  H      -2.327683      6.272316      8.182027
  H      -2.153468      5.129216      9.523998
  H      -0.546221      5.368771      6.926626
  H       0.076210      5.218223      8.594160
  H       1.064965      2.512871      4.790969
  H       0.095871      3.991867      4.912281
  H       1.003379      2.116737      7.155173
  H       1.409506      3.846383      6.993827
  H      -1.242905      0.776629      9.723342
  H      -0.258388      0.622924      8.253970
  H      -1.238467      3.175404      9.635903
  H       0.462658      2.693220      9.379616
  C      -4.450490      4.615960      7.780985
  C      -5.041749      3.661263      6.784672
  C      -6.027066      3.922471      5.902946
  C      -6.439103      2.957979      4.897436
  N      -5.585338      1.966531      4.609585
  C      -5.935493      1.111203      3.624672
  N      -7.017519      1.139495      2.865320
  C      -7.927695      2.113599      3.162108
  C      -9.137928      2.171404      2.430542
  C     -10.094312      3.116079      2.740086
  C      -9.877583      4.035915      3.791341
  C      -8.701331      4.007942      4.515291
  C      -7.694572      3.060650      4.209770
  C      -1.148395      1.303938      4.132883
  C      -1.627697     -0.046112      4.574288
  C      -2.418268     -0.944806      3.941918
  C      -3.033922     -0.833223      2.634026
  N      -2.677367      0.172430      1.821734
  C      -3.335529      0.304794      0.646835
  N      -4.304154     -0.448832      0.164024
  C      -4.678066     -1.502702      0.949541
  C      -5.716221     -2.349309      0.493862
  C      -6.116783     -3.427867      1.256372
  C      -5.491655     -3.703564      2.493539
  C      -4.482545     -2.888959      2.962548
  C      -4.054716     -1.763044      2.214281
  C      -3.167824      0.171964      8.019053
  C      -4.271496      0.560124      8.956615
  C      -5.604955      0.572732      8.717666
  C      -6.290859      0.001482      7.563148
  N      -5.699713     -0.992024      6.890956
  C      -6.379985     -1.527872      5.852076
  N      -7.589043     -1.226532      5.420113
  C      -8.213649     -0.204465      6.071625
  C      -9.496133      0.201366      5.629031
  C     -10.136191      1.254767      6.246216
  C      -9.520025      1.933300      7.322980
  C      -8.274009      1.551111      7.774896
  C      -7.590359      0.471351      7.168020
  H      -4.660309      5.660017      7.468475
  H      -4.912004      4.497864      8.788610
  H      -4.668659      2.616373      6.801955
  H      -6.514890      4.897990      5.919700
  H      -5.219160      0.311658      3.430474
  H      -9.289067      1.440151      1.634984
  H     -11.027867      3.151763      2.175555
  H     -10.649751      4.766607      4.032329
  H      -8.550637      4.700010      5.342620
  H      -0.184124      1.159226      3.604898
  H      -1.825039      1.714247      3.360820
  H      -1.291565     -0.323254      5.575362
  H      -2.653759     -1.847647      4.499730
  H      -3.013643      1.146843      0.025237
  H      -6.179476     -2.114454     -0.465970
  H      -6.922116     -4.072530      0.904553
  H      -5.812082     -4.564792      3.084712
  H      -4.011162     -3.121968      3.918576
  H      -2.650609     -0.745898      8.367887
  H      -3.580695     -0.083954      7.032229
  H      -3.931657      1.030322      9.884989
  H      -6.237744      1.075020      9.451301
  H      -5.865715     -2.322095      5.310010
  H      -9.938379     -0.329945      4.785886
  H     -11.115163      1.578409      5.892472
  H     -10.034576      2.769876      7.795794
  H      -7.812411      2.093804      8.599880
  N      -2.491503      4.333093      5.161479
  N      -2.653039      5.134339      4.386751
91
Coordinates from ORCA-job orca E -6254.243926626573
  N      -3.044202      4.323523      7.837907
  Mo     -2.415669      2.825807      6.656305
  N      -2.252694      1.297389      7.919369
  C      -1.044780      1.231254      8.717741
  C      -0.541956      2.650596      8.939848
  N      -0.591109      3.418664      7.649131
  C      -0.708226      4.884129      7.910836
  C      -2.100996      5.215272      8.461050
  C       0.597889      3.100642      6.786717
  C       0.167850      3.004758      5.323655
  N      -1.032113      2.198498      5.274104
  H      -2.318039      6.279952      8.238806
  H      -2.122943      5.125453      9.569357
  H      -0.561854      5.383701      6.944881
  H       0.091734      5.210722      8.598688
  H       0.991295      2.547923      4.743802
  H       0.025093      4.025632      4.906317
  H       0.976385      2.121424      7.106862
  H       1.386634      3.851752      6.956307
  H      -1.218416      0.762035      9.704855
  H      -0.262428      0.618226      8.215667
  H      -1.214805      3.158105      9.641768
  H       0.482098      2.677431      9.348928
  C      -4.452088      4.633081      7.841932
  C      -5.036248      3.675082      6.844233
  C      -5.998395      3.938037      5.935348
  C      -6.379606      2.956562      4.933246
  N      -5.513585      1.960042      4.693523
  C      -5.836848      1.075842      3.725102
  N      -6.896877      1.081516      2.932776
  C      -7.813864      2.064800      3.174938
  C      -9.001210      2.103891      2.402284
  C      -9.964177      3.058953      2.656421
  C      -9.780061      4.005874      3.690698
  C      -8.626987      3.994712      4.452844
  C      -7.612982      3.039113      4.203549
  C      -1.230103      1.348072      4.116969
  C      -1.657031     -0.024737      4.538970
  C      -2.429880     -0.937036      3.907430
  C      -3.077102     -0.822162      2.612205
  N      -2.750118      0.201896      1.809082
  C      -3.440311      0.347396      0.653183
  N      -4.419300     -0.405253      0.189943
  C      -4.761946     -1.477611      0.968941
  C      -5.809114     -2.324126      0.532992
  C      -6.174410     -3.422960      1.286617
  C      -5.506053     -3.718305      2.497138
  C      -4.490996     -2.901714      2.950512
  C      -4.097138     -1.757119      2.208294
  C      -3.170635      0.168556      8.022520
  C      -4.279880      0.550187      8.957932
  C      -5.611976      0.554669      8.717711
  C      -6.296378     -0.022777      7.563933
  N      -5.713861     -1.032254      6.907747
  C      -6.398184     -1.576516      5.874186
  N      -7.600641     -1.262034      5.431252
  C      -8.214685     -0.219687      6.065249
  C      -9.488424      0.201980      5.611667
  C     -10.115317      1.271409      6.213944
  C      -9.495482      1.955042      7.284128
  C      -8.257236      1.560821      7.747497
  C      -7.588326      0.460397      7.157425
  H      -4.658923      5.677008      7.525081
  H      -4.911880      4.518365      8.850840
  H      -4.687952      2.621673      6.888885
  H      -6.483114      4.915186      5.926065
  H      -5.119640      0.267263      3.579756
  H      -9.127768      1.353098      1.620818
  H     -10.879603      3.081374      2.061102
  H     -10.557719      4.745406      3.887586
  H      -8.499703      4.710438      5.265251
  H      -0.283018      1.240648      3.549057
  H      -1.944443      1.759623      3.380218
  H      -1.291500     -0.305754      5.530945
  H      -2.626359     -1.856076      4.457617
  H      -3.143568      1.202980      0.035689
  H      -6.305631     -2.073144     -0.405673
  H      -6.985365     -4.069744      0.949607
  H      -5.797567     -4.595235      3.081276
  H      -3.989684     -3.148844      3.887861
  H      -2.649644     -0.743552      8.377339
  H      -3.578483     -0.094084      7.035319
  H      -3.942212      1.023862      9.885533
  H      -6.249703      1.053799      9.449863
  H      -5.893364     -2.389684      5.346377
  H      -9.933020     -0.331386      4.770963
  H     -11.086920      1.606494      5.849628
  H      -9.998868      2.807810      7.740602
  H      -7.786338      2.110780      8.562199
  N      -2.550940      4.366174      5.202428
  N      -2.728210      5.173577      4.438062
91
Coordinates from ORCA-job orca E -6254.245139338802
  N      -3.041284      4.344094      7.896552
  Mo     -2.453685      2.849797      6.681119
  N      -2.271802      1.306807      7.922761
  C      -1.046963      1.226938      8.694946
  C      -0.531128      2.642220      8.921344
  N      -0.603002      3.426711      7.641303
  C      -0.703082      4.890961      7.921676
  C      -2.080825      5.226505      8.505468
  C       0.563650      3.108668      6.748895
  C       0.099612      3.029880      5.296502
  N      -1.103977      2.227371      5.266467
  H      -2.297229      6.294178      8.295712
  H      -2.080746      5.126962      9.613367
  H      -0.573564      5.399706      6.957923
  H       0.115201      5.201259      8.595668
  H       0.905728      2.574239      4.691583
  H      -0.052157      4.054801      4.891767
  H       0.940576      2.122656      7.050717
  H       1.360694      3.853029      6.909226
  H      -1.200578      0.752970      9.683266
  H      -0.280706      0.611352      8.171220
  H      -1.186620      3.144717      9.643557
  H       0.502140      2.657788      9.307494
  C      -4.446705      4.662264      7.907349
  C      -5.025944      3.700543      6.910520
  C      -5.965048      3.961129      5.973575
  C      -6.304512      2.960871      4.974420
  N      -5.417614      1.967694      4.782652
  C      -5.706875      1.053263      3.831420
  N      -6.742248      1.029604      3.006052
  C      -7.672054      2.013876      3.192900
  C      -8.834504      2.025680      2.378690
  C      -9.810729      2.980365      2.579325
  C      -9.669094      3.951644      3.598187
  C      -8.541492      3.965244      4.398307
  C      -7.513877      3.012921      4.203447
  C      -1.332173      1.391073      4.104449
  C      -1.706096     -0.003341      4.506503
  C      -2.459067     -0.931902      3.876470
  C      -3.132902     -0.813889      2.590427
  N      -2.826210      0.228424      1.803356
  C      -3.541229      0.388162      0.664360
  N      -4.524888     -0.366197      0.211497
  C      -4.841594     -1.458143      0.977502
  C      -5.889712     -2.308698      0.548252
  C      -6.226721     -3.426398      1.286567
  C      -5.529037     -3.736728      2.477202
  C      -4.513921     -2.916134      2.926345
  C      -4.147759     -1.754690      2.195400
  C      -3.184423      0.172462      8.029509
  C      -4.297189      0.545911      8.965859
  C      -5.628172      0.537338      8.727327
  C      -6.311135     -0.046088      7.574020
  N      -5.734471     -1.066501      6.928469
  C      -6.418103     -1.615766      5.895474
  N      -7.615275     -1.290753      5.444341
  C      -8.221946     -0.233904      6.067374
  C      -9.487303      0.204377      5.604130
  C     -10.102099      1.288612      6.191581
  C      -9.480304      1.976674      7.256246
  C      -8.249756      1.570200      7.731270
  C      -7.595392      0.450270      7.156739
  H      -4.646140      5.706321      7.583298
  H      -4.904342      4.553448      8.918486
  H      -4.704523      2.639629      6.983325
  H      -6.452026      4.937113      5.934865
  H      -4.982612      0.244143      3.729661
  H      -8.929158      1.256967      1.610525
  H     -10.706469      2.982969      1.953601
  H     -10.457543      4.690690      3.753520
  H      -8.446025      4.702350      5.197612
  H      -0.406456      1.321406      3.493209
  H      -2.085242      1.805920      3.409649
  H      -1.307172     -0.282092      5.489286
  H      -2.613399     -1.867264      4.418635
  H      -3.265774      1.257030      0.053488
  H      -6.408133     -2.044711     -0.374802
  H      -7.036802     -4.078828      0.954645
  H      -5.797657     -4.627580      3.049794
  H      -3.994787     -3.175228      3.849471
  H      -2.656928     -0.732468      8.388351
  H      -3.592907     -0.094463      7.043759
  H      -3.958257      1.022266      9.892530
  H      -6.273518      1.028279      9.459063
  H      -5.913930     -2.437883      5.375900
  H      -9.933324     -0.328903      4.764122
  H     -11.067036      1.634590      5.817143
  H      -9.972789      2.845143      7.696555
  H      -7.769158      2.126339      8.535361
  N      -2.623260      4.401388      5.242307
  N      -2.817156      5.214932      4.488147
91
Coordinates from ORCA-job orca E -6254.246409452129
  N      -3.034197      4.366317      7.953852
  Mo     -2.497568      2.875031      6.702980
  N      -2.297198      1.317320      7.922850
  C      -1.053986      1.222770      8.665510
  C      -0.522509      2.632062      8.895068
  N      -0.617272      3.432784      7.626769
  C      -0.695230      4.895317      7.925088
  C      -2.054100      5.237820      8.545550
  C       0.523537      3.113385      6.702565
  C       0.022922      3.053350      5.262821
  N      -1.184310      2.255113      5.254652
  H      -2.268212      6.308679      8.348898
  H      -2.028834      5.129088      9.652367
  H      -0.583612      5.412285      6.963352
  H       0.143505      5.187485      8.581912
  H       0.810639      2.599210      4.632932
  H      -0.137073      4.082362      4.871260
  H       0.897129      2.120187      6.985187
  H       1.330416      3.849486      6.851980
  H      -1.186718      0.742485      9.653645
  H      -0.306598      0.604517      8.117738
  H      -1.157517      3.131355      9.637984
  H       0.519890      2.635067      9.256257
  C      -4.436312      4.696382      7.978006
  C      -5.017156      3.733933      6.983177
  C      -5.933907      3.996761      6.020849
  C      -6.245431      2.986519      5.025212
  N      -5.351426      1.989369      4.870698
  C      -5.622742      1.054041      3.934877
  N      -6.638279      1.015802      3.086407
  C      -7.567818      2.008150      3.229052
  C      -8.707983      2.009837      2.382903
  C      -9.684579      2.972441      2.540675
  C      -9.568197      3.960302      3.546439
  C      -8.462683      3.983009      4.375670
  C      -7.434261      3.024871      4.223896
  C      -1.440757      1.426692      4.092494
  C      -1.749612      0.012591      4.481499
  C      -2.476929     -0.938137      3.854817
  C      -3.178520     -0.819826      2.580585
  N      -2.899117      0.240651      1.810134
  C      -3.638817      0.406628      0.688486
  N      -4.619721     -0.357710      0.243466
  C      -4.904068     -1.468587      0.995460
  C      -5.946218     -2.330934      0.572025
  C      -6.251557     -3.464886      1.297431
  C      -5.526640     -3.780568      2.470433
  C      -4.516118     -2.949761      2.914185
  C      -4.182380     -1.773175      2.192974
  C      -3.204340      0.178067      8.037564
  C      -4.320351      0.544368      8.973898
  C      -5.649201      0.519768      8.732421
  C      -6.319912     -0.074613      7.576518
  N      -5.739791     -1.107764      6.952460
  C      -6.409401     -1.669113      5.915464
  N      -7.597232     -1.339136      5.441871
  C      -8.204928     -0.266766      6.042093
  C      -9.458239      0.179132      5.553771
  C     -10.072718      1.276663      6.115614
  C      -9.463649      1.974974      7.180249
  C      -8.244802      1.563522      7.681353
  C      -7.593427      0.427279      7.133212
  H      -4.627712      5.741153      7.649765
  H      -4.888451      4.592323      8.992719
  H      -4.722213      2.666317      7.082905
  H      -6.416754      4.973935      5.958591
  H      -4.901416      0.238539      3.865582
  H      -8.784079      1.228378      1.626039
  H     -10.563049      2.967692      1.891437
  H     -10.357311      4.705395      3.668866
  H      -8.386775      4.735650      5.163584
  H      -0.540522      1.399897      3.439471
  H      -2.234642      1.832311      3.439864
  H      -1.315458     -0.256440      5.453605
  H      -2.583075     -1.887909      4.386786
  H      -3.390778      1.289394      0.085984
  H      -6.485748     -2.061274     -0.336849
  H      -7.056515     -4.127645      0.970543
  H      -5.770979     -4.683320      3.033740
  H      -3.979627     -3.213163      3.825036
  H      -2.667604     -0.718110      8.400572
  H      -3.614630     -0.095251      7.054360
  H      -3.983144      1.026529      9.898965
  H      -6.306512      1.003840      9.459009
  H      -5.897729     -2.503238      5.416449
  H      -9.894872     -0.359955      4.712519
  H     -11.028190      1.626750      5.720097
  H      -9.954241      2.856398      7.597746
  H      -7.768053      2.128530      8.481012
  N      -2.701474      4.436901      5.281273
  N      -2.912181      5.256695      4.538328
91
Coordinates from ORCA-job orca E -6254.248065652424
  N      -3.012067      4.403657      8.016128
  Mo     -2.551820      2.907700      6.726114
  N      -2.339920      1.338707      7.926850
  C      -1.076296      1.222032      8.634313
  C      -0.515573      2.620416      8.861168
  N      -0.633179      3.436211      7.604477
  C      -0.673815      4.897062      7.919076
  C      -2.003970      5.256327      8.583657
  C       0.474030      3.107810      6.644511
  C      -0.068889      3.068777      5.221430
  N      -1.285288      2.283546      5.241229
  H      -2.208220      6.332028      8.402382
  H      -1.946652      5.137300      9.688413
  H      -0.581377      5.420388      6.958438
  H       0.190986      5.164351      8.552268
  H       0.693551      2.608827      4.565329
  H      -0.230914      4.101788      4.841309
  H       0.837622      2.104955      6.906684
  H       1.296023      3.829791      6.779600
  H      -1.187984      0.738518      9.623174
  H      -0.356924      0.593915      8.061173
  H      -1.120022      3.123412      9.627045
  H       0.537106      2.602255      9.190571
  C      -4.406115      4.755120      8.062970
  C      -4.998173      3.794980      7.074099
  C      -5.896659      4.057972      6.090206
  C      -6.167255      3.043072      5.096700
  N      -5.248904      2.059396      4.971635
  C      -5.487891      1.106272      4.045706
  N      -6.484032      1.042153      3.176305
  C      -7.429557      2.025977      3.281332
  C      -8.548195      2.004302      2.406835
  C      -9.539218      2.958987      2.528914
  C      -9.460602      3.960986      3.525158
  C      -8.376590      4.005135      4.381101
  C      -7.335374      3.056113      4.265939
  C      -1.576694      1.460851      4.081121
  C      -1.823946      0.029286      4.461120
  C      -2.525857     -0.944902      3.837596
  C      -3.248575     -0.828447      2.570978
  N      -2.995743      0.246942      1.815365
  C      -3.751106      0.408105      0.704086
  N      -4.717418     -0.375890      0.257851
  C      -4.970295     -1.500243      0.997251
  C      -5.995096     -2.383660      0.570943
  C      -6.271397     -3.527801      1.285809
  C      -5.532446     -3.834107      2.451437
  C      -4.536181     -2.985434      2.896699
  C      -4.233161     -1.799619      2.184048
  C      -3.248040      0.201050      8.055308
  C      -4.362870      0.556660      8.996913
  C      -5.688993      0.506927      8.749210
  C      -6.334113     -0.101396      7.583837
  N      -5.737118     -1.142359      6.986614
  C      -6.376095     -1.722500      5.939197
  N      -7.553677     -1.401934      5.435002
  C      -8.176768     -0.320795      6.006874
  C      -9.417312      0.119440      5.482215
  C     -10.045409      1.226776      6.009723
  C      -9.462966      1.944954      7.076160
  C      -8.256893      1.540924      7.613442
  C      -7.595636      0.393090      7.101747
  H      -4.583837      5.801215      7.729215
  H      -4.847915      4.660521      9.083492
  H      -4.740784      2.719256      7.192796
  H      -6.379573      5.033720      6.005308
  H      -4.752068      0.301410      3.998418
  H      -8.594844      1.212743      1.657366
  H     -10.400876      2.936798      1.858279
  H     -10.260712      4.698965      3.620464
  H      -8.330016      4.769867      5.160557
  H      -0.705119      1.473843      3.388457
  H      -2.408441      1.856463      3.471531
  H      -1.355214     -0.225723      5.422911
  H      -2.587608     -1.905952      4.360223
  H      -3.531512      1.302395      0.110003
  H      -6.545768     -2.119840     -0.332131
  H      -7.062091     -4.207827      0.957923
  H      -5.755190     -4.744010      3.007056
  H      -3.992055     -3.242591      3.802170
  H      -2.701075     -0.689031      8.416963
  H      -3.668689     -0.073971      7.077533
  H      -4.028310      1.043265      9.920827
  H      -6.366041      0.975258      9.468592
  H      -5.842370     -2.561911      5.467855
  H      -9.832756     -0.430786      4.637218
  H     -10.990686      1.571262      5.585000
  H      -9.961618      2.836450      7.463524
  H      -7.794057      2.120859      8.410468
  N      -2.785896      4.483642      5.326000
  N      -3.008761      5.312135      4.596757
91
Coordinates from ORCA-job orca E -6254.250144891598
  N      -2.991169      4.435263      8.079192
  Mo     -2.614634      2.939193      6.749976
  N      -2.384429      1.355965      7.927261
  C      -1.098632      1.219106      8.593822
  C      -0.512134      2.605311      8.818071
  N      -0.656681      3.436650      7.575155
  C      -0.657911      4.893991      7.905529
  C      -1.954359      5.268204      8.619412
  C       0.412299      3.102499      6.575483
  C      -0.176324      3.085698      5.171616
  N      -1.399626      2.311716      5.223936
  H      -2.148995      6.348679      8.456502
  H      -1.858932      5.137918      9.720344
  H      -0.588471      5.423782      6.946379
  H       0.234403      5.136645      8.509338
  H       0.561461      2.622647      4.490322
  H      -0.340163      4.122747      4.803512
  H       0.767753      2.091158      6.815603
  H       1.248782      3.810694      6.693158
  H      -1.186797      0.724939      9.579016
  H      -0.408179      0.587598      7.989971
  H      -1.083545      3.110969      9.607238
  H       0.549910      2.569285      9.113246
  C      -4.376842      4.807976      8.160820
  C      -4.989488      3.854017      7.180022
  C      -5.873524      4.123925      6.179462
  C      -6.105459      3.114559      5.184269
  N      -5.163959      2.144428      5.083528
  C      -5.365190      1.183276      4.157176
  N      -6.339593      1.100351      3.267383
  C      -7.303028      2.071632      3.340122
  C      -8.395769      2.031383      2.437242
  C      -9.401959      2.975354      2.524146
  C      -9.363652      3.985161      3.514763
  C      -8.305888      4.047621      4.400666
  C      -7.250741      3.109823      4.321415
  C      -1.725384      1.488698      4.070949
  C      -1.902596      0.042963      4.452413
  C      -2.574134     -0.958842      3.832431
  C      -3.312620     -0.845364      2.573968
  N      -3.086963      0.238381      1.826463
  C      -3.853397      0.386099      0.722988
  N      -4.799505     -0.419984      0.271130
  C      -5.024533     -1.550802      1.002613
  C      -6.029158     -2.456414      0.573249
  C      -6.284104     -3.602702      1.286390
  C      -5.540514     -3.890243      2.452411
  C      -4.559244     -3.022889      2.897254
  C      -4.280071     -1.834685      2.186337
  C      -3.289205      0.217385      8.068419
  C      -4.398997      0.562037      9.017260
  C      -5.722130      0.493598      8.762819
  C      -6.336972     -0.125716      7.586490
  N      -5.721507     -1.175765      7.022235
  C      -6.323887     -1.774368      5.962383
  N      -7.485586     -1.463550      5.418121
  C      -8.123905     -0.374063      5.954956
  C      -9.345737      0.057117      5.382463
  C      -9.993605      1.171675      5.871573
  C      -9.447502      1.907100      6.948350
  C      -8.258967      1.511852      7.529554
  C      -7.581524      0.358217      7.057482
  H      -4.544447      5.856085      7.828434
  H      -4.802533      4.718349      9.188694
  H      -4.766140      2.771476      7.313387
  H      -6.352314      5.100124      6.080508
  H      -4.611099      0.393163      4.122898
  H      -8.410651      1.234060      1.691391
  H     -10.243333      2.938237      1.829959
  H     -10.174565      4.714162      3.583035
  H      -8.293452      4.819009      5.174855
  H      -0.885940      1.540458      3.341742
  H      -2.594785      1.861783      3.502063
  H      -1.403429     -0.193804      5.402723
  H      -2.591869     -1.926915      4.343277
  H      -3.658850      1.287441      0.133956
  H      -6.585140     -2.206225     -0.329946
  H      -7.060558     -4.298550      0.957801
  H      -5.749622     -4.801619      3.007127
  H      -4.011374     -3.265555      3.803049
  H      -2.729025     -0.667713      8.420322
  H      -3.720832     -0.056883      7.095727
  H      -4.068188      1.051388      9.940746
  H      -6.415388      0.951938      9.473666
  H      -5.768459     -2.619376      5.528218
  H      -9.731857     -0.503306      4.529313
  H     -10.924170      1.509170      5.410738
  H      -9.958811      2.804311      7.305828
  H      -7.820705      2.104659      8.332263
  N      -2.876416      4.530190      5.376474
  N      -3.112681      5.368620      4.663508
91
Coordinates from ORCA-job orca E -6254.252287339120
  N      -2.964646      4.464736      8.132196
  Mo     -2.681588      2.969585      6.766779
  N      -2.435350      1.373743      7.920120
  C      -1.131251      1.213035      8.546653
  C      -0.515103      2.584640      8.769798
  N      -0.683006      3.431186      7.541919
  C      -0.637947      4.883059      7.886635
  C      -1.898847      5.274292      8.646433
  C       0.348681      3.092331      6.507297
  C      -0.283434      3.100037      5.122873
  N      -1.514028      2.338825      5.206748
  H      -2.080597      6.359303      8.502220
  H      -1.766720      5.130639      9.741924
  H      -0.589162      5.420952      6.930481
  H       0.279211      5.100238      8.461583
  H       0.429460      2.634022      4.418151
  H      -0.444975      4.141448      4.768035
  H       0.696150      2.072586      6.722888
  H       1.200146      3.785161      6.606908
  H      -1.201609      0.706061      9.526116
  H      -0.468986      0.579425      7.914902
  H      -1.051377      3.091927      9.581773
  H       0.554239      2.525872      9.032544
  C      -4.339113      4.865073      8.254167
  C      -4.976963      3.918858      7.283439
  C      -5.855867      4.194395      6.273867
  C      -6.037111      3.193185      5.278752
  N      -5.050645      2.258569      5.195722
  C      -5.192541      1.294186      4.263581
  N      -6.143379      1.174835      3.356250
  C      -7.146214      2.109620      3.401712
  C      -8.208428      2.032358      2.471763
  C      -9.248183      2.944773      2.523073
  C      -9.269892      3.959200      3.507731
  C      -8.242512      4.057404      4.425090
  C      -7.156865      3.150966      4.382606
  C      -1.860608      1.512824      4.060005
  C      -1.968155      0.055814      4.446007
  C      -2.613117     -0.968848      3.827914
  C      -3.370524     -0.854119      2.583161
  N      -3.181258      0.238373      1.840620
  C      -3.964733      0.375521      0.749742
  N      -4.893436     -0.448426      0.295463
  C      -5.087987     -1.583805      1.019027
  C      -6.077675     -2.506540      0.591649
  C      -6.308982     -3.655851      1.303823
  C      -5.554586     -3.929050      2.464926
  C      -4.583286     -3.047402      2.903800
  C      -4.327567     -1.856393      2.195279
  C      -3.342356      0.238556      8.069919
  C      -4.444032      0.569335      9.030301
  C      -5.766413      0.482458      8.771003
  C      -6.351073     -0.143105      7.581519
  N      -5.716984     -1.197325      7.046429
  C      -6.285684     -1.808995      5.975274
  N      -7.431350     -1.511083      5.393315
  C      -8.086487     -0.419880      5.897973
  C      -9.292158     -0.003384      5.282466
  C      -9.961600      1.113452      5.741658
  C      -9.449154      1.862957      6.829192
  C      -8.275449      1.479424      7.447471
  C      -7.579618      0.326510      7.009529
  H      -4.496219      5.915626      7.924811
  H      -4.744017      4.783371      9.290674
  H      -4.791233      2.830651      7.425763
  H      -6.337961      5.168023      6.166290
  H      -4.400292      0.543193      4.234648
  H      -8.173862      1.233014      1.727662
  H     -10.065599      2.878732      1.804563
  H     -10.103664      4.663650      3.547437
  H      -8.277268      4.834072      5.191312
  H      -1.051421      1.598045      3.303780
  H      -2.760478      1.856843      3.521631
  H      -1.442846     -0.168125      5.383128
  H      -2.592521     -1.942433      4.322270
  H      -3.796826      1.285539      0.168978
  H      -6.644674     -2.267433     -0.307794
  H      -7.075360     -4.363330      0.978087
  H      -5.749183     -4.842721      3.019181
  H      -4.024687     -3.277042      3.806818
  H      -2.774557     -0.648782      8.406803
  H      -3.784715     -0.030856      7.101642
  H      -4.117971      1.055164      9.956048
  H      -6.472393      0.925766      9.478432
  H      -5.716820     -2.659136      5.577961
  H      -9.649921     -0.572622      4.421576
  H     -10.879345      1.441771      5.250509
  H      -9.974431      2.761125      7.163049
  H      -7.861350      2.082228      8.257499
  N      -2.953722      4.581298      5.420016
  N      -3.193787      5.431403      4.724584
91
Coordinates from ORCA-job orca E -6254.254401035304
  N      -2.950558      4.461351      8.158367
  Mo     -2.731478      2.986067      6.759566
  N      -2.473494      1.370784      7.882151
  C      -1.159553      1.187782      8.479490
  C      -0.526229      2.545596      8.720806
  N      -0.704934      3.412515      7.512787
  C      -0.626159      4.854909      7.877692
  C      -1.866390      5.250792      8.665641
  C       0.307705      3.082382      6.459953
  C      -0.346768      3.121382      5.086810
  N      -1.580174      2.364566      5.180126
  H      -2.039783      6.338695      8.542041
  H      -1.712571      5.089280      9.755024
  H      -0.587323      5.407462      6.929975
  H       0.303610      5.051640      8.437983
  H       0.356354      2.663329      4.368146
  H      -0.503476      4.168474      4.750394
  H       0.650687      2.056494      6.647813
  H       1.169452      3.763268      6.555277
  H      -1.222513      0.656110      9.445625
  H      -0.512046      0.565835      7.822011
  H      -1.042482      3.042359      9.551051
  H       0.545397      2.468828      8.966869
  C      -4.315479      4.886096      8.313018
  C      -4.975067      3.953237      7.343759
  C      -5.853189      4.248037      6.332468
  C      -6.033899      3.260084      5.340331
  N      -5.053363      2.308768      5.267199
  C      -5.204745      1.339850      4.342273
  N      -6.150030      1.224920      3.435126
  C      -7.141615      2.172615      3.460483
  C      -8.189924      2.100636      2.524810
  C      -9.221914      3.023972      2.553420
  C      -9.240742      4.044793      3.526152
  C      -8.223626      4.140451      4.454112
  C      -7.146233      3.221945      4.433117
  C      -1.908267      1.532604      4.033498
  C      -1.927813      0.071024      4.426104
  C      -2.539571     -0.977733      3.812530
  C      -3.330458     -0.870819      2.598610
  N      -3.190716      0.221079      1.844388
  C      -4.004493      0.342306      0.776908
  N      -4.923294     -0.497776      0.339955
  C      -5.079432     -1.631071      1.068937
  C      -6.062310     -2.569144      0.667188
  C      -6.261301     -3.716506      1.394403
  C      -5.480390     -3.971185      2.541190
  C      -4.511696     -3.075547      2.950408
  C      -4.286432     -1.885650      2.230221
  C      -3.383636      0.238432      8.029774
  C      -4.475346      0.565044      9.001731
  C      -5.800821      0.475602      8.747232
  C      -6.371864     -0.155366      7.555483
  N      -5.731608     -1.216040      7.046787
  C      -6.288194     -1.834617      5.974904
  N      -7.419653     -1.543904      5.365591
  C      -8.078623     -0.448799      5.840950
  C      -9.270932     -0.043611      5.193996
  C      -9.949967      1.078037      5.631829
  C      -9.455376      1.834786      6.726344
  C      -8.292973      1.457273      7.368422
  C      -7.587544      0.305637      6.955258
  H      -4.465980      5.940364      7.999884
  H      -4.701974      4.801304      9.354458
  H      -4.814308      2.863790      7.495296
  H      -6.327648      5.224561      6.235271
  H      -4.425174      0.579425      4.319234
  H      -8.155461      1.293337      1.789061
  H     -10.030444      2.959505      1.827280
  H     -10.065488      4.757704      3.549354
  H      -8.258286      4.923834      5.208836
  H      -1.123570      1.656358      3.264674
  H      -2.831530      1.826201      3.508425
  H      -1.384166     -0.138075      5.349719
  H      -2.477574     -1.952045      4.288541
  H      -3.865319      1.255384      0.194443
  H      -6.653919     -2.345759     -0.221067
  H      -7.025096     -4.432857      1.089449
  H      -5.654223     -4.883970      3.107191
  H      -3.926883     -3.285055      3.844256
  H      -2.816367     -0.656603      8.353084
  H      -3.829383     -0.025802      7.061603
  H      -4.150173      1.046251      9.929015
  H      -6.504296      0.917586      9.456874
  H      -5.726252     -2.692664      5.604571
  H      -9.612622     -0.621006      4.331777
  H     -10.857921      1.401196      5.121681
  H      -9.987090      2.733015      7.045816
  H      -7.896098      2.066345      8.183876
  N      -2.987154      4.624285      5.439257
  N      -3.220182      5.488604      4.761189
91
Coordinates from ORCA-job orca E -6254.258126853880
  N      -2.939848      4.463414      8.196825
  Mo     -2.772386      3.010682      6.764393
  N      -2.502880      1.373257      7.855219
  C      -1.180797      1.171985      8.426511
  C      -0.533091      2.520157      8.684022
  N      -0.721868      3.409907      7.495980
  C      -0.618621      4.844254      7.881694
  C      -1.841780      5.238504      8.697099
  C       0.273858      3.089968      6.424993
  C      -0.402298      3.162265      5.065409
  N      -1.637901      2.409392      5.165774
  H      -2.010541      6.328922      8.592017
  H      -1.671250      5.059275      9.780890
  H      -0.589967      5.412615      6.943039
  H       0.323357      5.020572      8.428347
  H       0.284606      2.714059      4.325490
  H      -0.559147      4.216023      4.751751
  H       0.610029      2.057758      6.586928
  H       1.143947      3.760507      6.520017
  H      -1.231363      0.622637      9.383831
  H      -0.548005      0.558070      7.747102
  H      -1.031920      3.003798      9.532521
  H       0.541612      2.428217      8.911406
  C      -4.300178      4.897000      8.367363
  C      -4.958003      3.967931      7.392592
  C      -5.823679      4.258996      6.361647
  C      -5.966525      3.262880      5.370095
  N      -4.971468      2.313697      5.330076
  C      -5.109577      1.320993      4.424348
  N      -6.038026      1.183156      3.503202
  C      -7.029132      2.131482      3.483803
  C      -8.052660      2.036325      2.522430
  C      -9.087681      2.955906      2.506175
  C      -9.134009      3.992358      3.459083
  C      -8.140297      4.108808      4.412658
  C      -7.058087      3.197022      4.435613
  C      -1.970613      1.578800      4.021063
  C      -1.918539      0.113120      4.390330
  C      -2.505615     -0.947356      3.779126
  C      -3.343406     -0.845223      2.598487
  N      -3.251758      0.259670      1.855189
  C      -4.107459      0.384662      0.822243
  N      -5.027197     -0.464137      0.408555
  C      -5.135534     -1.612504      1.128118
  C      -6.116516     -2.561834      0.752774
  C      -6.267340     -3.723125      1.474521
  C      -5.439341     -3.980874      2.588382
  C      -4.471501     -3.074552      2.970531
  C      -4.293759     -1.870833      2.254895
  C      -3.408354      0.234079      7.990494
  C      -4.506320      0.554247      8.960438
  C      -5.831654      0.458142      8.713029
  C      -6.408949     -0.172445      7.524338
  N      -5.781869     -1.241980      7.020547
  C      -6.350852     -1.857193      5.953511
  N      -7.479366     -1.553394      5.344228
  C      -8.125430     -0.448176      5.816747
  C      -9.315191     -0.028625      5.173926
  C      -9.979237      1.099883      5.615007
  C      -9.473744      1.850381      6.706885
  C      -8.313077      1.461332      7.344800
  C      -7.621569      0.301490      6.927930
  H      -4.447633      5.952614      8.059686
  H      -4.676937      4.808805      9.410846
  H      -4.819159      2.879619      7.564350
  H      -6.306401      5.229552      6.253068
  H      -4.336088      0.554876      4.429917
  H      -7.996923      1.214662      1.804345
  H      -9.877986      2.874128      1.760516
  H      -9.961402      4.702179      3.448913
  H      -8.198156      4.906177      5.151690
  H      -1.223758      1.740086      3.222595
  H      -2.922343      1.845936      3.537829
  H      -1.342572     -0.086409      5.296356
  H      -2.395098     -1.927313      4.236198
  H      -4.007261      1.310076      0.249292
  H      -6.745705     -2.336102     -0.109004
  H      -7.029656     -4.448590      1.190364
  H      -5.575746     -4.903831      3.150758
  H      -3.850320     -3.284350      3.839373
  H      -2.841842     -0.659816      8.317326
  H      -3.843550     -0.030885      7.017992
  H      -4.183347      1.035639      9.888581
  H      -6.532451      0.894778      9.428556
  H      -5.803593     -2.725523      5.584563
  H      -9.666300     -0.601168      4.313238
  H     -10.885897      1.432510      5.108600
  H      -9.994824      2.753727      7.027374
  H      -7.905200      2.064803      8.158092
  N      -3.028247      4.676926      5.474487
  N      -3.261682      5.555123      4.815216
91
Coordinates from ORCA-job orca E -6254.261040816200
  N      -2.970864      4.416510      8.175881
  Mo     -2.760025      3.004516      6.714984
  N      -2.490132      1.339404      7.775635
  C      -1.182118      1.136641      8.372141
  C      -0.554397      2.489091      8.682719
  N      -0.718769      3.408698      7.512467
  C      -0.640525      4.835332      7.930532
  C      -1.893246      5.194024      8.720987
  C       0.318606      3.127621      6.469862
  C      -0.321094      3.232651      5.097542
  N      -1.552558      2.470257      5.146788
  H      -2.075684      6.284215      8.636625
  H      -1.751681      4.988802      9.804501
  H      -0.594204      5.428768      7.007627
  H       0.285713      5.010192      8.506833
  H       0.381103      2.810052      4.356590
  H      -0.476788      4.294270      4.811304
  H       0.663927      2.095420      6.613525
  H       1.179139      3.803463      6.608370
  H      -1.245943      0.558824      9.314360
  H      -0.522171      0.550316      7.692017
  H      -1.080890      2.940422      9.533257
  H       0.516851      2.399857      8.936635
  C      -4.334669      4.830473      8.332679
  C      -4.966599      3.909320      7.336300
  C      -5.836960      4.196728      6.301138
  C      -5.920904      3.166829      5.318714
  N      -4.877306      2.254649      5.332913
  C      -4.980796      1.210925      4.467978
  N      -5.897969      0.996504      3.539738
  C      -6.913124      1.915900      3.454202
  C      -7.912028      1.737197      2.465449
  C      -8.970605      2.622384      2.379353
  C      -9.066303      3.696570      3.285343
  C      -8.095307      3.885047      4.264405
  C      -6.988084      3.015667      4.355125
  C      -1.843941      1.654357      3.987474
  C      -1.792111      0.189209      4.319444
  C      -2.393748     -0.851310      3.709945
  C      -3.291945     -0.753814      2.569031
  N      -3.247703      0.363565      1.831242
  C      -4.162973      0.511404      0.849365
  N      -5.103201     -0.334293      0.482594
  C      -5.161805     -1.503598      1.201887
  C      -6.159076     -2.452995      0.880317
  C      -6.258571     -3.630496      1.605198
  C      -5.364987     -3.905456      2.670196
  C      -4.383041     -2.998514      3.001068
  C      -4.252880     -1.777537      2.278015
  C      -3.389162      0.184745      7.852197
  C      -4.504699      0.490421      8.815292
  C      -5.837609      0.418735      8.609860
  C      -6.503911     -0.165472      7.445210
  N      -5.960131     -1.236680      6.860654
  C      -6.641262     -1.778573      5.821191
  N      -7.799153     -1.399683      5.310247
  C      -8.367395     -0.287389      5.874454
  C      -9.587215      0.216926      5.355129
  C     -10.158294      1.344674      5.903910
  C      -9.540720      2.014485      6.980535
  C      -8.350313      1.551099      7.504443
  C      -7.741872      0.384990      6.970851
  H      -4.490860      5.891631      8.045787
  H      -4.715492      4.717256      9.370361
  H      -4.827406      2.823582      7.495971
  H      -6.354068      5.151862      6.191299
  H      -4.194817      0.460417      4.515167
  H      -7.816343      0.886692      1.789208
  H      -9.742235      2.482472      1.614862
  H      -9.914247      4.382331      3.222448
  H      -8.190691      4.712778      4.971455
  H      -1.102652      1.828227      3.180869
  H      -2.799509      1.925074      3.520240
  H      -1.200668     -0.032059      5.216199
  H      -2.264769     -1.840803      4.157723
  H      -4.101447      1.451281      0.286097
  H      -6.839205     -2.215011      0.060222
  H      -7.035012     -4.355918      1.360526
  H      -5.458103     -4.837120      3.237901
  H      -3.710020     -3.218907      3.831511
  H      -2.842730     -0.719988      8.177772
  H      -3.791458     -0.062572      6.860725
  H      -4.172816      0.950721      9.751955
  H      -6.493004      0.850091      9.369237
  H      -6.178071     -2.661296      5.366671
  H     -10.032054     -0.296042      4.503438
  H     -11.089379      1.737748      5.489641
  H      -9.999292      2.917082      7.384874
  H      -7.856895      2.088191      8.312518
  N      -2.961428      4.712842      5.455347
  N      -3.171054      5.607674      4.813264
91
Coordinates from ORCA-job orca E -6254.265519805342
  N      -2.949042      4.421694      8.209961
  Mo     -2.819003      3.028718      6.712273
  N      -2.548455      1.343046      7.739442
  C      -1.229266      1.112172      8.301507
  C      -0.574321      2.446683      8.627500
  N      -0.745400      3.389514      7.479483
  C      -0.625339      4.805820      7.919290
  C      -1.849654      5.173539      8.743374
  C       0.266440      3.112699      6.414634
  C      -0.398907      3.255166      5.058824
  N      -1.637240      2.503928      5.119349
  H      -2.018375      6.267293      8.681917
  H      -1.686660      4.947217      9.819545
  H      -0.588434      5.413962      7.005761
  H       0.317222      4.951358      8.475614
  H       0.283722      2.836896      4.298022
  H      -0.548904      4.322312      4.792466
  H       0.598147      2.072199      6.528013
  H       1.140371      3.771693      6.550852
  H      -1.281542      0.516148      9.232002
  H      -0.593592      0.530922      7.594818
  H      -1.076476      2.889210      9.496798
  H       0.499043      2.332948      8.858825
  C      -4.302466      4.855329      8.402714
  C      -4.954814      3.947675      7.408246
  C      -5.827012      4.244568      6.370205
  C      -5.883037      3.235170      5.383678
  N      -4.817238      2.341425      5.397368
  C      -4.909268      1.291477      4.541126
  N      -5.822819      1.058984      3.618107
  C      -6.845393      1.969819      3.516694
  C      -7.829224      1.782840      2.519519
  C      -8.891796      2.664521      2.416868
  C      -9.004855      3.741518      3.316270
  C      -8.048928      3.936719      4.305398
  C      -6.937821      3.072668      4.410902
  C      -1.921469      1.681997      3.960023
  C      -1.787347      0.217034      4.282916
  C      -2.353538     -0.849820      3.680193
  C      -3.284174     -0.777064      2.564941
  N      -3.288831      0.342014      1.831427
  C      -4.229841      0.463371      0.874247
  N      -5.149018     -0.411515      0.522914
  C      -5.158634     -1.581366      1.237258
  C      -6.131370     -2.561505      0.931216
  C      -6.182747     -3.740385      1.652605
  C      -5.265070     -3.985434      2.700132
  C      -4.305158     -3.048297      3.015856
  C      -4.222857     -1.826691      2.293433
  C      -3.452664      0.193335      7.820448
  C      -4.553516      0.491265      8.800125
  C      -5.885302      0.415752      8.598330
  C      -6.541478     -0.162763      7.424385
  N      -5.991998     -1.234711      6.845650
  C      -6.661390     -1.778432      5.798458
  N      -7.809539     -1.395125      5.270827
  C      -8.381446     -0.282043      5.827322
  C      -9.592879      0.221891      5.291415
  C     -10.171817      1.349465      5.834146
  C      -9.569318      2.017277      6.922483
  C      -8.387028      1.552073      7.461879
  C      -7.771601      0.388529      6.933921
  H      -4.450011      5.921071      8.127326
  H      -4.663624      4.737938      9.448032
  H      -4.843412      2.860338      7.574402
  H      -6.351702      5.194462      6.264939
  H      -4.115660      0.550278      4.589830
  H      -7.719104      0.930310      1.847663
  H      -9.651396      2.518589      1.644738
  H      -9.854186      4.423939      3.241345
  H      -8.157604      4.767773      5.005012
  H      -1.207112      1.895556      3.141746
  H      -2.897886      1.913163      3.513494
  H      -1.166794      0.023346      5.164897
  H      -2.173582     -1.834688      4.115364
  H      -4.210950      1.407418      0.315014
  H      -6.831999     -2.346073      0.123733
  H      -6.939955     -4.490137      1.419648
  H      -5.322548     -4.918504      3.266319
  H      -3.612934     -3.244859      3.834068
  H      -2.903544     -0.714602      8.133532
  H      -3.870974     -0.045448      6.833365
  H      -4.213503      0.944699      9.737375
  H      -6.543893      0.836142      9.361474
  H      -6.195214     -2.663530      5.354902
  H     -10.026428     -0.291307      4.433354
  H     -11.096730      1.743272      5.408191
  H     -10.033555      2.919203      7.323060
  H      -7.904756      2.086241      8.279429
  N      -3.017249      4.761280      5.487086
  N      -3.223172      5.671999      4.864300
91
Coordinates from ORCA-job orca E -6254.269012731107
  N      -2.934542      4.409610      8.234384
  Mo     -2.862525      3.046474      6.700677
  N      -2.598269      1.333483      7.686888
  C      -1.273276      1.075488      8.224621
  C      -0.597711      2.390362      8.578729
  N      -0.763285      3.362317      7.456961
  C      -0.613008      4.765762      7.927698
  C      -1.820573      5.135604      8.771476
  C       0.234461      3.099858      6.378032
  C      -0.443851      3.291132      5.034365
  N      -1.689071      2.549359      5.085754
  H      -1.976781      6.232279      8.734998
  H      -1.650613      4.884308      9.840972
  H      -0.575830      5.393078      7.027565
  H       0.337649      4.882693      8.475271
  H       0.226216      2.888665      4.254764
  H      -0.586254      4.366498      4.799849
  H       0.553547      2.052401      6.457133
  H       1.118317      3.743172      6.525357
  H      -1.321761      0.457255      9.139379
  H      -0.653745      0.504847      7.496165
  H      -1.086949      2.817768      9.462578
  H       0.474122      2.254059      8.799255
  C      -4.281855      4.857056      8.451528
  C      -4.945817      3.962260      7.454148
  C      -5.818860      4.268224      6.411130
  C      -5.866705      3.279744      5.418703
  N      -4.805697      2.372154      5.431107
  C      -4.924411      1.311745      4.592555
  N      -5.845608      1.085546      3.681009
  C      -6.845388      2.021282      3.562142
  C      -7.826396      1.854285      2.563993
  C      -8.867264      2.763304      2.452261
  C      -8.961641      3.846671      3.345348
  C      -8.008952      4.021907      4.335265
  C      -6.917800      3.132619      4.445873
  C      -1.953973      1.731248      3.915588
  C      -1.744754      0.268065      4.221247
  C      -2.280362     -0.824425      3.630525
  C      -3.251821     -0.789748      2.550025
  N      -3.317682      0.321296      1.811515
  C      -4.294640      0.397516      0.888024
  N      -5.192027     -0.514967      0.574810
  C      -5.135568     -1.676462      1.293530
  C      -6.078882     -2.696257      1.024169
  C      -6.062499     -3.868711      1.749972
  C      -5.105552     -4.067353      2.767636
  C      -4.173596     -3.089764      3.048866
  C      -4.160410     -1.875092      2.318189
  C      -3.508613      0.189138      7.766718
  C      -4.591055      0.486110      8.762351
  C      -5.922694      0.416745      8.570052
  C      -6.584387     -0.152789      7.394080
  N      -6.036373     -1.223911      6.811925
  C      -6.706219     -1.767397      5.763371
  N      -7.849173     -1.376869      5.234131
  C      -8.415699     -0.263887      5.791265
  C      -9.620505      0.242629      5.248900
  C     -10.199684      1.371092      5.789697
  C      -9.602490      2.034511      6.885782
  C      -8.426749      1.563932      7.431623
  C      -7.811038      0.402719      6.902343
  H      -4.423176      5.927430      8.190422
  H      -4.631317      4.729857      9.501747
  H      -4.858138      2.872721      7.632937
  H      -6.346888      5.215000      6.314804
  H      -4.149076      0.550207      4.651334
  H      -7.733027      0.994986      1.898150
  H      -9.624372      2.632051      1.679007
  H      -9.793771      4.547997      3.265377
  H      -8.102312      4.855979      5.030724
  H      -1.260700      1.990182      3.094584
  H      -2.945812      1.924340      3.482090
  H      -1.093998      0.100292      5.084731
  H      -2.044096     -1.799471      4.055063
  H      -4.333015      1.337200      0.324285
  H      -6.811687     -2.515493      0.238477
  H      -6.796275     -4.649519      1.544773
  H      -5.110220     -4.996892      3.338680
  H      -3.451090     -3.250441      3.846538
  H      -2.958908     -0.722324      8.068242
  H      -3.944237     -0.041002      6.784666
  H      -4.236090      0.932435      9.698103
  H      -6.575933      0.833991      9.340390
  H      -6.242462     -2.651839      5.319600
  H     -10.050453     -0.270862      4.388187
  H     -11.119869      1.768132      5.359123
  H     -10.067207      2.936388      7.287443
  H      -7.951501      2.095643      8.255906
  N      -3.045457      4.808807      5.518797
  N      -3.242187      5.738147      4.919105
91
Coordinates from ORCA-job orca E -6254.271512229157
  N      -2.923240      4.395659      8.245722
  Mo     -2.895148      3.063721      6.682081
  N      -2.635689      1.326906      7.632454
  C      -1.309012      1.045514      8.156109
  C      -0.617499      2.342436      8.539916
  N      -0.771298      3.340201      7.441403
  C      -0.599497      4.731218      7.939631
  C      -1.799620      5.099300      8.793067
  C       0.221109      3.091033      6.355669
  C      -0.461723      3.327472      5.022208
  N      -1.714665      2.597579      5.058719
  H      -1.945938      6.197797      8.779092
  H      -1.630726      4.824775      9.857147
  H      -0.556738      5.375956      7.051924
  H       0.355052      4.824274      8.485122
  H       0.199133      2.941513      4.226857
  H      -0.593693      4.410529      4.820872
  H       0.529255      2.038755      6.406217
  H       1.112890      3.720200      6.515868
  H      -1.360950      0.404312      9.054766
  H      -0.698688      0.486819      7.411178
  H      -1.098998      2.756021      9.434768
  H       0.452791      2.186654      8.756167
  C      -4.265069      4.853007      8.482468
  C      -4.939978      3.970047      7.483128
  C      -5.822010      4.277504      6.439513
  C      -5.837962      3.295222      5.446024
  N      -4.742650      2.420582      5.471868
  C      -4.835000      1.336574      4.656973
  N      -5.751692      1.067979      3.752706
  C      -6.768266      1.982888      3.599426
  C      -7.730058      1.777979      2.589300
  C      -8.784382      2.665564      2.440940
  C      -8.911056      3.763822      3.310847
  C      -7.977949      3.975296      4.314467
  C      -6.873022      3.109746      4.459947
  C      -1.966350      1.781981      3.883463
  C      -1.702141      0.324700      4.168379
  C      -2.228559     -0.776658      3.585907
  C      -3.241825     -0.756269      2.542282
  N      -3.353329      0.351575      1.804464
  C      -4.368377      0.411674      0.919322
  N      -5.262412     -0.516275      0.641358
  C      -5.158331     -1.676040      1.359209
  C      -6.094461     -2.711750      1.127185
  C      -6.033629     -3.881214      1.856822
  C      -5.037677     -4.060936      2.842473
  C      -4.111271     -3.067844      3.086231
  C      -4.142967     -1.856061      2.348884
  C      -3.551530      0.185360      7.704393
  C      -4.625927      0.473412      8.710319
  C      -5.959902      0.404876      8.531825
  C      -6.634579     -0.149580      7.356143
  N      -6.098844     -1.218149      6.758426
  C      -6.780686     -1.744463      5.708806
  N      -7.923196     -1.336833      5.190556
  C      -8.474917     -0.225528      5.763224
  C      -9.677347      0.300119      5.232005
  C     -10.243042      1.427871      5.788372
  C      -9.635449      2.070514      6.891926
  C      -8.462668      1.580286      7.427739
  C      -7.859060      0.421656      6.878977
  H      -4.400654      5.927420      8.236302
  H      -4.603141      4.714806      9.534706
  H      -4.869312      2.880870      7.671843
  H      -6.369655      5.214162      6.352814
  H      -4.040179      0.595743      4.729952
  H      -7.611748      0.907403      1.942319
  H      -9.526188      2.505238      1.657031
  H      -9.753568      4.448626      3.203015
  H      -8.097257      4.821410      4.991863
  H      -1.298929      2.077467      3.053477
  H      -2.971308      1.939824      3.471464
  H      -1.021102      0.166067      5.008673
  H      -1.952632     -1.749106      3.992731
  H      -4.446006      1.350008      0.358958
  H      -6.858731     -2.545214      0.367732
  H      -6.763121     -4.672856      1.680216
  H      -5.007669     -4.988118      3.417962
  H      -3.358386     -3.213556      3.860544
  H      -3.002557     -0.730277      7.992903
  H      -3.993529     -0.035014      6.724131
  H      -4.263228      0.908609      9.648166
  H      -6.603015      0.811356      9.316026
  H      -6.329504     -2.630442      5.255084
  H     -10.117599     -0.200107      4.368543
  H     -11.161588      1.839173      5.366519
  H     -10.090861      2.970483      7.308551
  H      -7.982979      2.095547      8.260016
  N      -3.051351      4.855217      5.539687
  N      -3.233586      5.798559      4.963072
91
Coordinates from ORCA-job orca E -6254.273841501363
  N      -2.919989      4.385709      8.231512
  Mo     -2.887292      3.065230      6.660877
  N      -2.651120      1.315495      7.600188
  C      -1.329707      1.019770      8.135608
  C      -0.632411      2.303583      8.545172
  N      -0.753974      3.313507      7.455359
  C      -0.584245      4.700126      7.971097
  C      -1.798106      5.075148      8.801988
  C       0.250913      3.066959      6.379972
  C      -0.413412      3.336691      5.042241
  N      -1.676977      2.623603      5.040700
  H      -1.935253      6.174987      8.791584
  H      -1.654666      4.793441      9.868536
  H      -0.518827      5.350657      7.088622
  H       0.360639      4.781993      8.535202
  H       0.251140      2.968584      4.241647
  H      -0.530802      4.427101      4.873994
  H       0.548643      2.011182      6.419338
  H       1.145012      3.685970      6.562842
  H      -1.399492      0.368847      9.025755
  H      -0.715650      0.463117      7.393820
  H      -1.125960      2.715366      9.434610
  H       0.431425      2.134448      8.781974
  C      -4.262699      4.852234      8.460455
  C      -4.942584      3.967386      7.468778
  C      -5.842071      4.266284      6.429461
  C      -5.863904      3.301048      5.425251
  N      -4.754081      2.451057      5.432075
  C      -4.839561      1.350650      4.641189
  N      -5.770050      1.057096      3.760774
  C      -6.792582      1.966823      3.598914
  C      -7.757361      1.751826      2.593802
  C      -8.813657      2.635324      2.439798
  C      -8.942771      3.741922      3.301112
  C      -8.009464      3.964656      4.300250
  C      -6.902215      3.104880      4.448022
  C      -1.915240      1.820333      3.847418
  C      -1.638402      0.362492      4.104421
  C      -2.177976     -0.738926      3.526719
  C      -3.214537     -0.731090      2.498749
  N      -3.341456      0.359347      1.739297
  C      -4.377230      0.391770      0.870368
  N      -5.273025     -0.549380      0.632357
  C      -5.148448     -1.690206      1.371773
  C      -6.084905     -2.735794      1.177708
  C      -6.007417     -3.887507      1.927825
  C      -4.992925     -4.038953      2.900299
  C      -4.066680     -3.034705      3.109461
  C      -4.116411     -1.841799      2.347435
  C      -3.575302      0.182066      7.680842
  C      -4.633495      0.477674      8.694291
  C      -5.969808      0.413144      8.526704
  C      -6.661995     -0.133412      7.356802
  N      -6.126535     -1.190675      6.737444
  C      -6.812000     -1.710552      5.686509
  N      -7.961782     -1.302588      5.186964
  C      -8.509442     -0.203388      5.778145
  C      -9.716335      0.321246      5.256875
  C     -10.282731      1.444519      5.819991
  C      -9.670539      2.081776      6.927234
  C      -8.496215      1.588508      7.455890
  C      -7.891461      0.437925      6.895265
  H      -4.392170      5.927925      8.215415
  H      -4.603640      4.713396      9.512896
  H      -4.880305      2.876423      7.680898
  H      -6.408457      5.193294      6.365798
  H      -4.023637      0.629060      4.724533
  H      -7.641107      0.875967      1.953573
  H      -9.555851      2.465734      1.658333
  H      -9.787778      4.422033      3.188305
  H      -8.127742      4.813516      4.973849
  H      -1.252657      2.152761      3.027463
  H      -2.923983      1.958688      3.436390
  H      -0.937713      0.196419      4.925702
  H      -1.883466     -1.707430      3.927267
  H      -4.473642      1.313842      0.291048
  H      -6.863877     -2.589159      0.428732
  H      -6.737174     -4.685283      1.779215
  H      -4.948050     -4.953422      3.492856
  H      -3.301834     -3.162432      3.876462
  H      -3.022824     -0.731965      7.964652
  H      -4.035426     -0.041906      6.712111
  H      -4.257190      0.911465      9.626936
  H      -6.602416      0.818500      9.319136
  H      -6.353117     -2.583435      5.215638
  H     -10.161658     -0.179122      4.395142
  H     -11.203818      1.855922      5.404636
  H     -10.126507      2.976673      7.354294
  H      -8.022798      2.102531      8.293381
  N      -3.002896      4.869144      5.540391
  N      -3.162707      5.820910      4.973198
91
Coordinates from ORCA-job orca E -6254.275254974877
  N      -2.906324      4.374757      8.249034
  Mo     -2.899538      3.077398      6.664244
  N      -2.665992      1.311460      7.577133
  C      -1.341772      1.002365      8.099216
  C      -0.632621      2.277741      8.522967
  N      -0.749824      3.303942      7.448428
  C      -0.567718      4.681613      7.981263
  C      -1.777490      5.052965      8.821286
  C       0.244697      3.065331      6.362078
  C      -0.428965      3.371067      5.037317
  N      -1.697028      2.667836      5.027032
  H      -1.909179      6.153184      8.821096
  H      -1.633310      4.759203      9.884178
  H      -0.501706      5.344674      7.107924
  H       0.380567      4.749524      8.543103
  H       0.222952      3.023682      4.217438
  H      -0.543572      4.466566      4.903783
  H       0.530633      2.005508      6.379709
  H       1.146979      3.672027      6.547518
  H      -1.407675      0.340576      8.982962
  H      -0.736430      0.450640      7.346302
  H      -1.121034      2.679181      9.420250
  H       0.431703      2.095784      8.754277
  C      -4.246117      4.842226      8.475007
  C      -4.917601      3.950927      7.480993
  C      -5.810705      4.235780      6.428054
  C      -5.832206      3.262777      5.423841
  N      -4.748237      2.377242      5.455146
  C      -4.861398      1.261886      4.688918
  N      -5.788772      0.979371      3.800291
  C      -6.774789      1.920890      3.605593
  C      -7.729670      1.718203      2.585368
  C      -8.756948      2.629780      2.400729
  C      -8.869672      3.750689      3.244770
  C      -7.943774      3.961362      4.257106
  C      -6.863033      3.073816      4.433939
  C      -1.937687      1.872509      3.831290
  C      -1.606991      0.424623      4.049865
  C      -2.138923     -0.677777      3.479544
  C      -3.216440     -0.687502      2.491707
  N      -3.383952      0.402031      1.736542
  C      -4.456819      0.426280      0.909527
  N      -5.352721     -0.523525      0.710281
  C      -5.185287     -1.663793      1.447380
  C      -6.120866     -2.717115      1.295593
  C      -6.000648     -3.867709      2.048076
  C      -4.942363     -4.010468      2.978357
  C      -4.016912     -2.999153      3.145796
  C      -4.110103     -1.807391      2.381421
  C      -3.594901      0.178796      7.656870
  C      -4.661926      0.474025      8.667588
  C      -5.997424      0.398356      8.500241
  C      -6.690976     -0.155259      7.334434
  N      -6.158209     -1.215242      6.719270
  C      -6.843068     -1.732974      5.668306
  N      -7.991006     -1.319096      5.166839
  C      -8.536981     -0.213759      5.753903
  C      -9.738340      0.323401      5.229239
  C     -10.295289      1.451339      5.788416
  C      -9.683387      2.082743      6.895019
  C      -8.515514      1.580559      7.429503
  C      -7.917938      0.423360      6.872336
  H      -4.375619      5.916751      8.226543
  H      -4.584016      4.704358      9.526300
  H      -4.869613      2.867225      7.727869
  H      -6.385640      5.159081      6.361296
  H      -4.076513      0.514069      4.811857
  H      -7.628845      0.829909      1.960597
  H      -9.491791      2.470112      1.608821
  H      -9.695159      4.452287      3.109290
  H      -8.048192      4.822380      4.919837
  H      -1.317019      2.244411      2.994502
  H      -2.963253      1.981345      3.457014
  H      -0.867672      0.267608      4.842323
  H      -1.801421     -1.643705      3.858317
  H      -4.584583      1.345970      0.329289
  H      -6.933092     -2.576742      0.580107
  H      -6.728809     -4.672531      1.933923
  H      -4.862450     -4.923160      3.573128
  H      -3.221693     -3.120754      3.882360
  H      -3.044083     -0.734493      7.948169
  H      -4.051799     -0.050525      6.686834
  H      -4.288621      0.913912      9.598506
  H      -6.634728      0.803954      9.289190
  H      -6.383599     -2.606567      5.193674
  H     -10.183851     -0.171796      4.366795
  H     -11.210542      1.871905      5.368438
  H     -10.132653      2.982123      7.317099
  H      -8.040987      2.091624      8.265965
  N      -3.013036      4.900771      5.573344
  N      -3.170324      5.865824      5.020531
91
Coordinates from ORCA-job orca E -6254.277119697417
  N      -2.909240      4.368524      8.231546
  Mo     -2.918071      3.068243      6.647622
  N      -2.691691      1.300976      7.560728
  C      -1.370478      0.984058      8.085825
  C      -0.655374      2.253675      8.516096
  N      -0.758005      3.278566      7.441048
  C      -0.566823      4.654214      7.973431
  C      -1.776611      5.036415      8.806840
  C       0.236022      3.032593      6.358869
  C      -0.429812      3.363638      5.036242
  N      -1.706460      2.678094      5.008985
  H      -1.898554      6.137630      8.804569
  H      -1.640091      4.742873      9.870882
  H      -0.490919      5.316407      7.100120
  H       0.378629      4.716772      8.540665
  H       0.219342      3.025823      4.210512
  H      -0.532329      4.462930      4.923842
  H       0.507766      1.968821      6.367661
  H       1.145985      3.625913      6.551018
  H      -1.442812      0.319360      8.966730
  H      -0.765560      0.431778      7.333038
  H      -1.146145      2.658497      9.410489
  H       0.405647      2.061189      8.755734
  C      -4.242499      4.845690      8.464532
  C      -4.924594      3.941273      7.489946
  C      -5.841153      4.211544      6.453430
  C      -5.833837      3.257570      5.438353
  N      -4.717608      2.408372      5.451564
  C      -4.802007      1.296269      4.678494
  N      -5.729512      0.989306      3.800387
  C      -6.738113      1.907407      3.609077
  C      -7.685582      1.689359      2.587801
  C      -8.728290      2.584573      2.398957
  C      -8.863559      3.703082      3.241217
  C      -7.947103      3.926462      4.258544
  C      -6.853834      3.054379      4.440409
  C      -1.933203      1.898440      3.801201
  C      -1.576038      0.453358      4.001530
  C      -2.111424     -0.651868      3.439500
  C      -3.192831     -0.672029      2.460059
  N      -3.356518      0.399520      1.677118
  C      -4.425946      0.406218      0.844675
  N      -5.321760     -0.545548      0.664944
  C      -5.162044     -1.666553      1.431961
  C      -6.099707     -2.720525      1.301396
  C      -5.987085     -3.852663      2.082132
  C      -4.934982     -3.974693      3.019037
  C      -4.007665     -2.962347      3.166158
  C      -4.091690     -1.790205      2.373932
  C      -3.632541      0.180128      7.665519
  C      -4.684267      0.477439      8.691050
  C      -6.020448      0.399401      8.529705
  C      -6.712119     -0.139305      7.356022
  N      -6.171988     -1.183120      6.720939
  C      -6.849839     -1.681739      5.656803
  N      -8.000717     -1.268352      5.163179
  C      -8.556104     -0.180240      5.770792
  C      -9.759091      0.358683      5.252175
  C     -10.322081      1.474986      5.829307
  C      -9.713810      2.090315      6.947578
  C      -8.545185      1.584085      7.476029
  C      -7.941133      0.440132      6.901879
  H      -4.369044      5.917962      8.202476
  H      -4.570776      4.725641      9.521513
  H      -4.881591      2.862230      7.755650
  H      -6.447513      5.116818      6.406436
  H      -3.993714      0.575523      4.796167
  H      -7.566136      0.804427      1.961514
  H      -9.455242      2.414129      1.603248
  H      -9.699113      4.391866      3.100721
  H      -8.067072      4.784279      4.922146
  H      -1.320001      2.298178      2.972262
  H      -2.961643      1.992347      3.427148
  H      -0.816484      0.297925      4.773948
  H      -1.761204     -1.615097      3.810227
  H      -4.550033      1.314844      0.243605
  H      -6.907771     -2.595821      0.579023
  H      -6.716524     -4.658212      1.984783
  H      -4.861071     -4.872589      3.635628
  H      -3.217512     -3.067930      3.908128
  H      -3.085142     -0.738340      7.947520
  H      -4.109400     -0.049824      6.705684
  H      -4.303472      0.910757      9.622180
  H      -6.657509      0.792749      9.325434
  H      -6.380945     -2.536070      5.161637
  H     -10.199647     -0.123346      4.379740
  H     -11.237635      1.899058      5.414599
  H     -10.167726      2.980009      7.384473
  H      -8.075726      2.081738      8.323972
  N      -3.020577      4.897715      5.568373
  N      -3.166132      5.867818      5.019495
91
Coordinates from ORCA-job orca E -6254.278317049599
  N      -2.910269      4.361383      8.223885
  Mo     -2.917839      3.060179      6.644941
  N      -2.697206      1.289302      7.555245
  C      -1.378508      0.966973      8.084561
  C      -0.663575      2.232269      8.520878
  N      -0.754108      3.256382      7.446432
  C      -0.561487      4.631213      7.978528
  C      -1.775412      5.023141      8.803411
  C       0.237421      3.000935      6.365299
  C      -0.419046      3.355518      5.044246
  N      -1.703653      2.687993      4.999016
  H      -1.889995      6.125322      8.796222
  H      -1.647247      4.733375      9.869479
  H      -0.475124      5.291089      7.104841
  H       0.379234      4.691058      8.553013
  H       0.231396      3.029408      4.214945
  H      -0.510412      4.458657      4.952965
  H       0.490913      1.932942      6.369782
  H       1.156661      3.578500      6.561712
  H      -1.456859      0.299013      8.961235
  H      -0.772764      0.416385      7.331624
  H      -1.159446      2.639545      9.411195
  H       0.393998      2.036232      8.769848
  C      -4.244421      4.849044      8.447625
  C      -4.923662      3.927270      7.485829
  C      -5.846003      4.190711      6.448445
  C      -5.833719      3.245365      5.433872
  N      -4.704026      2.417708      5.447693
  C      -4.764071      1.299630      4.679158
  N      -5.686391      0.972844      3.803280
  C      -6.709039      1.874246      3.603841
  C      -7.649705      1.633618      2.582255
  C      -8.704863      2.508307      2.382469
  C      -8.858083      3.632779      3.213497
  C      -7.949597      3.881134      4.231778
  C      -6.846692      3.026229      4.428963
  C      -1.932133      1.926369      3.780117
  C      -1.538495      0.484667      3.950814
  C      -2.081294     -0.619902      3.390508
  C      -3.182831     -0.633382      2.436716
  N      -3.349313      0.431097      1.648454
  C      -4.430542      0.434884      0.831714
  N      -5.339549     -0.509647      0.677427
  C      -5.180687     -1.622212      1.453568
  C      -6.133384     -2.666280      1.351796
  C      -6.021067     -3.789513      2.142421
  C      -4.954428     -3.910554      3.061911
  C      -4.012431     -2.906519      3.181359
  C      -4.095918     -1.744433      2.376837
  C      -3.644363      0.177039      7.673537
  C      -4.692929      0.489102      8.694187
  C      -6.029371      0.407773      8.536080
  C      -6.721986     -0.134084      7.364623
  N      -6.179552     -1.176277      6.726944
  C      -6.853813     -1.672452      5.657921
  N      -8.007644     -1.265043      5.167115
  C      -8.565273     -0.180569      5.777953
  C      -9.767705      0.355308      5.256061
  C     -10.333171      1.473258      5.830182
  C      -9.726288      2.091343      6.950001
  C      -8.557826      1.586319      7.480657
  C      -7.952112      0.441703      6.909886
  H      -4.368778      5.917056      8.168106
  H      -4.577351      4.747548      9.506521
  H      -4.883499      2.854852      7.800883
  H      -6.469754      5.083872      6.413725
  H      -3.939166      0.597470      4.805695
  H      -7.515959      0.746053      1.962539
  H      -9.425571      2.318622      1.585186
  H      -9.701318      4.307045      3.061773
  H      -8.084018      4.744775      4.884780
  H      -1.346552      2.360779      2.947621
  H      -2.969113      1.998083      3.426700
  H      -0.752946      0.325621      4.693696
  H      -1.712962     -1.586269      3.733740
  H      -4.553550      1.336940      0.223133
  H      -6.953445     -2.541454      0.643517
  H      -6.762971     -4.586784      2.067669
  H      -4.881653     -4.801153      3.688148
  H      -3.211225     -3.009285      3.913616
  H      -3.102938     -0.741578      7.960071
  H      -4.122872     -0.061161      6.717536
  H      -4.312838      0.928815      9.622760
  H      -6.663954      0.802691      9.333135
  H      -6.376778     -2.518235      5.156686
  H     -10.205745     -0.127438      4.381456
  H     -11.247722      1.896293      5.412754
  H     -10.180988      2.981951      7.386091
  H      -8.090209      2.087283      8.329061
  N      -3.015272      4.894681      5.576201
  N      -3.153001      5.863811      5.033964
91
Coordinates from ORCA-job orca E -6254.279400990755
  N      -2.907068      4.365556      8.195939
  Mo     -2.906431      3.052891      6.628303
  N      -2.704500      1.286781      7.551516
  C      -1.392774      0.960909      8.096200
  C      -0.676740      2.226732      8.533381
  N      -0.749316      3.242458      7.450918
  C      -0.554576      4.618469      7.972111
  C      -1.773681      5.023846      8.780403
  C       0.246432      2.970912      6.380015
  C      -0.391172      3.338054      5.053895
  N      -1.684120      2.687936      4.986905
  H      -1.878992      6.126888      8.760838
  H      -1.658640      4.743401      9.850117
  H      -0.453834      5.271529      7.095220
  H       0.378894      4.678849      8.558474
  H       0.263157      3.014547      4.226784
  H      -0.472355      4.443597      4.971775
  H       0.479425      1.898446      6.386015
  H       1.174699      3.532315      6.583867
  H      -1.478607      0.296730      8.974884
  H      -0.782004      0.407010      7.349779
  H      -1.182744      2.640822      9.414438
  H       0.376464      2.025239      8.796818
  C      -4.235527      4.857792      8.412142
  C      -4.915645      3.918094      7.466025
  C      -5.867554      4.158315      6.450931
  C      -5.844506      3.218511      5.431174
  N      -4.701213      2.408818      5.432443
  C      -4.744712      1.289206      4.663128
  N      -5.668947      0.942501      3.795828
  C      -6.710286      1.826045      3.608313
  C      -7.656843      1.565276      2.596260
  C      -8.727021      2.423698      2.402597
  C      -8.889244      3.552278      3.226774
  C      -7.975269      3.819526      4.236214
  C      -6.860550      2.979103      4.430533
  C      -1.897593      1.936314      3.759762
  C      -1.491561      0.494173      3.924007
  C      -2.041915     -0.608089      3.372002
  C      -3.135094     -0.623805      2.408699
  N      -3.273317      0.426245      1.595789
  C      -4.334344      0.423164      0.752440
  N      -5.248765     -0.513859      0.595793
  C      -5.124632     -1.607925      1.404675
  C      -6.089063     -2.640476      1.307916
  C      -6.011157     -3.742805      2.133635
  C      -4.969794     -3.851628      3.083327
  C      -4.016635     -2.858659      3.197368
  C      -4.062696     -1.720187      2.356919
  C      -3.664090      0.185423      7.676087
  C      -4.713341      0.491600      8.703712
  C      -6.050323      0.406330      8.547843
  C      -6.744935     -0.109203      7.366108
  N      -6.203157     -1.132128      6.697335
  C      -6.881067     -1.598859      5.617547
  N      -8.044824     -1.188574      5.150459
  C      -8.609229     -0.125409      5.798533
  C      -9.825869      0.410161      5.310934
  C     -10.392288      1.507483      5.923365
  C      -9.773948      2.103320      7.047094
  C      -8.592180      1.596771      7.546961
  C      -7.984650      0.471606      6.939031
  H      -4.355668      5.919364      8.109527
  H      -4.568699      4.781715      9.472407
  H      -4.880451      2.858405      7.800912
  H      -6.528593      5.026249      6.437836
  H      -3.902453      0.606881      4.787361
  H      -7.514154      0.677212      1.978381
  H      -9.451450      2.218903      1.612198
  H      -9.742427      4.214962      3.077358
  H      -8.114469      4.687254      4.884211
  H      -1.313383      2.384292      2.930763
  H      -2.934971      2.005117      3.406311
  H      -0.691216      0.334397      4.655611
  H      -1.674304     -1.578186      3.714846
  H      -4.431960      1.314330      0.123042
  H      -6.890121     -2.524139      0.576613
  H      -6.761136     -4.532730      2.064519
  H      -4.925643     -4.723122      3.738880
  H      -3.236801     -2.949278      3.953369
  H      -3.133065     -0.742761      7.957069
  H      -4.146381     -0.044971      6.718657
  H      -4.334369      0.918856      9.638244
  H      -6.687348      0.783673      9.351790
  H      -6.397310     -2.420394      5.080040
  H     -10.272391     -0.054220      4.431100
  H     -11.317988      1.931263      5.532321
  H     -10.230494      2.977593      7.512881
  H      -8.114289      2.075047      8.402014
  N      -3.005097      4.891364      5.562817
  N      -3.130947      5.863432      5.018180
91
Coordinates from ORCA-job orca E -6254.280395519152
  N      -2.898658      4.358622      8.195402
  Mo     -2.909557      3.047635      6.627549
  N      -2.717117      1.276599      7.544663
  C      -1.408353      0.942056      8.092725
  C      -0.686673      2.204515      8.534635
  N      -0.750362      3.221500      7.452921
  C      -0.543795      4.595447      7.974428
  C      -1.761384      5.010047      8.780798
  C       0.240371      2.940953      6.381019
  C      -0.391637      3.333845      5.059962
  N      -1.694229      2.700846      4.976031
  H      -1.859199      6.113736      8.758621
  H      -1.650206      4.730041      9.850953
  H      -0.435600      5.249916      7.099244
  H       0.388686      4.648533      8.564141
  H       0.260284      3.020404      4.227174
  H      -0.462786      4.441245      4.996286
  H       0.450314      1.863359      6.375603
  H       1.181378      3.480249      6.589570
  H      -1.498139      0.276610      8.970010
  H      -0.797620      0.387097      7.346920
  H      -1.196568      2.619179      9.413448
  H       0.364640      1.996313      8.804072
  C      -4.225919      4.857518      8.404144
  C      -4.896483      3.901665      7.463801
  C      -5.858498      4.130433      6.448588
  C      -5.827987      3.190018      5.432550
  N      -4.680062      2.383157      5.434316
  C      -4.721066      1.263300      4.666316
  N      -5.642066      0.913996      3.797763
  C      -6.686327      1.795333      3.609359
  C      -7.631941      1.529961      2.597562
  C      -8.703091      2.388033      2.399279
  C      -8.866405      3.519729      3.217029
  C      -7.953125      3.789054      4.226294
  C      -6.840131      2.947590      4.427493
  C      -1.900299      1.973514      3.731983
  C      -1.452288      0.539066      3.861354
  C      -2.001038     -0.566856      3.316017
  C      -3.121414     -0.593275      2.381481
  N      -3.279712      0.448639      1.561122
  C      -4.353267      0.429643      0.734713
  N      -5.264927     -0.514135      0.603922
  C      -5.124146     -1.596654      1.425285
  C      -6.087317     -2.632641      1.361809
  C      -5.989059     -3.723121      2.201381
  C      -4.929247     -3.815913      3.132075
  C      -3.977564     -2.818347      3.214116
  C      -4.044553     -1.692108      2.359112
  C      -3.688952      0.187286      7.671720
  C      -4.739182      0.505366      8.695411
  C      -6.076821      0.416875      8.542168
  C      -6.774167     -0.097682      7.359416
  N      -6.230321     -1.111314      6.680281
  C      -6.909707     -1.568785      5.596972
  N      -8.077270     -1.161414      5.137719
  C      -8.646775     -0.107653      5.798605
  C      -9.867283      0.427527      5.320711
  C     -10.434036      1.518790      5.944754
  C      -9.811953      2.110219      7.067646
  C      -8.625140      1.604903      7.557862
  C      -8.018141      0.483077      6.940550
  H      -4.345099      5.915075      8.083840
  H      -4.561679      4.799833      9.464995
  H      -4.876114      2.856491      7.840872
  H      -6.542923      4.981380      6.443643
  H      -3.877613      0.584507      4.792201
  H      -7.486059      0.641796      1.982358
  H      -9.426072      2.180740      1.608734
  H      -9.718072      4.185123      3.062097
  H      -8.089935      4.662989      4.864925
  H      -1.342733      2.455005      2.904322
  H      -2.945315      2.022506      3.399278
  H      -0.623431      0.387549      4.562666
  H      -1.606150     -1.535400      3.631404
  H      -4.461825      1.310702      0.092794
  H      -6.902957     -2.529336      0.644979
  H      -6.737358     -4.516750      2.158273
  H      -4.869318     -4.677624      3.798932
  H      -3.183140     -2.892385      3.956503
  H      -3.171839     -0.746195      7.963391
  H      -4.168648     -0.045757      6.713553
  H      -4.360476      0.934853      9.629556
  H      -6.713041      0.791290      9.348505
  H      -6.425072     -2.382272      5.047280
  H     -10.315145     -0.031502      4.438735
  H     -11.363362      1.942964      5.560716
  H     -10.268743      2.981167      7.540898
  H      -8.139885      2.078632      8.411254
  N      -3.007879      4.899134      5.575242
  N      -3.126075      5.876523      5.036756
91
Coordinates from ORCA-job orca E -6254.281279385731
  N      -2.884931      4.355477      8.194616
  Mo     -2.905123      3.044919      6.625854
  N      -2.730296      1.267500      7.536726
  C      -1.428068      0.919521      8.091555
  C      -0.698819      2.175049      8.539173
  N      -0.749502      3.193100      7.457616
  C      -0.526725      4.564672      7.979737
  C      -1.741997      4.995156      8.782869
  C       0.235985      2.898809      6.384006
  C      -0.383953      3.320405      5.066669
  N      -1.698730      2.710471      4.963905
  H      -1.827456      6.099940      8.758554
  H      -1.637385      4.715677      9.853795
  H      -0.406279      5.218479      7.105863
  H       0.404399      4.604808      8.572588
  H       0.267456      3.010133      4.232278
  H      -0.438763      4.428924      5.016015
  H       0.413939      1.815767      6.367377
  H       1.191990      3.407606      6.600636
  H      -1.527917      0.253028      8.966630
  H      -0.817996      0.361038      7.348464
  H      -1.212641      2.593508      9.414008
  H       0.349027      1.959540      8.815321
  C      -4.210890      4.864810      8.395089
  C      -4.875040      3.897504      7.459711
  C      -5.856119      4.117440      6.451623
  C      -5.818727      3.182427      5.435586
  N      -4.662239      2.383641      5.435907
  C      -4.694854      1.265932      4.663356
  N      -5.614271      0.910310      3.796715
  C      -6.670687      1.780899      3.614984
  C      -7.621480      1.500631      2.611875
  C      -8.703366      2.346143      2.419448
  C      -8.870304      3.481020      3.232463
  C      -7.951622      3.763520      4.232969
  C      -6.831337      2.932362      4.431368
  C      -1.904909      2.012049      3.700989
  C      -1.418173      0.588595      3.798499
  C      -1.960153     -0.524778      3.262520
  C      -3.104571     -0.565684      2.354824
  N      -3.281895      0.463270      1.523258
  C      -4.359204      0.416403      0.703497
  N      -5.260769     -0.540641      0.595387
  C      -5.105326     -1.604929      1.437577
  C      -6.058800     -2.651202      1.403684
  C      -5.942587     -3.722269      2.264158
  C      -4.874082     -3.786177      3.187351
  C      -3.931032     -2.778183      3.239946
  C      -4.017901     -1.670998      2.362749
  C      -3.714842      0.190531      7.655772
  C      -4.765449      0.516234      8.675184
  C      -6.103727      0.431944      8.524994
  C      -6.805702     -0.072800      7.339474
  N      -6.261569     -1.076582      6.646240
  C      -6.942857     -1.524538      5.559578
  N      -8.114563     -1.118120      5.111565
  C      -8.687493     -0.076935      5.790720
  C      -9.915667      0.452761      5.328598
  C     -10.488305      1.530485      5.970202
  C      -9.862981      2.116323      7.093707
  C      -8.666941      1.617396      7.567932
  C      -8.056068      0.505913      6.934335
  H      -4.323912      5.918740      8.059030
  H      -4.552151      4.824173      9.455029
  H      -4.875180      2.865109      7.873472
  H      -6.565224      4.946649      6.463139
  H      -3.846570      0.590464      4.785235
  H      -7.470478      0.611380      1.998907
  H      -9.431207      2.126547      1.636734
  H      -9.728247      4.138754      3.081524
  H      -8.091001      4.642579      4.863561
  H      -1.370892      2.524315      2.877916
  H      -2.955944      2.043267      3.389568
  H      -0.564886      0.451938      4.469420
  H      -1.537748     -1.488354      3.552707
  H      -4.480068      1.282632      0.045200
  H      -6.881584     -2.571511      0.692319
  H      -6.683662     -4.523552      2.243400
  H      -4.800925     -4.632640      3.870734
  H      -3.128664     -2.825732      3.975299
  H      -3.212173     -0.749364      7.953248
  H      -4.190096     -0.037124      6.694494
  H      -4.385658      0.942041      9.610854
  H      -6.734897      0.803351      9.336127
  H      -6.455517     -2.326948      4.995601
  H     -10.364430      0.000407      4.444002
  H     -11.425331      1.949353      5.598929
  H     -10.324150      2.977839      7.580281
  H      -8.175768      2.086358      8.420026
  N      -2.994064      4.912356      5.586671
  N      -3.099132      5.893315      5.056040
91
Coordinates from ORCA-job orca E -6254.282063219609
  N      -2.876099      4.351357      8.188022
  Mo     -2.899492      3.030240      6.627986
  N      -2.734703      1.254663      7.544731
  C      -1.440395      0.901787      8.113809
  C      -0.709172      2.157449      8.558471
  N      -0.750313      3.168063      7.469043
  C      -0.515812      4.541375      7.983149
  C      -1.731795      4.988600      8.777357
  C       0.232283      2.856847      6.397236
  C      -0.374368      3.293103      5.078854
  N      -1.698382      2.701303      4.960015
  H      -1.810210      6.093376      8.743121
  H      -1.635223      4.717128      9.851077
  H      -0.384724      5.189063      7.106230
  H       0.413150      4.575580      8.579983
  H       0.279515      2.979316      4.247463
  H      -0.415396      4.401714      5.030297
  H       0.383710      1.769624      6.377185
  H       1.199501      3.340907      6.619586
  H      -1.553237      0.241752      8.992441
  H      -0.826447      0.333975      7.381481
  H      -1.229668      2.584811      9.425060
  H       0.336113      1.941890      8.844836
  C      -4.201857      4.867534      8.374366
  C      -4.855938      3.881923      7.448812
  C      -5.855459      4.095753      6.448403
  C      -5.812396      3.166928      5.430473
  N      -4.647895      2.377401      5.426723
  C      -4.673277      1.264654      4.646738
  N      -5.590006      0.906606      3.778395
  C      -6.657043      1.768153      3.604509
  C      -7.610420      1.480547      2.605228
  C      -8.701872      2.315896      2.419415
  C      -8.873071      3.448648      3.234162
  C      -7.950649      3.737286      4.230522
  C      -6.824555      2.914167      4.424963
  C      -1.899321      2.041809      3.673496
  C      -1.381573      0.628004      3.731733
  C      -1.919750     -0.487250      3.196547
  C      -3.090440     -0.534549      2.317647
  N      -3.293350      0.488353      1.485169
  C      -4.382402      0.423600      0.683300
  N      -5.276425     -0.543885      0.598781
  C      -5.099693     -1.596828      1.449391
  C      -6.045912     -2.650637      1.445566
  C      -5.906893     -3.708455      2.318385
  C      -4.822578     -3.752686      3.225875
  C      -3.885546     -2.737981      3.247648
  C      -3.996775     -1.643772      2.356004
  C      -3.729892      0.187416      7.657138
  C      -4.784201      0.524788      8.667595
  C      -6.123720      0.446901      8.518370
  C      -6.831632     -0.053701      7.334139
  N      -6.286951     -1.048970      6.630331
  C      -6.969884     -1.490249      5.542507
  N      -8.146169     -1.087844      5.104271
  C      -8.721677     -0.057026      5.796122
  C      -9.956497      0.468604      5.344967
  C     -10.533063      1.537512      5.998073
  C      -9.903247      2.121006      7.120386
  C      -8.699953      1.626847      7.582968
  C      -8.086904      0.522277      6.939010
  H      -4.309808      5.915735      8.017720
  H      -4.549798      4.847775      9.432049
  H      -4.877679      2.867690      7.901710
  H      -6.584626      4.906291      6.476667
  H      -3.821193      0.592125      4.763467
  H      -7.453864      0.593968      1.990292
  H      -9.432940      2.090109      1.641050
  H      -9.736215      4.100862      3.088014
  H      -8.092291      4.617706      4.857592
  H      -1.378448      2.589523      2.865085
  H      -2.953843      2.059303      3.374015
  H      -0.506059      0.497918      4.374956
  H      -1.474598     -1.449677      3.457104
  H      -4.519895      1.280368      0.018331
  H      -6.881605     -2.587227      0.747895
  H      -6.643639     -4.513891      2.320801
  H      -4.733388     -4.588594      3.920732
  H      -3.069026     -2.765967      3.969838
  H      -3.239409     -0.755810      7.966796
  H      -4.197980     -0.042042      6.693466
  H      -4.404588      0.951156      9.602981
  H      -6.748329      0.822631      9.331699
  H      -6.481046     -2.283893      4.969453
  H     -10.406732      0.019895      4.459226
  H     -11.476340      1.951995      5.636170
  H     -10.366850      2.976377      7.615607
  H      -8.203360      2.094920      8.432419
  N      -2.988626      4.906265      5.584274
  N      -3.087619      5.886362      5.052586
91
Coordinates from ORCA-job orca E -6254.282746594262
  N      -2.862784      4.351675      8.186363
  Mo     -2.894329      3.024725      6.629848
  N      -2.744781      1.248435      7.545542
  C      -1.460773      0.881394      8.124925
  C      -0.721686      2.129891      8.571358
  N      -0.751319      3.138196      7.479669
  C      -0.499620      4.509726      7.992557
  C      -1.713871      4.977168      8.780118
  C       0.227525      2.813507      6.406959
  C      -0.363682      3.269052      5.088512
  N      -1.697593      2.699651      4.957339
  H      -1.779037      6.082546      8.741529
  H      -1.627176      4.708824      9.855376
  H      -0.355601      5.152832      7.114690
  H       0.427993      4.530085      8.591099
  H       0.291308      2.945618      4.261431
  H      -0.384196      4.378196      5.040089
  H       0.353644      1.723388      6.379568
  H       1.204467      3.273019      6.637295
  H      -1.590925      0.224741      9.003828
  H      -0.847805      0.303592      7.399901
  H      -1.243037      2.564938      9.433376
  H       0.320441      1.909173      8.861941
  C      -4.187479      4.879837      8.357554
  C      -4.835120      3.880157      7.440464
  C      -5.854496      4.086411      6.450721
  C      -5.803731      3.160505      5.433385
  N      -4.629967      2.380735      5.429870
  C      -4.645311      1.267586      4.649474
  N      -5.560289      0.898538      3.785012
  C      -6.638674      1.747476      3.612654
  C      -7.592287      1.445373      2.619001
  C      -8.693832      2.267510      2.433662
  C      -8.872519      3.402914      3.243398
  C      -7.948767      3.706848      4.234274
  C      -6.814750      2.895746      4.429086
  C      -1.906582      2.083761      3.648633
  C      -1.362755      0.678996      3.668797
  C      -1.891709     -0.440900      3.134807
  C      -3.083150     -0.500772      2.282548
  N      -3.313560      0.511019      1.443937
  C      -4.414230      0.422984      0.659301
  N      -5.295514     -0.558395      0.599243
  C      -5.093674     -1.596682      1.462028
  C      -6.026701     -2.662475      1.488091
  C      -5.862208     -3.704558      2.374540
  C      -4.763859     -3.723494      3.266372
  C      -3.838528     -2.698411      3.258075
  C      -3.977306     -1.618727      2.352299
  C      -3.752084      0.190982      7.642998
  C      -4.806165      0.528353      8.652700
  C      -6.146108      0.463062      8.503125
  C      -6.857190     -0.024362      7.317325
  N      -6.313787     -1.015146      6.605632
  C      -6.998902     -1.454670      5.518658
  N      -8.179467     -1.054821      5.090486
  C      -8.753638     -0.030314      5.791051
  C      -9.996632      0.486616      5.352198
  C     -10.578532      1.546088      6.014960
  C      -9.943622      2.130475      7.134869
  C      -8.732597      1.644754      7.584896
  C      -8.116072      0.548745      6.931668
  H      -4.284626      5.922653      7.983791
  H      -4.544649      4.878872      9.412047
  H      -4.884957      2.881042      7.925589
  H      -6.600944      4.879169      6.495493
  H      -3.784955      0.603535      4.759572
  H      -7.429069      0.556682      2.008186
  H      -9.426749      2.029138      1.660801
  H      -9.742676      4.045322      3.098309
  H      -8.097853      4.589955      4.856440
  H      -1.397747      2.665918      2.855588
  H      -2.964216      2.091268      3.361945
  H      -0.467024      0.557667      4.285585
  H      -1.420944     -1.397599      3.370870
  H      -4.574328      1.269739     -0.014049
  H      -6.873693     -2.619954      0.802342
  H      -6.590364     -4.517118      2.399117
  H      -4.656022     -4.548060      3.971889
  H      -3.009531     -2.705304      3.966186
  H      -3.270546     -0.758780      7.947649
  H      -4.218453     -0.025880      6.675396
  H      -4.423968      0.944497      9.591577
  H      -6.764336      0.839472      9.320712
  H      -6.508331     -2.243499      4.940498
  H     -10.449600      0.038238      4.467462
  H     -11.528875      1.952258      5.663848
  H     -10.410609      2.978802      7.638161
  H      -8.234196      2.115563      8.432044
  N      -2.973365      4.913994      5.584619
  N      -3.062593      5.894871      5.054785
91
Coordinates from ORCA-job orca E -6254.283334564012
  N      -2.859775      4.350654      8.178758
  Mo     -2.892876      3.007652      6.632982
  N      -2.750833      1.239121      7.560569
  C      -1.474948      0.869306      8.154122
  C      -0.733675      2.118986      8.593805
  N      -0.755859      3.116992      7.492675
  C      -0.495404      4.491507      7.994660
  C      -1.710244      4.976031      8.771017
  C       0.223404      2.777628      6.425138
  C      -0.353557      3.235221      5.101726
  N      -1.692630      2.679300      4.963088
  H      -1.768870      6.081130      8.718648
  H      -1.631095      4.720139      9.849870
  H      -0.342387      5.125384      7.111421
  H       0.430312      4.508088      8.596325
  H       0.304789      2.898768      4.282247
  H      -0.360454      4.344608      5.044354
  H       0.335703      1.685598      6.400064
  H       1.204754      3.225197      6.660143
  H      -1.617971      0.222510      9.038732
  H      -0.860445      0.279050      7.440218
  H      -1.258401      2.564855      9.448238
  H       0.306908      1.899396      8.891280
  C      -4.183662      4.885300      8.332821
  C      -4.823656      3.866400      7.429847
  C      -5.860091      4.061682      6.450435
  C      -5.802556      3.142362      5.428957
  N      -4.624339      2.367928      5.422008
  C      -4.631895      1.260180      4.634077
  N      -5.543892      0.890157      3.766782
  C      -6.627006      1.733551      3.597724
  C      -7.577749      1.431675      2.601592
  C      -8.685054      2.247036      2.420681
  C      -8.871176      3.375939      3.236984
  C      -7.948770      3.680898      4.229684
  C      -6.810488      2.875889      4.420630
  C      -1.908111      2.109598      3.633670
  C      -1.342741      0.714157      3.610570
  C      -1.865823     -0.405941      3.073260
  C      -3.075554     -0.474091      2.247537
  N      -3.330606      0.534557      1.412130
  C      -4.443932      0.433830      0.645473
  N      -5.312267     -0.560381      0.598556
  C      -5.086899     -1.593355      1.462024
  C      -6.007605     -2.670222      1.505957
  C      -5.822310     -3.704357      2.399068
  C      -4.714398     -3.705093      3.279829
  C      -3.799235     -2.671356      3.251926
  C      -3.959021     -1.600174      2.338434
  C      -3.764278      0.185982      7.653201
  C      -4.818971      0.528350      8.660271
  C      -6.158622      0.474144      8.507115
  C      -6.873456     -0.005350      7.321973
  N      -6.331028     -0.989578      6.600318
  C      -7.018876     -1.422545      5.512772
  N      -8.204204     -1.023983      5.095349
  C      -8.776732     -0.005796      5.805261
  C     -10.025570      0.509416      5.378455
  C     -10.605982      1.564013      6.049968
  C      -9.963303      2.145963      7.167157
  C      -8.747925      1.661352      7.606342
  C      -8.133691      0.569626      6.944815
  H      -4.273577      5.920831      7.938069
  H      -4.548112      4.905423      9.384304
  H      -4.896104      2.885917      7.943853
  H      -6.621686      4.839363      6.510893
  H      -3.766366      0.601941      4.740357
  H      -7.408861      0.548199      1.985692
  H      -9.416773      2.008632      1.646603
  H      -9.745785      4.013036      3.095727
  H      -8.103783      4.558610      4.858369
  H      -1.411765      2.727625      2.859121
  H      -2.967704      2.109054      3.356295
  H      -0.427576      0.598210      4.200452
  H      -1.372154     -1.357687      3.282797
  H      -4.627185      1.279787     -0.024254
  H      -6.862836     -2.641487      0.829477
  H      -6.541980     -4.524328      2.437647
  H      -4.591905     -4.523167      3.991388
  H      -2.962412     -2.664616      3.951247
  H      -3.285944     -0.764700      7.958161
  H      -4.230358     -0.027812      6.685009
  H      -4.434749      0.939577      9.600659
  H      -6.773848      0.856292      9.324286
  H      -6.526175     -2.203130      4.925649
  H     -10.484308      0.063413      4.495362
  H     -11.560514      1.968250      5.708547
  H     -10.428857      2.990753      7.677379
  H      -8.246554      2.131481      8.452316
  N      -2.974102      4.897404      5.567875
  N      -3.062844      5.872820      5.030545
91
Coordinates from ORCA-job orca E -6254.283831670397
  N      -2.854997      4.355938      8.168165
  Mo     -2.891680      2.993840      6.637929
  N      -2.760149      1.235719      7.579093
  C      -1.493678      0.861930      8.189983
  C      -0.746182      2.111230      8.619172
  N      -0.758710      3.096729      7.507008
  C      -0.489140      4.474855      7.995133
  C      -1.703586      4.978429      8.759251
  C       0.221725      2.739697      6.447364
  C      -0.339261      3.194303      5.117244
  N      -1.684361      2.656973      4.973039
  H      -1.752594      6.083388      8.693262
  H      -1.632330      4.734966      9.841674
  H      -0.326894      5.097333      7.105121
  H       0.434243      4.489349      8.600503
  H       0.321439      2.837449      4.307966
  H      -0.326869      4.303600      5.045969
  H       0.323441      1.646309      6.429151
  H       1.206247      3.179063      6.684698
  H      -1.651959      0.228480      9.081655
  H      -0.879348      0.255875      7.489507
  H      -1.270931      2.570090      9.466804
  H       0.292313      1.889905      8.922370
  C      -4.176433      4.901561      8.300949
  C      -4.810004      3.862238      7.415391
  C      -5.855710      4.048017      6.440191
  C      -5.794975      3.126118      5.423993
  N      -4.611929      2.357956      5.417443
  C      -4.614580      1.243329      4.638924
  N      -5.528859      0.858162      3.780715
  C      -6.615855      1.694216      3.606112
  C      -7.566799      1.378446      2.615867
  C      -8.678461      2.186594      2.430739
  C      -8.869015      3.321479      3.238016
  C      -7.945946      3.640810      4.225502
  C      -6.803134      2.843924      4.419198
  C      -1.904381      2.136291      3.623552
  C      -1.322421      0.747866      3.556879
  C      -1.840854     -0.369862      3.010147
  C      -3.062267     -0.442821      2.203558
  N      -3.337660      0.566076      1.375776
  C      -4.467907      0.463364      0.632811
  N      -5.330843     -0.535762      0.597834
  C      -5.083890     -1.569635      1.454158
  C      -6.000431     -2.649226      1.516510
  C      -5.797286     -3.680649      2.410295
  C      -4.674900     -3.675574      3.272592
  C      -3.762722     -2.640051      3.225203
  C      -3.940093     -1.572827      2.310469
  C      -3.778641      0.184892      7.662776
  C      -4.835119      0.527844      8.668396
  C      -6.174377      0.484589      8.509186
  C      -6.891368      0.013256      7.323847
  N      -6.351485     -0.968165      6.596171
  C      -7.043489     -1.397518      5.510482
  N      -8.233899     -1.002324      5.103351
  C      -8.803082      0.013514      5.817376
  C     -10.057067      0.525230      5.401178
  C     -10.633694      1.579464      6.075935
  C      -9.981333      2.164728      7.185843
  C      -8.762169      1.682349      7.616092
  C      -8.152341      0.590004      6.952742
  H      -4.256102      5.928448      7.882633
  H      -4.550745      4.946005      9.348424
  H      -4.910446      2.901284      7.963553
  H      -6.627080      4.815793      6.508992
  H      -3.741635      0.595297      4.745407
  H      -7.395643      0.490012      2.006844
  H      -9.410486      1.937659      1.660565
  H      -9.747942      3.951777      3.094020
  H      -8.104421      4.521246      4.850737
  H      -1.415907      2.788017      2.870433
  H      -2.964531      2.132472      3.349335
  H      -0.392465      0.631419      4.126099
  H      -1.328907     -1.318294      3.197993
  H      -4.672815      1.313599     -0.025785
  H      -6.868264     -2.623219      0.856150
  H      -6.514600     -4.501755      2.464479
  H      -4.539461     -4.490991      3.985742
  H      -2.914591     -2.629947      3.911435
  H      -3.302525     -0.768840      7.959850
  H      -4.243516     -0.019501      6.692285
  H      -4.451035      0.932338      9.611531
  H      -6.788950      0.871357      9.324743
  H      -6.549439     -2.171803      4.916563
  H     -10.523603      0.077047      4.523453
  H     -11.591818      1.981216      5.742602
  H     -10.443132      3.010290      7.697833
  H      -8.257679      2.157520      8.457381
  N      -2.968445      4.881125      5.547110
  N      -3.054979      5.851650      4.998886
91
Coordinates from ORCA-job orca E -6254.284236949438
  N      -2.861631      4.359457      8.160154
  Mo     -2.895098      2.976811      6.645356
  N      -2.765028      1.230972      7.602546
  C      -1.503215      0.863803      8.229352
  C      -0.756490      2.117900      8.644283
  N      -0.765347      3.088171      7.518696
  C      -0.495596      4.472970      7.988473
  C      -1.710201      4.988263      8.743395
  C       0.218058      2.716427      6.467441
  C      -0.333115      3.156074      5.128584
  N      -1.680581      2.626719      4.985899
  H      -1.757028      6.092417      8.661347
  H      -1.639531      4.761178      9.829412
  H      -0.330502      5.082590      7.090099
  H       0.426828      4.493430      8.595338
  H       0.330585      2.779096      4.330639
  H      -0.309485      4.264358      5.036998
  H       0.318822      1.622792      6.462607
  H       1.202340      3.157936      6.703001
  H      -1.669046      0.243489      9.128616
  H      -0.887022      0.246386      7.540622
  H      -1.282661      2.588987      9.484475
  H       0.281387      1.900745      8.953093
  C      -4.183838      4.906160      8.281256
  C      -4.813198      3.847669      7.413744
  C      -5.864257      4.020015      6.440327
  C      -5.795717      3.097486      5.426608
  N      -4.613011      2.326692      5.429717
  C      -4.604223      1.219531      4.641304
  N      -5.510361      0.839468      3.772740
  C      -6.597846      1.672899      3.593458
  C      -7.540767      1.360643      2.594662
  C      -8.653189      2.166873      2.404397
  C      -8.854000      3.295642      3.216091
  C      -7.939387      3.611882      4.212349
  C      -6.795266      2.817147      4.410953
  C      -1.913805      2.146975      3.622762
  C      -1.317181      0.767067      3.517366
  C      -1.833779     -0.348264      2.962954
  C      -3.062697     -0.421220      2.171599
  N      -3.347887      0.588845      1.348908
  C      -4.485825      0.484520      0.615689
  N      -5.342185     -0.519308      0.579788
  C      -5.083795     -1.556032      1.430851
  C      -5.994064     -2.640134      1.495090
  C      -5.783159     -3.671022      2.388316
  C      -4.658497     -3.659977      3.246538
  C      -3.750501     -2.620787      3.194931
  C      -3.935744     -1.555248      2.281586
  C      -3.781243      0.176914      7.685743
  C      -4.833595      0.523683      8.695191
  C      -6.172831      0.495651      8.531868
  C      -6.892392      0.030014      7.346408
  N      -6.357214     -0.954054      6.617888
  C      -7.053806     -1.382990      5.534684
  N      -8.247383     -0.989841      5.134354
  C      -8.811324      0.028765      5.848251
  C     -10.066576      0.540540      5.436852
  C     -10.637483      1.599257      6.109385
  C      -9.977777      2.188901      7.212948
  C      -8.757240      1.706313      7.639119
  C      -8.152926      0.609536      6.978117
  H      -4.261705      5.925140      7.844211
  H      -4.562829      4.968246      9.325986
  H      -4.926798      2.903043      7.983519
  H      -6.644603      4.778434      6.513383
  H      -3.727756      0.576309      4.749047
  H      -7.363282      0.477044      1.981535
  H      -9.377933      1.921042      1.626118
  H      -9.734451      3.923728      3.068341
  H      -8.106196      4.485327      4.844840
  H      -1.439620      2.826004      2.884191
  H      -2.976046      2.139464      3.357836
  H      -0.376186      0.651028      4.067357
  H      -1.308421     -1.293186      3.131074
  H      -4.704448      1.339501     -0.034073
  H      -6.865001     -2.617265      0.838347
  H      -6.495971     -4.495733      2.445456
  H      -4.517886     -4.474510      3.959532
  H      -2.900001     -2.608474      3.877589
  H      -3.301171     -0.777388      7.972597
  H      -4.250450     -0.019317      6.715316
  H      -4.446136      0.922509      9.639692
  H      -6.787337      0.890954      9.344302
  H      -6.560304     -2.157066      4.938457
  H     -10.539554      0.089726      4.563756
  H     -11.596796      2.001063      5.779751
  H     -10.435019      3.037817      7.723556
  H      -8.250546      2.186263      8.476775
  N      -2.980269      4.851172      5.522941
  N      -3.073606      5.812522      4.960906
91
Coordinates from ORCA-job orca E -6254.284613391258
  N      -2.852459      4.378812      8.145567
  Mo     -2.893995      2.969712      6.652874
  N      -2.782745      1.239582      7.633116
  C      -1.531107      0.872726      8.281509
  C      -0.773565      2.126012      8.678175
  N      -0.766166      3.075048      7.535239
  C      -0.484998      4.465415      7.980046
  C      -1.696601      5.006450      8.719761
  C       0.220452      2.674665      6.499258
  C      -0.314529      3.099425      5.149890
  N      -1.668683      2.589132      5.005693
  H      -1.731071      6.109459      8.615562
  H      -1.630666      4.800782      9.810209
  H      -0.308569      5.056481      7.071530
  H       0.434006      4.488051      8.591865
  H       0.349108      2.697305      4.364170
  H      -0.271568      4.205459      5.037162
  H       0.311477      1.580371      6.513146
  H       1.207661      3.110802      6.732695
  H      -1.711798      0.273496      9.191828
  H      -0.916385      0.234749      7.610877
  H      -1.297648      2.616457      9.508604
  H       0.260005      1.902176      8.995567
  C      -4.170599      4.939437      8.248394
  C      -4.801411      3.863332      7.402279
  C      -5.853505      4.021495      6.423930
  C      -5.786760      3.089555      5.420688
  N      -4.601114      2.322025      5.421336
  C      -4.593530      1.207720      4.641934
  N      -5.506566      0.814499      3.786298
  C      -6.599636      1.640519      3.610034
  C      -7.551111      1.313918      2.624085
  C      -8.668301      2.113753      2.438442
  C      -8.866831      3.249504      3.241411
  C      -7.943479      3.579573      4.224277
  C      -6.794034      2.792167      4.416932
  C      -1.910190      2.156791      3.626957
  C      -1.302740      0.785371      3.478071
  C      -1.819089     -0.323531      2.911140
  C      -3.055848     -0.397894      2.135671
  N      -3.357824      0.621806      1.331406
  C      -4.502214      0.516585      0.606993
  N      -5.345888     -0.496765      0.558295
  C      -5.069578     -1.544333      1.391937
  C      -5.968648     -2.637161      1.447828
  C      -5.743292     -3.675558      2.329482
  C      -4.615108     -3.661763      3.182495
  C      -3.716272     -2.613740      3.136347
  C      -3.916009     -1.541941      2.235283
  C      -3.798858      0.184093      7.713043
  C      -4.852454      0.532327      8.720452
  C      -6.190745      0.510107      8.547947
  C      -6.909079      0.045816      7.359616
  N      -6.372918     -0.934983      6.627500
  C      -7.072419     -1.363864      5.545958
  N      -8.270430     -0.975925      5.152376
  C      -8.834753      0.043138      5.867603
  C     -10.094006      0.550496      5.464681
  C     -10.660411      1.611927      6.137240
  C      -9.993378      2.208190      7.231531
  C      -8.769683      1.727967      7.652261
  C      -8.170044      0.626749      6.993252
  H      -4.239073      5.947961      7.785757
  H      -4.554579      5.029323      9.289474
  H      -4.939390      2.939092      7.998227
  H      -6.641590      4.772469      6.497750
  H      -3.711376      0.572356      4.746871
  H      -7.376533      0.426494      2.015732
  H      -9.398620      1.856901      1.669414
  H      -9.751662      3.871641      3.097612
  H      -8.106072      4.457257      4.852291
  H      -1.449537      2.862350      2.905222
  H      -2.974400      2.148471      3.370980
  H      -0.352537      0.665393      4.009111
  H      -1.280684     -1.264099      3.054643
  H      -4.737738      1.380545     -0.025945
  H      -6.843740     -2.614695      0.795974
  H      -6.446827     -4.508646      2.382139
  H      -4.462870     -4.481343      3.886910
  H      -2.863015     -2.601167      3.815621
  H      -3.318000     -0.770568      7.996223
  H      -4.265985     -0.007120      6.741098
  H      -4.468421      0.928775      9.667285
  H      -6.810862      0.908061      9.354731
  H      -6.577232     -2.133504      4.943246
  H     -10.574721      0.094879      4.598515
  H     -11.622791      2.011251      5.813062
  H     -10.446906      3.060454      7.740218
  H      -8.257880      2.213062      8.483654
  N      -2.965030      4.827630      5.490720
  N      -3.053176      5.777385      4.911277
91
Coordinates from ORCA-job orca E -6254.284609885949
  N      -2.830830      4.409596      8.120308
  Mo     -2.873483      2.970485      6.655935
  N      -2.790886      1.258873      7.666786
  C      -1.552983      0.895160      8.343078
  C      -0.785416      2.148027      8.721528
  N      -0.752765      3.070670      7.558352
  C      -0.460844      4.467178      7.973782
  C      -1.673139      5.038293      8.688571
  C       0.241573      2.634781      6.545475
  C      -0.270507      3.042034      5.182764
  N      -1.631507      2.551197      5.027911
  H      -1.694171      6.138708      8.556949
  H      -1.617939      4.859340      9.783980
  H      -0.266860      5.035184      7.054564
  H       0.450897      4.494570      8.595920
  H       0.395909      2.618111      4.411213
  H      -0.209789      4.144778      5.051596
  H       0.318172      1.540310      6.582625
  H       1.231697      3.062427      6.781334
  H      -1.752849      0.320660      9.265311
  H      -0.936661      0.234599      7.696253
  H      -1.312062      2.661323      9.536077
  H       0.241112      1.916610      9.055494
  C      -4.144132      4.985574      8.197506
  C      -4.777839      3.892400      7.374867
  C      -5.820997      4.026618      6.380088
  C      -5.757142      3.063032      5.408347
  N      -4.581576      2.281435      5.443744
  C      -4.584898      1.138480      4.705490
  N      -5.498749      0.725457      3.859186
  C      -6.583285      1.556686      3.651398
  C      -7.537842      1.204445      2.675982
  C      -8.647669      2.007375      2.463773
  C      -8.836242      3.172564      3.226785
  C      -7.908697      3.528485      4.196509
  C      -6.766875      2.737822      4.415495
  C      -1.873822      2.173193      3.632396
  C      -1.288860      0.798657      3.438375
  C      -1.835441     -0.287790      2.858950
  C      -3.095179     -0.331608      2.120108
  N      -3.415620      0.721133      1.366551
  C      -4.579128      0.646903      0.670242
  N      -5.425807     -0.362579      0.602567
  C      -5.131621     -1.443035      1.388446
  C      -6.033534     -2.533228      1.426967
  C      -5.791417     -3.602458      2.266501
  C      -4.643114     -3.622320      3.091837
  C      -3.739837     -2.576979      3.059058
  C      -3.957350     -1.474127      2.201221
  C      -3.809099      0.205640      7.749970
  C      -4.870680      0.569264      8.742265
  C      -6.206848      0.541710      8.554632
  C      -6.913696      0.046544      7.369437
  N      -6.367554     -0.946136      6.661941
  C      -7.063119     -1.408620      5.591678
  N      -8.266830     -1.044796      5.191246
  C      -8.841990     -0.011301      5.880422
  C     -10.109461      0.469842      5.471590
  C     -10.681408      1.547076      6.114956
  C     -10.012985      2.185666      7.182857
  C      -8.782051      1.729335      7.611800
  C      -8.177916      0.610494      6.985872
  H      -4.201447      5.981126      7.705904
  H      -4.534358      5.107966      9.232636
  H      -4.936354      2.988541      7.992751
  H      -6.613072      4.775260      6.432996
  H      -3.712111      0.495254      4.840897
  H      -7.372289      0.295651      2.097799
  H      -9.380073      1.729310      1.704264
  H      -9.715276      3.797063      3.062584
  H      -8.060446      4.430029      4.792400
  H      -1.406259      2.895198      2.932584
  H      -2.938091      2.187939      3.379468
  H      -0.331454      0.651448      3.945785
  H      -1.306025     -1.236359      2.964222
  H      -4.827652      1.534579      0.076792
  H      -6.923848     -2.484631      0.797299
  H      -6.495846     -4.435637      2.307277
  H      -4.476376     -4.465729      3.763601
  H      -2.870059     -2.591183      3.717086
  H      -3.332254     -0.745826      8.050078
  H      -4.266979      0.004822      6.776265
  H      -4.497544      0.982892      9.685898
  H      -6.839162      0.951731      9.345115
  H      -6.560802     -2.187082      5.005407
  H     -10.593089     -0.018916      4.625368
  H     -11.650642      1.926204      5.785350
  H     -10.470586      3.050976      7.665694
  H      -8.266290      2.245119      8.421775
  N      -2.920167      4.804606      5.451400
  N      -2.997657      5.740462      4.851999
91
Coordinates from ORCA-job orca E -6254.285353439906
  N      -2.810581      4.441450      8.106900
  Mo     -2.872131      2.971678      6.675765
  N      -2.804483      1.281784      7.721631
  C      -1.571215      0.922448      8.409912
  C      -0.790173      2.175605      8.756784
  N      -0.748990      3.068991      7.571069
  C      -0.440965      4.471884      7.951666
  C      -1.644922      5.071937      8.656905
  C       0.237810      2.597518      6.566673
  C      -0.269871      2.981778      5.196367
  N      -1.637835      2.506582      5.050656
  H      -1.655692      6.169052      8.500552
  H      -1.587349      4.917768      9.756018
  H      -0.243986      5.015284      7.018415
  H       0.473271      4.504659      8.570097
  H       0.390976      2.532147      4.434557
  H      -0.193766      4.080328      5.040598
  H       0.300246      1.503542      6.628486
  H       1.233415      3.017832      6.791675
  H      -1.779408      0.372856      9.345678
  H      -0.961562      0.239290      7.780273
  H      -1.309481      2.714553      9.559083
  H       0.234616      1.941100      9.095054
  C      -4.117482      5.030583      8.180562
  C      -4.767200      3.928581      7.384366
  C      -5.809718      4.057614      6.388143
  C      -5.742223      3.086718      5.427016
  N      -4.556135      2.322482      5.467405
  C      -4.539653      1.181409      4.727118
  N      -5.449341      0.752700      3.883921
  C      -6.551648      1.563335      3.679625
  C      -7.509256      1.188618      2.714945
  C      -8.634137      1.971768      2.504097
  C      -8.834912      3.140579      3.257745
  C      -7.905755      3.518255      4.218273
  C      -6.750266      2.745849      4.437310
  C      -1.890862      2.151926      3.650543
  C      -1.315064      0.776012      3.436497
  C      -1.865502     -0.298469      2.837860
  C      -3.118436     -0.324469      2.085470
  N      -3.431863      0.743676      1.350333
  C      -4.582085      0.679557      0.633301
  N      -5.422046     -0.331922      0.528782
  C      -5.137503     -1.427280      1.296924
  C      -6.035202     -2.521070      1.296669
  C      -5.804385     -3.606022      2.118452
  C      -4.669668     -3.640439      2.961283
  C      -3.769557     -2.592149      2.965326
  C      -3.978717     -1.470528      2.129703
  C      -3.826601      0.233782      7.817286
  C      -4.892451      0.618037      8.797143
  C      -6.226786      0.588068      8.598490
  C      -6.917313      0.064348      7.417064
  N      -6.356581     -0.940650      6.739279
  C      -7.037258     -1.435240      5.674297
  N      -8.242674     -1.097283      5.258197
  C      -8.834383     -0.055511      5.918997
  C     -10.104797      0.398590      5.489318
  C     -10.694618      1.485241      6.100207
  C     -10.039110      2.161928      7.153359
  C      -8.804520      1.732994      7.600649
  C      -8.184160      0.604696      7.009858
  H      -4.168032      6.016278      7.669782
  H      -4.501108      5.177149      9.214472
  H      -4.938131      3.039648      8.022918
  H      -6.604168      4.802921      6.436251
  H      -3.652582      0.554988      4.857729
  H      -7.334849      0.277635      2.143089
  H      -9.368378      1.675252      1.752689
  H      -9.725446      3.749928      3.094683
  H      -8.068064      4.421987      4.807641
  H      -1.418144      2.881269      2.960539
  H      -2.955824      2.178182      3.401842
  H      -0.358292      0.613871      3.942458
  H      -1.340490     -1.252316      2.931371
  H      -4.824681      1.578334      0.057031
  H      -6.914078     -2.462565      0.653116
  H      -6.506497     -4.441465      2.129889
  H      -4.510881     -4.497834      3.617241
  H      -2.909606     -2.617903      3.635671
  H      -3.354051     -0.715293      8.132143
  H      -4.281358      0.021722      6.844544
  H      -4.526057      1.048578      9.735516
  H      -6.868033      1.011101      9.375055
  H      -6.520766     -2.219288      5.110328
  H     -10.576799     -0.118391      4.653114
  H     -11.667067      1.842313      5.755605
  H     -10.509354      3.034723      7.609573
  H      -8.298071      2.278817      8.396966
  N      -2.907441      4.777272      5.428830
  N      -2.979656      5.701281      4.806839
91
Coordinates from ORCA-job orca E -6254.282071651176
  N      -2.789760      4.450673      8.098135
  Mo     -2.871533      2.966371      6.687349
  N      -2.815431      1.288103      7.752943
  C      -1.583551      0.925222      8.444316
  C      -0.790831      2.176835      8.769435
  N      -0.747751      3.054499      7.569860
  C      -0.422038      4.459779      7.929723
  C      -1.616679      5.081392      8.633997
  C       0.225566      2.560597      6.560393
  C      -0.283400      2.931466      5.186676
  N      -1.656418      2.463632      5.052564
  H      -1.621545      6.175934      8.464289
  H      -1.554543      4.941388      9.735084
  H      -0.225661      4.987542      6.987405
  H       0.498143      4.489598      8.540327
  H       0.373122      2.461778      4.432834
  H      -0.198062      4.026281      5.008841
  H       0.271405      1.466690      6.636005
  H       1.227483      2.969923      6.777011
  H      -1.798162      0.388250      9.386726
  H      -0.981877      0.227067      7.822390
  H      -1.302283      2.734638      9.563390
  H       0.235022      1.940772      9.107337
  C      -4.089951      5.047387      8.186987
  C      -4.766833      3.948332      7.412080
  C      -5.832363      4.102457      6.442094
  C      -5.830303      3.133727      5.477518
  N      -4.682800      2.311469      5.486554
  C      -4.724846      1.199480      4.706305
  N      -5.667614      0.838119      3.869634
  C      -6.745511      1.694961      3.715050
  C      -7.746151      1.383505      2.770650
  C      -8.845911      2.214645      2.602217
  C      -8.975592      3.374279      3.380176
  C      -8.004184      3.692108      4.322943
  C      -6.875678      2.865742      4.502380
  C      -1.917949      2.100352      3.655738
  C      -1.298703      0.741063      3.455909
  C      -1.791596     -0.357149      2.847005
  C      -3.005529     -0.429381      2.032331
  N      -3.317686      0.613264      1.259543
  C      -4.401787      0.480777      0.458114
  N      -5.175904     -0.576318      0.305731
  C      -4.899761     -1.643442      1.113171
  C      -5.734758     -2.785226      1.058448
  C      -5.514403     -3.846665      1.911099
  C      -4.447265     -3.814886      2.837314
  C      -3.605972     -2.721582      2.895464
  C      -3.812505     -1.616447      2.035291
  C      -3.850588      0.255470      7.846797
  C      -4.911566      0.660326      8.824122
  C      -6.245792      0.659532      8.623543
  C      -6.933387      0.169072      7.430643
  N      -6.360425     -0.804363      6.717360
  C      -7.039909     -1.281117      5.643596
  N      -8.264889     -0.975121      5.265180
  C      -8.873777      0.020981      5.972999
  C     -10.174227      0.432365      5.589841
  C     -10.788739      1.482569      6.238893
  C     -10.123963      2.167283      7.285065
  C      -8.861494      1.776480      7.686712
  C      -8.219522      0.683999      7.057544
  H      -4.137668      6.030045      7.672234
  H      -4.457558      5.203507      9.223852
  H      -4.938455      3.066553      8.060728
  H      -6.608709      4.861635      6.517991
  H      -3.855000      0.537521      4.787508
  H      -7.627953      0.477802      2.180072
  H      -9.614722      1.963922      1.866688
  H      -9.845497      4.024023      3.251171
  H      -8.116527      4.589871      4.930543
  H      -1.453693      2.840716      2.968558
  H      -2.983621      2.099458      3.407236
  H      -0.345320      0.612392      3.981886
  H      -1.236318     -1.294726      2.965283
  H      -4.645015      1.357744     -0.146684
  H      -6.560202     -2.782014      0.347290
  H      -6.172046     -4.715973      1.878331
  H      -4.296215     -4.658638      3.512871
  H      -2.797058     -2.695249      3.625379
  H      -3.392371     -0.701735      8.159800
  H      -4.309561      0.052513      6.872810
  H      -4.538931      1.073112      9.768171
  H      -6.880817      1.075153      9.410702
  H      -6.503703     -2.020065      5.042572
  H     -10.652535     -0.089390      4.758947
  H     -11.785724      1.804726      5.933131
  H     -10.611828      3.012435      7.772738
  H      -8.350081      2.328797      8.476838
  N      -2.906522      4.752242      5.419069
  N      -2.977572      5.671721      4.782765
91
Coordinates from ORCA-job orca E -6254.285942934139
  N      -2.819012      4.470796      8.072617
  Mo     -2.873137      2.958528      6.691147
  N      -2.820767      1.299961      7.785825
  C      -1.596819      0.957321      8.499849
  C      -0.814691      2.218949      8.813002
  N      -0.760120      3.074227      7.598898
  C      -0.448172      4.488022      7.935304
  C      -1.655873      5.118093      8.609494
  C       0.229004      2.563844      6.614460
  C      -0.263550      2.909859      5.228615
  N      -1.634409      2.438874      5.082095
  H      -1.662962      6.208906      8.414903
  H      -1.607994      5.002805      9.713990
  H      -0.240165      4.998190      6.985651
  H       0.461687      4.537146      8.559397
  H       0.402368      2.433661      4.487499
  H      -0.179517      4.002726      5.038655
  H       0.278798      1.471627      6.711105
  H       1.226841      2.980733      6.835051
  H      -1.820003      0.439630      9.450447
  H      -0.983236      0.250338      7.900624
  H      -1.338634      2.786213      9.592178
  H       0.206567      1.992334      9.167885
  C      -4.125894      5.060514      8.125308
  C      -4.777534      3.932867      7.367052
  C      -5.818886      4.030484      6.364386
  C      -5.756114      3.030738      5.431253
  N      -4.569160      2.266181      5.479975
  C      -4.544832      1.125342      4.739400
  N      -5.457757      0.683326      3.907776
  C      -6.575181      1.477566      3.714985
  C      -7.548169      1.076373      2.776647
  C      -8.684085      1.844827      2.568669
  C      -8.879644      3.027961      3.299423
  C      -7.936807      3.431614      4.236546
  C      -6.772201      2.671153      4.455317
  C      -1.889397      2.101894      3.676762
  C      -1.305438      0.732814      3.443085
  C      -1.836253     -0.331574      2.808807
  C      -3.066110     -0.347459      2.017571
  N      -3.376544      0.740534      1.309849
  C      -4.490162      0.675449      0.539368
  N      -5.296674     -0.353173      0.359576
  C      -5.019950     -1.467796      1.101343
  C      -5.886263     -2.584225      1.018358
  C      -5.663993     -3.693098      1.808934
  C      -4.566998     -3.732459      2.700212
  C      -3.696425     -2.663413      2.784602
  C      -3.900108     -1.513769      1.984916
  C      -3.848068      0.258721      7.886155
  C      -4.910663      0.656934      8.864612
  C      -6.246227      0.655142      8.668540
  C      -6.949039      0.177701      7.476011
  N      -6.398253     -0.799510      6.751171
  C      -7.090020     -1.247793      5.672898
  N      -8.304624     -0.901916      5.292845
  C      -8.890191      0.104595      6.009176
  C     -10.173880      0.562378      5.624808
  C     -10.759855      1.619777      6.288661
  C     -10.084216      2.265010      7.350088
  C      -8.836407      1.830743      7.752593
  C      -8.222378      0.729504      7.108409
  H      -4.176100      6.029002      7.582650
  H      -4.510363      5.241166      9.153296
  H      -4.951172      3.066958      8.036023
  H      -6.620961      4.767968      6.397043
  H      -3.645943      0.512214      4.856651
  H      -7.378842      0.154354      2.222277
  H      -9.430362      1.525959      1.838216
  H      -9.777800      3.627445      3.138628
  H      -8.098452      4.346812      4.807696
  H      -1.416410      2.844615      2.999967
  H      -2.955264      2.125524      3.429411
  H      -0.353369      0.563901      3.957010
  H      -1.305896     -1.284754      2.889546
  H      -4.730252      1.589069     -0.013221
  H      -6.735428     -2.524403      0.336659
  H      -6.343698     -4.545130      1.756123
  H      -4.414257     -4.611451      3.328588
  H      -2.864993     -2.693073      3.489530
  H      -3.383198     -0.692509      8.206600
  H      -4.303071      0.044790      6.913629
  H      -4.537584      1.071720      9.807481
  H      -6.876128      1.075726      9.455942
  H      -6.575294     -1.997217      5.063801
  H     -10.659769      0.071884      4.780440
  H     -11.743619      1.978573      5.980680
  H     -10.549908      3.117068      7.847822
  H      -8.312876      2.353315      8.553881
  N      -2.901183      4.721700      5.389249
  N      -2.969456      5.626608      4.737160
91
Coordinates from ORCA-job orca E -6254.282615426554
  N      -2.747143      4.548196      8.042506
  Mo     -2.820703      2.994045      6.710434
  N      -2.796404      1.369780      7.856310
  C      -1.587018      1.040512      8.599837
  C      -0.787210      2.298376      8.872566
  N      -0.709053      3.102168      7.626878
  C      -0.374489      4.520180      7.913920
  C      -1.573851      5.191491      8.561805
  C       0.275361      2.532647      6.670376
  C      -0.200047      2.843852      5.270742
  N      -1.582268      2.409110      5.127989
  H      -1.560214      6.275535      8.330345
  H      -1.531324      5.112261      9.669550
  H      -0.153498      4.993922      6.948386
  H       0.531941      4.577305      8.541690
  H       0.455763      2.329683      4.545986
  H      -0.085711      3.928660      5.051198
  H       0.300449      1.443883      6.806613
  H       1.281686      2.934245      6.880424
  H      -1.827400      0.564044      9.566965
  H      -0.976710      0.302607      8.036668
  H      -1.306655      2.902819      9.626645
  H       0.225838      2.066485      9.244241
  C      -4.044475      5.162166      8.068286
  C      -4.706989      4.023317      7.335996
  C      -5.725686      4.104901      6.308148
  C      -5.658769      3.076848      5.406373
  N      -4.482293      2.302950      5.499888
  C      -4.460970      1.127628      4.814307
  N      -5.363882      0.658946      3.985949
  C      -6.462552      1.460398      3.738467
  C      -7.419644      1.029890      2.799354
  C      -8.538667      1.803794      2.538913
  C      -8.734492      3.019635      3.218333
  C      -7.808416      3.450585      4.157689
  C      -6.659443      2.686567      4.427369
  C      -1.861553      2.091483      3.723350
  C      -1.377244      0.688865      3.464307
  C      -2.010406     -0.316418      2.827899
  C      -3.268277     -0.217174      2.091289
  N      -3.525112      0.918210      1.440062
  C      -4.687054      0.978506      0.741973
  N      -5.591597      0.031898      0.580378
  C      -5.364721     -1.132613      1.261165
  C      -6.329961     -2.165485      1.197550
  C      -6.155669     -3.320467      1.933396
  C      -5.013628     -3.486373      2.750951
  C      -4.049636     -2.498766      2.815838
  C      -4.198417     -1.308150      2.067382
  C      -3.815744      0.321411      7.974712
  C      -4.924581      0.739934      8.888861
  C      -6.248520      0.649821      8.642438
  C      -6.872027     -0.011054      7.490683
  N      -6.256154     -1.063178      6.944716
  C      -6.875910     -1.689300      5.912557
  N      -8.074790     -1.438901      5.420316
  C      -8.722725     -0.350690      5.941505
  C      -9.986337      0.013754      5.418207
  C     -10.629885      1.140933      5.884765
  C     -10.034069      1.951046      6.875816
  C      -8.805953      1.614220      7.411031
  C      -8.134400      0.444577      6.976236
  H      -4.075662      6.114739      7.495377
  H      -4.433861      5.381077      9.088364
  H      -4.906551      3.180161      8.029913
  H      -6.517546      4.855907      6.302161
  H      -3.576569      0.509582      4.982519
  H      -7.251403      0.082026      2.285967
  H      -9.272337      1.463252      1.807470
  H      -9.619881      3.622619      3.015924
  H      -7.968655      4.392086      4.687517
  H      -1.362573      2.808416      3.038985
  H      -2.927678      2.179754      3.492831
  H      -0.431143      0.438569      3.954288
  H      -1.557782     -1.309040      2.875083
  H      -4.880707      1.931628      0.237234
  H      -7.212583     -2.005192      0.575792
  H      -6.908456     -4.110154      1.897037
  H      -4.898414     -4.397998      3.339338
  H      -3.183880     -2.626441      3.467254
  H      -3.346002     -0.602975      8.359965
  H      -4.229876      0.047981      6.999986
  H      -4.607913      1.248591      9.805892
  H      -6.934050      1.116566      9.352435
  H      -6.309041     -2.504900      5.446310
  H     -10.407209     -0.603499      4.624561
  H     -11.597468      1.426756      5.468014
  H     -10.544131      2.855432      7.212219
  H      -8.340718      2.263760      8.152117
  N      -2.805454      4.713524      5.352460
  N      -2.852992      5.596832      4.672018
91
Coordinates from ORCA-job orca E -6254.286675611501
  N      -2.744818      4.536963      8.049906
  Mo     -2.840814      2.993709      6.706493
  N      -2.827977      1.360315      7.837788
  C      -1.619612      1.012765      8.575213
  C      -0.807235      2.262751      8.854069
  N      -0.726342      3.076810      7.614152
  C      -0.375116      4.489592      7.909040
  C      -1.564283      5.168429      8.566950
  C       0.247980      2.507368      6.649022
  C      -0.228671      2.833871      5.253869
  N      -1.614017      2.406261      5.110865
  H      -1.543619      6.253495      8.342418
  H      -1.517056      5.081934      9.673940
  H      -0.154066      4.967375      6.945577
  H       0.535570      4.532411      8.532007
  H       0.423182      2.318734      4.526257
  H      -0.108309      3.918606      5.037406
  H       0.262003      1.417178      6.775612
  H       1.258495      2.897293      6.860514
  H      -1.863195      0.532164      9.539971
  H      -1.018381      0.271703      8.005705
  H      -1.318724      2.866540      9.613840
  H       0.205747      2.019730      9.220165
  C      -4.036203      5.159610      8.092810
  C      -4.715677      4.030077      7.362317
  C      -5.751532      4.128892      6.354848
  C      -5.707386      3.107936      5.446219
  N      -4.539361      2.317676      5.518783
  C      -4.546719      1.149552      4.820718
  N      -5.473784      0.699098      4.008431
  C      -6.570855      1.514079      3.790808
  C      -7.560445      1.100276      2.876865
  C      -8.675809      1.889960      2.645281
  C      -8.835842      3.106326      3.330382
  C      -7.878890      3.519846      4.247514
  C      -6.733950      2.738775      4.486728
  C      -1.883344      2.099183      3.701270
  C      -1.340173      0.717191      3.444673
  C      -1.901488     -0.322861      2.797039
  C      -3.141058     -0.305719      2.023879
  N      -3.460160      0.812571      1.369784
  C      -4.591773      0.786324      0.623258
  N      -5.406657     -0.230466      0.414886
  C      -5.118191     -1.378514      1.099895
  C      -5.992236     -2.486347      0.986927
  C      -5.759378     -3.629081      1.725085
  C      -4.646022     -3.709872      2.593404
  C      -3.768696     -2.648836      2.706293
  C      -3.980534     -1.466658      1.958119
  C      -3.861173      0.324319      7.936941
  C      -4.953694      0.742458      8.871844
  C      -6.284543      0.689606      8.649467
  C      -6.953086      0.101427      7.485124
  N      -6.367619     -0.917566      6.850601
  C      -7.033128     -1.473501      5.806588
  N      -8.253027     -1.195858      5.388127
  C      -8.872517     -0.144138      6.006028
  C     -10.162061      0.245146      5.570611
  C     -10.779471      1.344119      6.130620
  C     -10.129927      2.101373      7.131253
  C      -8.876776      1.736106      7.583483
  C      -8.232350      0.591787      7.052406
  H      -4.066390      6.116015      7.526830
  H      -4.412149      5.374196      9.117987
  H      -4.916297      3.187024      8.052715
  H      -6.541209      4.881278      6.371672
  H      -3.665150      0.518502      4.960062
  H      -7.422087      0.150804      2.361317
  H      -9.434588      1.560845      1.933477
  H      -9.718270      3.722484      3.152262
  H      -8.012595      4.460585      4.784351
  H      -1.395276      2.836703      3.030174
  H      -2.949457      2.156956      3.461920
  H      -0.390979      0.513245      3.949758
  H      -1.389637     -1.286277      2.854383
  H      -4.838871      1.724620      0.115252
  H      -6.854825     -2.393541      0.325191
  H      -6.443631     -4.476169      1.649707
  H      -4.484634     -4.614769      3.181447
  H      -2.924691     -2.711511      3.394275
  H      -3.405156     -0.616543      8.298329
  H      -4.286168      0.080647      6.958378
  H      -4.612952      1.215086      9.799640
  H      -6.942494      1.137860      9.396790
  H      -6.487964     -2.250486      5.259755
  H     -10.625006     -0.330499      4.768323
  H     -11.767480      1.650113      5.781659
  H     -10.619482      2.986135      7.541715
  H      -8.371006      2.345085      8.333268
  N      -2.825217      4.723715      5.360346
  N      -2.871392      5.612184      4.686487
91
Coordinates from ORCA-job orca E -6254.287369095540
  N      -2.781274      4.545644      7.999175
  Mo     -2.834097      2.955037      6.713608
  N      -2.818491      1.363224      7.903237
  C      -1.619606      1.055573      8.673906
  C      -0.826334      2.325530      8.915443
  N      -0.737175      3.094990      7.647146
  C      -0.407955      4.523322      7.894381
  C      -1.616293      5.212550      8.508806
  C       0.254824      2.498699      6.715398
  C      -0.201513      2.771397      5.302294
  N      -1.582054      2.330075      5.149986
  H      -1.606366      6.288455      8.243845
  H      -1.584723      5.168900      9.619036
  H      -0.178178      4.967385      6.917044
  H       0.493264      4.600491      8.528175
  H       0.466627      2.235973      4.604270
  H      -0.084786      3.848908      5.049240
  H       0.273083      1.413970      6.881263
  H       1.259488      2.902916      6.928207
  H      -1.876511      0.611511      9.652930
  H      -1.002172      0.297295      8.145356
  H      -1.356243      2.952110      9.643189
  H       0.184537      2.110234      9.305422
  C      -4.083411      5.147452      8.005509
  C      -4.739978      3.981074      7.311246
  C      -5.771944      4.029651      6.292015
  C      -5.712677      2.983916      5.410784
  N      -4.524572      2.224868      5.487938
  C      -4.496133      1.053892      4.796004
  N      -5.412753      0.568604      3.993961
  C      -6.537898      1.345651      3.777801
  C      -7.517460      0.893902      2.870788
  C      -8.657465      1.646761      2.631623
  C      -8.849723      2.866820      3.299717
  C      -7.901206      3.320714      4.207740
  C      -6.733112      2.575177      4.458119
  C      -1.839467      2.041564      3.734053
  C      -1.321803      0.653529      3.462498
  C      -1.892753     -0.356483      2.775150
  C      -3.106623     -0.280470      1.964846
  N      -3.375183      0.863423      1.331694
  C      -4.482263      0.889470      0.550504
  N      -5.319775     -0.096668      0.292263
  C      -5.084768     -1.269721      0.953832
  C      -5.985847     -2.348385      0.784043
  C      -5.808453     -3.516867      1.495566
  C      -4.724034     -3.654658      2.392075
  C      -3.820432     -2.623908      2.560236
  C      -3.976141     -1.415037      1.841164
  C      -3.851453      0.331333      8.029026
  C      -4.937779      0.780553      8.957740
  C      -6.269158      0.753425      8.737134
  C      -6.945010      0.201784      7.562327
  N      -6.360549     -0.791245      6.887256
  C      -7.030871     -1.308756      5.826891
  N      -8.257487     -1.026459      5.432446
  C      -8.878268     -0.007157      6.098929
  C     -10.179590      0.381560      5.698406
  C     -10.800539      1.452533      6.306503
  C     -10.143057      2.180567      7.325180
  C      -8.879654      1.812966      7.744394
  C      -8.231031      0.697841      7.160988
  H      -4.122641      6.082667      7.406345
  H      -4.474373      5.391496      9.017798
  H      -4.933282      3.161018      8.032067
  H      -6.576417      4.764867      6.286882
  H      -3.586882      0.458893      4.923111
  H      -7.353146     -0.057561      2.367145
  H      -9.408892      1.287089      1.925789
  H      -9.750233      3.455863      3.113927
  H      -8.061964      4.264792      4.729926
  H      -1.327508      2.780172      3.080528
  H      -2.901321      2.121927      3.480752
  H      -0.391124      0.413214      3.987517
  H      -1.412523     -1.338045      2.827248
  H      -4.688536      1.847576      0.063946
  H      -6.824851     -2.212403      0.100898
  H      -6.514564     -4.340005      1.376257
  H      -4.606874     -4.580208      2.958020
  H      -2.999303     -2.730301      3.269349
  H      -3.398576     -0.603577      8.410089
  H      -4.280408      0.066869      7.056929
  H      -4.588447      1.252691      9.882613
  H      -6.918405      1.206842      9.490217
  H      -6.488490     -2.066032      5.252269
  H     -10.650814     -0.172816      4.885564
  H     -11.798249      1.757562      5.985926
  H     -10.635927      3.043178      7.776299
  H      -8.370284      2.398576      8.510722
  N      -2.826732      4.634034      5.308547
  N      -2.876813      5.498797      4.601130
91
Coordinates from ORCA-job orca E -6254.288318910157
  N      -2.758769      4.580966      7.969918
  Mo     -2.827071      2.961873      6.721766
  N      -2.830718      1.395569      7.945790
  C      -1.642062      1.096692      8.734734
  C      -0.835978      2.363885      8.945547
  N      -0.733539      3.097630      7.657291
  C      -0.385525      4.527144      7.868826
  C      -1.586278      5.247073      8.463449
  C       0.250522      2.461642      6.743250
  C      -0.194560      2.709416      5.322227
  N      -1.581972      2.289478      5.172262
  H      -1.563152      6.315387      8.170219
  H      -1.556601      5.232076      9.574306
  H      -0.147878      4.943915      6.881595
  H       0.515107      4.607910      8.502794
  H       0.466937      2.146370      4.639185
  H      -0.058655      3.778522      5.043851
  H       0.246579      1.381056      6.934934
  H       1.262108      2.850894      6.950576
  H      -1.911468      0.683653      9.724102
  H      -1.029613      0.316209      8.233419
  H      -1.362387      3.016175      9.652852
  H       0.170680      2.148300      9.345954
  C      -4.055308      5.194648      7.964147
  C      -4.723327      4.016496      7.300477
  C      -5.755029      4.043775      6.280478
  C      -5.689640      2.975285      5.428461
  N      -4.505751      2.215779      5.547153
  C      -4.468403      1.027078      4.887429
  N      -5.374518      0.519246      4.087050
  C      -6.497991      1.288445      3.837355
  C      -7.469065      0.806920      2.936519
  C      -8.607474      1.550170      2.663819
  C      -8.805742      2.790993      3.290898
  C      -7.865392      3.274558      4.192332
  C      -6.700058      2.538152      4.477455
  C      -1.848191      2.015961      3.755136
  C      -1.341570      0.630253      3.459822
  C      -1.923441     -0.359157      2.752705
  C      -3.144218     -0.253312      1.957186
  N      -3.425640      0.920115      1.386237
  C      -4.537650      0.978786      0.614206
  N      -5.367774      0.000136      0.307282
  C      -5.118817     -1.204609      0.904079
  C      -6.010952     -2.280993      0.679212
  C      -5.821672     -3.483922      1.327703
  C      -4.733675     -3.659207      2.213412
  C      -3.837894     -2.631170      2.432963
  C      -4.005749     -1.387104      1.779199
  C      -3.868558      0.370076      8.082540
  C      -4.961061      0.837937      8.993583
  C      -6.290623      0.803964      8.763525
  C      -6.956205      0.221942      7.597237
  N      -6.360080     -0.780451      6.946653
  C      -7.020064     -1.327638      5.894867
  N      -8.247348     -1.063780      5.488364
  C      -8.880573     -0.034846      6.129586
  C     -10.184082      0.333546      5.715927
  C     -10.817435      1.411626      6.298526
  C     -10.170957      2.167498      7.303523
  C      -8.905777      1.820585      7.735403
  C      -8.244351      0.698948      7.178667
  H      -4.088011      6.115083      7.341968
  H      -4.441661      5.467039      8.970815
  H      -4.923575      3.218083      8.041041
  H      -6.559982      4.778667      6.254959
  H      -3.560344      0.437681      5.040565
  H      -7.300854     -0.160857      2.466617
  H      -9.352704      1.167284      1.963821
  H      -9.704307      3.373455      3.078419
  H      -8.031531      4.235305      4.681443
  H      -1.337343      2.759365      3.106546
  H      -2.911322      2.105309      3.510697
  H      -0.410652      0.373242      3.975409
  H      -1.448586     -1.343221      2.773436
  H      -4.753564      1.959465      0.178635
  H      -6.852835     -2.116467      0.005548
  H      -6.520765     -4.306203      1.166367
  H      -4.606943     -4.612225      2.729536
  H      -3.013910     -2.767923      3.133416
  H      -3.421302     -0.558183      8.486087
  H      -4.290582      0.087269      7.112657
  H      -4.618662      1.330601      9.910527
  H      -6.945919      1.274789      9.500134
  H      -6.467160     -2.091328      5.337993
  H     -10.646772     -0.243135      4.913897
  H     -11.817175      1.699774      5.968353
  H     -10.673918      3.034813      7.734209
  H      -8.404510      2.426464      8.490959
  N      -2.803778      4.607079      5.279908
  N      -2.844832      5.454786      4.553633
91
Coordinates from ORCA-job orca E -6254.289110461364
  N      -2.741902      4.615168      7.942378
  Mo     -2.810330      2.972854      6.728130
  N      -2.824548      1.427849      7.981338
  C      -1.647498      1.145602      8.792255
  C      -0.837383      2.414387      8.976585
  N      -0.724304      3.115905      7.671320
  C      -0.368070      4.547454      7.852310
  C      -1.568005      5.286911      8.425782
  C       0.256697      2.448214      6.776403
  C      -0.174755      2.667283      5.346418
  N      -1.566588      2.265247      5.195364
  H      -1.538382      6.348172      8.108056
  H      -1.543552      5.296585      9.536740
  H      -0.124177      4.942135      6.857514
  H       0.529658      4.636662      8.488874
  H       0.483036      2.077764      4.681541
  H      -0.022464      3.727309      5.041867
  H       0.236350      1.372549      6.993743
  H       1.272575      2.827615      6.980501
  H      -1.929761      0.761126      9.789488
  H      -1.033471      0.348534      8.320822
  H      -1.366629      3.086376      9.663274
  H       0.165458      2.205448      9.388792
  C      -4.037658      5.229213      7.922182
  C      -4.704604      4.036721      7.281542
  C      -5.730531      4.041600      6.256066
  C      -5.660537      2.956707      5.423841
  N      -4.484467      2.188421      5.566754
  C      -4.448991      0.987679      4.928437
  N      -5.351772      0.470168      4.129948
  C      -6.467720      1.242024      3.859708
  C      -7.438236      0.745706      2.967700
  C      -8.569503      1.490300      2.673731
  C      -8.762031      2.745720      3.274343
  C      -7.824239      3.241727      4.170925
  C      -6.665820      2.505052      4.475469
  C      -1.840416      1.995058      3.779303
  C      -1.360660      0.602782      3.473543
  C      -1.961894     -0.366076      2.753564
  C      -3.179949     -0.224611      1.960800
  N      -3.445672      0.967748      1.422475
  C      -4.554539      1.063751      0.649634
  N      -5.394392      0.104560      0.308960
  C      -5.160787     -1.120179      0.869844
  C      -6.062882     -2.179758      0.604782
  C      -5.890888     -3.404794      1.216064
  C      -4.811665     -3.618975      2.104417
  C      -3.906846     -2.608045      2.362829
  C      -4.055225     -1.342243      1.746765
  C      -3.861497      0.400494      8.120570
  C      -4.968030      0.873910      9.011611
  C      -6.297424      0.820394      8.777437
  C      -6.961219      0.194755      7.631881
  N      -6.367145     -0.833458      7.020628
  C      -7.026184     -1.420640      5.990245
  N      -8.250972     -1.166855      5.569307
  C      -8.882338     -0.110860      6.167245
  C     -10.181024      0.248915      5.731704
  C     -10.814106      1.348762      6.272176
  C     -10.171463      2.136641      7.253935
  C      -8.910042      1.801054      7.705171
  C      -8.248473      0.658185      7.192420
  H      -4.070150      6.137481      7.281759
  H      -4.425322      5.521461      8.923347
  H      -4.904975      3.254341      8.039895
  H      -6.533914      4.778696      6.208995
  H      -3.550027      0.393052      5.104775
  H      -7.276298     -0.235992      2.523811
  H      -9.314043      1.097178      1.979700
  H      -9.655133      3.329347      3.046353
  H      -7.987795      4.213595      4.639995
  H      -1.322389      2.731964      3.128832
  H      -2.903382      2.101463      3.540136
  H      -0.439431      0.319807      3.993008
  H      -1.508565     -1.359553      2.763569
  H      -4.755524      2.059767      0.240718
  H      -6.898047     -1.985039     -0.069958
  H      -6.597108     -4.214506      1.023318
  H      -4.698477     -4.589061      2.591297
  H      -3.089735     -2.776671      3.064821
  H      -3.415184     -0.518767      8.545850
  H      -4.269462      0.097711      7.151209
  H      -4.636519      1.394042      9.917479
  H      -6.955533      1.313404      9.495700
  H      -6.469149     -2.197702      5.455316
  H     -10.638836     -0.352893      4.946075
  H     -11.810182      1.629206      5.925020
  H     -10.674117      3.020377      7.650388
  H      -8.411667      2.431070      8.441992
  N      -2.777223      4.589090      5.259165
  N      -2.811772      5.423009      4.517542
91
Coordinates from ORCA-job orca E -6254.289919488468
  N      -2.746509      4.633704      7.902533
  Mo     -2.804428      2.960442      6.732886
  N      -2.825000      1.446759      8.024661
  C      -1.658670      1.189193      8.858309
  C      -0.850169      2.463373      9.011058
  N      -0.727962      3.126712      7.686562
  C      -0.371467      4.562676      7.828380
  C      -1.575057      5.319507      8.372762
  C       0.255989      2.429004      6.818245
  C      -0.159595      2.610540      5.378724
  N      -1.553422      2.217665      5.222756
  H      -1.543089      6.370758      8.023633
  H      -1.557317      5.362223      9.482999
  H      -0.121348      4.928731      6.824226
  H       0.522057      4.669255      8.468146
  H       0.499795      1.996225      4.737834
  H       0.005109      3.660056      5.044997
  H       0.225909      1.360032      7.065539
  H       1.272923      2.806489      7.020659
  H      -1.953204      0.837461      9.864173
  H      -1.040640      0.376170      8.420717
  H      -1.385249      3.155167      9.673152
  H       0.149749      2.267795      9.436662
  C      -4.044512      5.241819      7.861857
  C      -4.705336      4.029251      7.251678
  C      -5.729337      4.002740      6.223048
  C      -5.651587      2.898973      5.416827
  N      -4.469196      2.144973      5.577000
  C      -4.420138      0.930505      4.966847
  N      -5.317071      0.385393      4.180345
  C      -6.441225      1.139431      3.893420
  C      -7.406685      0.611634      3.014494
  C      -8.545476      1.337069      2.702191
  C      -8.750639      2.604403      3.272478
  C      -7.818464      3.131440      4.157256
  C      -6.652360      2.414609      4.479477
  C      -1.824330      1.961090      3.803902
  C      -1.365899      0.565092      3.485492
  C      -1.975263     -0.379863      2.740163
  C      -3.178432     -0.199100      1.933726
  N      -3.421835      1.013186      1.429828
  C      -4.517384      1.149066      0.644467
  N      -5.362765      0.212113      0.258619
  C      -5.151504     -1.033395      0.781626
  C      -6.060131     -2.073119      0.464494
  C      -5.912827     -3.320213      1.036301
  C      -4.852697     -3.576603      1.936243
  C      -3.941715     -2.585642      2.244921
  C      -4.064194     -1.298086      1.669855
  C      -3.863046      0.422874      8.177080
  C      -4.970341      0.914091      9.057453
  C      -6.299547      0.866117      8.821623
  C      -6.966621      0.234795      7.681761
  N      -6.373538     -0.794587      7.071645
  C      -7.034966     -1.385504      6.045044
  N      -8.262367     -1.136124      5.629018
  C      -8.892784     -0.078779      6.225169
  C     -10.193927      0.277143      5.793404
  C     -10.826881      1.378036      6.331804
  C     -10.181560      2.171045      7.307717
  C      -8.917773      1.839276      7.755289
  C      -8.255937      0.695626      7.244492
  H      -4.078904      6.132882      7.197902
  H      -4.436690      5.558398      8.853751
  H      -4.905078      3.268210      8.031718
  H      -6.537665      4.733043      6.157852
  H      -3.512502      0.352587      5.152860
  H      -7.235263     -0.379785      2.596538
  H      -9.285888      0.919915      2.017785
  H      -9.649598      3.173392      3.030362
  H      -7.992979      4.112515      4.602468
  H      -1.293704      2.696618      3.161427
  H      -2.884423      2.084809      3.560937
  H      -0.458760      0.256176      4.014804
  H      -1.541572     -1.382051      2.739570
  H      -4.700440      2.160812      0.266653
  H      -6.880502     -1.845942     -0.218212
  H      -6.623989     -4.114768      0.803024
  H      -4.759216     -4.563780      2.391867
  H      -3.139773     -2.788125      2.955283
  H      -3.420143     -0.490424      8.618965
  H      -4.268599      0.105453      7.211370
  H      -4.638225      1.444364      9.957380
  H      -6.954559      1.370824      9.534725
  H      -6.478344     -2.163090      5.510199
  H     -10.654126     -0.329031      5.012415
  H     -11.825040      1.654989      5.987869
  H     -10.684651      3.054874      7.703442
  H      -8.418982      2.471931      8.489651
  N      -2.768125      4.537187      5.225182
  N      -2.800220      5.351883      4.462100
91
Coordinates from ORCA-job orca E -6254.290645370340
  N      -2.760550      4.641642      7.869672
  Mo     -2.805448      2.942580      6.740462
  N      -2.824442      1.457207      8.066679
  C      -1.667329      1.226286      8.919787
  C      -0.861881      2.506100      9.040370
  N      -0.737132      3.135172      7.698906
  C      -0.384500      4.574877      7.803373
  C      -1.592084      5.343437      8.324059
  C       0.249410      2.413633      6.852986
  C      -0.153450      2.559706      5.405990
  N      -1.548789      2.175231      5.247524
  H      -1.561649      6.384576      7.945828
  H      -1.577536      5.417101      9.432670
  H      -0.133450      4.914385      6.790120
  H       0.506645      4.700877      8.442892
  H       0.506114      1.921868      4.788066
  H       0.022779      3.598203      5.044931
  H       0.213906      1.351428      7.127381
  H       1.266865      2.791529      7.051943
  H      -1.972093      0.907499      9.933739
  H      -1.045537      0.398693      8.516066
  H      -1.401358      3.213559      9.681898
  H       0.137292      2.325372      9.474099
  C      -4.062873      5.238561      7.814866
  C      -4.715248      4.007690      7.230899
  C      -5.736212      3.953618      6.199019
  C      -5.651554      2.836281      5.412790
  N      -4.463923      2.094939      5.584735
  C      -4.401581      0.871720      4.994241
  N      -5.289789      0.308587      4.210016
  C      -6.419794      1.049815      3.909180
  C      -7.375824      0.504318      3.030700
  C      -8.519389      1.216278      2.703876
  C      -8.739893      2.486446      3.261529
  C      -7.817761      3.030743      4.146397
  C      -6.645591      2.329264      4.480475
  C      -1.820341      1.930210      3.827057
  C      -1.377072      0.533348      3.491989
  C      -1.988717     -0.389782      2.720119
  C      -3.181674     -0.179957      1.906103
  N      -3.422561      1.049701      1.443647
  C      -4.511887      1.214860      0.655645
  N      -5.354388      0.292904      0.229308
  C      -5.144487     -0.971342      0.706391
  C      -6.047874     -1.999715      0.341206
  C      -5.902154     -3.268231      0.863809
  C      -4.849224     -3.557439      1.762202
  C      -3.944315     -2.577270      2.118190
  C      -4.064442     -1.268552      1.593507
  C      -3.862787      0.436928      8.235028
  C      -4.965434      0.947255      9.111013
  C      -6.294905      0.911986      8.876630
  C      -6.967635      0.281506      7.741187
  N      -6.378518     -0.749909      7.131307
  C      -7.043197     -1.339621      6.106680
  N      -8.269979     -1.087111      5.691606
  C      -8.894976     -0.025687      6.285022
  C     -10.193958      0.335033      5.851263
  C     -10.822581      1.439760      6.386632
  C     -10.175237      2.230534      7.363206
  C      -8.913577      1.893486      7.813132
  C      -8.255292      0.747363      7.303695
  H      -4.103886      6.115136      7.132518
  H      -4.458458      5.572810      8.799529
  H      -4.908497      3.263084      8.029604
  H      -6.545977      4.680073      6.116229
  H      -3.487608      0.306911      5.190512
  H      -7.192641     -0.490509      2.624887
  H      -9.251732      0.786085      2.018690
  H      -9.643055      3.044617      3.008953
  H      -8.004431      4.013805      4.581569
  H      -1.282855      2.666585      3.190600
  H      -2.878568      2.066642      3.583166
  H      -0.481683      0.203096      4.028786
  H      -1.566308     -1.397048      2.706783
  H      -4.693476      2.240082      0.316509
  H      -6.862541     -1.747331     -0.339051
  H      -6.608969     -4.054377      0.592616
  H      -4.757191     -4.561390      2.179592
  H      -3.149047     -2.806537      2.827777
  H      -3.422586     -0.472600      8.688051
  H      -4.271763      0.110120      7.273850
  H      -4.627761      1.483292     10.005449
  H      -6.943429      1.429005      9.587162
  H      -6.491313     -2.121734      5.574851
  H     -10.655963     -0.270778      5.070862
  H     -11.818997      1.720705      6.040887
  H     -10.675667      3.115938      7.758756
  H      -8.415681      2.522698      8.551200
  N      -2.773106      4.484165      5.202407
  N      -2.805794      5.282553      4.421071
91
Coordinates from ORCA-job orca E -6254.291353079554
  N      -2.756618      4.657290      7.839390
  Mo     -2.801800      2.935610      6.745642
  N      -2.827109      1.476274      8.100807
  C      -1.679745      1.264569      8.971245
  C      -0.870071      2.544108      9.063885
  N      -0.739058      3.139765      7.707771
  C      -0.380509      4.579827      7.778339
  C      -1.586257      5.365755      8.278121
  C       0.245484      2.391218      6.883113
  C      -0.145631      2.509483      5.430403
  N      -1.544491      2.139431      5.269058
  H      -1.551019      6.396942      7.873824
  H      -1.573107      5.467268      9.384462
  H      -0.126448      4.893643      6.757594
  H       0.509556      4.717603      8.416891
  H       0.510353      1.849000      4.832496
  H       0.046608      3.537001      5.046655
  H       0.198654      1.335576      7.180426
  H       1.265503      2.763416      7.079789
  H      -1.995714      0.976222      9.991035
  H      -1.058393      0.422366      8.598004
  H      -1.409115      3.268605      9.686404
  H       0.127203      2.370913      9.504895
  C      -4.058776      5.252979      7.771245
  C      -4.710106      4.009605      7.211651
  C      -5.728518      3.936317      6.178357
  C      -5.639479      2.806050      5.411708
  N      -4.450041      2.071359      5.598759
  C      -4.380340      0.839619      5.027214
  N      -5.263368      0.261088      4.247885
  C      -6.395932      0.993388      3.933106
  C      -7.348369      0.430814      3.061455
  C      -8.493588      1.133623      2.720684
  C      -8.720527      2.410929      3.258777
  C      -7.802912      2.971652      4.138056
  C      -6.628469      2.280195      4.484536
  C      -1.816952      1.910471      3.846523
  C      -1.393170      0.511168      3.499280
  C      -2.012832     -0.391332      2.709628
  C      -3.194846     -0.152111      1.888777
  N      -3.418246      1.088884      1.447598
  C      -4.497719      1.281535      0.652294
  N      -5.345222      0.377226      0.198624
  C      -5.153275     -0.898587      0.652793
  C      -6.062060     -1.910335      0.255978
  C      -5.934756     -3.190890      0.753688
  C      -4.895629     -3.508643      1.658535
  C      -3.985742     -2.544874      2.045147
  C      -4.086312     -1.224703      1.545882
  C      -3.866660      0.459266      8.281560
  C      -4.971167      0.982485      9.147607
  C      -6.299826      0.943627      8.909295
  C      -6.968596      0.289895      7.784704
  N      -6.377044     -0.753810      7.198106
  C      -7.038968     -1.366483      6.185230
  N      -8.264334     -1.122551      5.760508
  C      -8.890647     -0.047620      6.327895
  C     -10.186850      0.305730      5.879712
  C     -10.816639      1.422332      6.388451
  C     -10.173732      2.231812      7.352464
  C      -8.914891      1.902586      7.816080
  C      -8.254844      0.746112      7.333301
  H      -4.099036      6.115385      7.071064
  H      -4.455796      5.607231      8.748254
  H      -4.905938      3.283345      8.026301
  H      -6.538560      4.660800      6.081209
  H      -3.463729      0.282916      5.234645
  H      -7.160447     -0.569417      2.671429
  H      -9.222274      0.690507      2.039845
  H      -9.625401      2.961541      2.995946
  H      -7.994838      3.959456      4.559819
  H      -1.270977      2.645673      3.215513
  H      -2.873106      2.061767      3.603096
  H      -0.509290      0.159421      4.041334
  H      -1.606711     -1.404908      2.688578
  H      -4.665636      2.315502      0.332874
  H      -6.865859     -1.635661     -0.428582
  H      -6.645528     -3.964467      0.457663
  H      -4.818219     -4.521699      2.056471
  H      -3.201763     -2.797174      2.759322
  H      -3.427709     -0.444280      8.747476
  H      -4.274042      0.121499      7.323734
  H      -4.636039      1.532658     10.034418
  H      -6.950478      1.474857      9.607441
  H      -6.485316     -2.159739      5.671657
  H     -10.645343     -0.315333      5.109246
  H     -11.810652      1.697586      6.031338
  H     -10.675316      3.125428      7.727563
  H      -8.421233      2.545606      8.545100
  N      -2.764270      4.446277      5.179117
  N      -2.793225      5.229108      4.382340
91
Coordinates from ORCA-job orca E -6254.292068894134
  N      -2.753525      4.676634      7.807174
  Mo     -2.794457      2.931050      6.753589
  N      -2.824082      1.501434      8.143070
  C      -1.689061      1.316341      9.034278
  C      -0.875196      2.595503      9.092054
  N      -0.739850      3.151750      7.719467
  C      -0.377281      4.591850      7.750200
  C      -1.582154      5.395115      8.226166
  C       0.242334      2.372726      6.918753
  C      -0.134451      2.457120      5.459169
  N      -1.537478      2.105808      5.295194
  H      -1.543718      6.413765      7.791327
  H      -1.569980      5.529417      9.328847
  H      -0.121768      4.875733      6.721166
  H       0.511779      4.746009      8.386356
  H       0.515836      1.768937      4.886376
  H       0.077530      3.469938      5.048273
  H       0.182322      1.325597      7.243004
  H       1.265363      2.737921      7.113222
  H      -2.018767      1.066543     10.060267
  H      -1.067399      0.457476      8.701350
  H      -1.413330      3.338814      9.692635
  H       0.121039      2.433037      9.539377
  C      -4.057341      5.266726      7.724581
  C      -4.704993      4.009660      7.189464
  C      -5.717613      3.913873      6.153640
  C      -5.622405      2.768869      5.409526
  N      -4.433018      2.040331      5.617319
  C      -4.355413      0.799142      5.067677
  N      -5.229500      0.205587      4.288965
  C      -6.361943      0.930750      3.953730
  C      -7.306508      0.354039      3.082374
  C      -8.450612      1.049420      2.722199
  C      -8.686011      2.332661      3.241544
  C      -7.777183      2.907071      4.121152
  C      -6.602776      2.224263      4.484761
  C      -1.817460      1.878063      3.874273
  C      -1.427190      0.471755      3.519532
  C      -2.062742     -0.403630      2.711936
  C      -3.234171     -0.124904      1.888508
  N      -3.440429      1.131535      1.482710
  C      -4.509583      1.361218      0.683781
  N      -5.362655      0.481018      0.193861
  C      -5.188663     -0.810502      0.609568
  C      -6.101401     -1.800082      0.168059
  C      -5.990575     -3.098173      0.621923
  C      -4.965073     -3.455695      1.527769
  C      -4.052149     -2.513620      1.958038
  C      -4.134496     -1.176148      1.502994
  C      -3.863144      0.486844      8.339753
  C      -4.972184      1.025438      9.191260
  C      -6.299550      0.981755      8.945190
  C      -6.958830      0.299340      7.831884
  N      -6.360227     -0.758314      7.277598
  C      -7.013934     -1.401396      6.278626
  N      -8.235441     -1.170918      5.836102
  C      -8.867269     -0.081160      6.367691
  C     -10.159181      0.258313      5.896816
  C     -10.794875      1.387756      6.368371
  C     -10.162876      2.222982      7.317695
  C      -8.908890      1.907383      7.803692
  C      -8.242299      0.739959      7.358225
  H      -4.099120      6.114288      7.006590
  H      -4.456687      5.640296      8.693279
  H      -4.895733      3.299728      8.018822
  H      -6.524640      4.638272      6.034507
  H      -3.438631      0.249416      5.292788
  H      -7.111206     -0.650007      2.706233
  H      -9.171797      0.595603      2.040318
  H      -9.590563      2.876735      2.964265
  H      -7.975082      3.898690      4.530433
  H      -1.261291      2.602083      3.238995
  H      -2.871355      2.049236      3.634328
  H      -0.558434      0.092008      4.067082
  H      -1.680764     -1.425867      2.680721
  H      -4.662181      2.406491      0.395141
  H      -6.894356     -1.494253     -0.515886
  H      -6.704026     -3.854819      0.290512
  H      -4.900670     -4.482315      1.891746
  H      -3.279816     -2.797899      2.672515
  H      -3.424704     -0.407703      8.823248
  H      -4.267460      0.134365      7.386422
  H      -4.642444      1.592033     10.069729
  H      -6.954613      1.528524      9.627047
  H      -6.455675     -2.208329      5.792508
  H     -10.609027     -0.384356      5.139007
  H     -11.785025      1.652740      5.993163
  H     -10.669352      3.125235      7.664479
  H      -8.424648      2.568810      8.522570
  N      -2.750678      4.409351      5.162404
  N      -2.772971      5.176497      4.350482
91
Coordinates from ORCA-job orca E -6254.292803822504
  N      -2.750420      4.692320      7.769319
  Mo     -2.788696      2.921959      6.758402
  N      -2.826133      1.525306      8.181888
  C      -1.702782      1.365355      9.091943
  C      -0.883683      2.642591      9.116503
  N      -0.741542      3.159009      7.729102
  C      -0.373908      4.598252      7.720660
  C      -1.577895      5.419242      8.169848
  C       0.238906      2.350890      6.954625
  C      -0.123970      2.401743      5.489666
  N      -1.530009      2.065493      5.321286
  H      -1.534682      6.424437      7.704918
  H      -1.568108      5.586262      9.267960
  H      -0.114074      4.852134      6.684960
  H       0.513235      4.767972      8.355497
  H       0.521781      1.689489      4.941170
  H       0.105338      3.400218      5.053796
  H       0.166370      1.312962      7.304882
  H       1.264148      2.710459      7.147876
  H      -2.045357      1.151836     10.122171
  H      -1.081744      0.492436      8.796687
  H      -1.420508      3.404718      9.694149
  H       0.110585      2.489439      9.571281
  C      -4.054542      5.279204      7.666814
  C      -4.699093      4.007723      7.160597
  C      -5.708188      3.884740      6.123925
  C      -5.607240      2.722700      5.406889
  N      -4.417666      2.001388      5.637225
  C      -4.331967      0.749707      5.112842
  N      -5.199149      0.136255      4.342117
  C      -6.333408      0.849848      3.987928
  C      -7.272905      0.250906      3.126220
  C      -8.418423      0.933897      2.747744
  C      -8.661201      2.226794      3.238998
  C      -7.757698      2.823323      4.109338
  C      -6.581566      2.153284      4.490567
  C      -1.811203      1.847693      3.899196
  C      -1.444742      0.439392      3.529810
  C      -2.092243     -0.408919      2.703097
  C      -3.255907     -0.093562      1.881955
  N      -3.449530      1.177547      1.516952
  C      -4.509028      1.442755      0.716600
  N      -5.362956      0.586499      0.187236
  C      -5.202598     -0.719763      0.559966
  C      -6.116537     -1.686589      0.072702
  C      -6.019896     -3.000699      0.481217
  C      -5.007918     -3.397111      1.386314
  C      -4.094031     -2.477249      1.860693
  C      -4.161307     -1.123765      1.452282
  C      -3.866040      0.514124      8.393306
  C      -4.979041      1.067321      9.230461
  C      -6.305425      1.020842      8.977669
  C      -6.960650      0.318141      7.873853
  N      -6.361049     -0.750530      7.341696
  C      -7.012221     -1.412877      6.353868
  N      -8.232123     -1.190530      5.902772
  C      -8.864867     -0.090176      6.411128
  C     -10.155326      0.240537      5.930028
  C     -10.791655      1.379465      6.377332
  C     -10.161801      2.233097      7.311422
  C      -8.909545      1.926347      7.807596
  C      -8.242390      0.749830      7.387571
  H      -4.094500      6.108309      6.927389
  H      -4.457533      5.676926      8.624271
  H      -4.890933      3.319319      8.007393
  H      -6.515725      4.604931      5.984171
  H      -3.414452      0.209086      5.354661
  H      -7.071370     -0.759535      2.770828
  H      -9.134941      0.462725      2.072846
  H      -9.567198      2.760667      2.947593
  H      -7.960626      3.822144      4.498263
  H      -1.246579      2.567850      3.266990
  H      -2.862829      2.034475      3.660752
  H      -0.586730      0.035248      4.077059
  H      -1.728060     -1.436617      2.654143
  H      -4.650344      2.498477      0.462205
  H      -6.899057     -1.350428     -0.609103
  H      -6.734127     -3.740175      0.114397
  H      -4.954551     -4.436332      1.714660
  H      -3.332779     -2.792550      2.573987
  H      -3.428945     -0.371680      8.893792
  H      -4.266798      0.146808      7.444614
  H      -4.653804      1.648398     10.101045
  H      -6.963042      1.581019      9.645725
  H      -6.452273     -2.227950      5.883552
  H     -10.603409     -0.416990      5.184198
  H     -11.780462      1.637688      5.993929
  H     -10.668492      3.142499      7.638680
  H      -8.426883      2.601307      8.514735
  N      -2.736210      4.366578      5.138127
  N      -2.750973      5.116270      4.310138
91
Coordinates from ORCA-job orca E -6254.293550837796
  N      -2.742907      4.711785      7.712382
  Mo     -2.774235      2.908235      6.758645
  N      -2.829966      1.560917      8.228822
  C      -1.723302      1.436208      9.165107
  C      -0.895603      2.708716      9.147062
  N      -0.738969      3.169867      7.742629
  C      -0.365667      4.607530      7.682349
  C      -1.570300      5.450136      8.089865
  C       0.242998      2.326234      7.009131
  C      -0.096244      2.332455      5.537346
  N      -1.504479      2.013960      5.357899
  H      -1.519542      6.435648      7.584698
  H      -1.566378      5.661722      9.180225
  H      -0.094547      4.820777      6.640474
  H       0.516561      4.800448      8.317565
  H       0.545465      1.591250      5.022890
  H       0.156233      3.311898      5.071725
  H       0.154243      1.301757      7.392923
  H       1.268946      2.681738      7.206023
  H      -2.084167      1.269896     10.198004
  H      -1.102653      0.547936      8.920076
  H      -1.429656      3.496763      9.691630
  H       0.094548      2.566747      9.614064
  C      -4.046377      5.294855      7.570318
  C      -4.684475      4.005773      7.098933
  C      -5.687401      3.843122      6.060007
  C      -5.580959      2.654273      5.387368
  N      -4.393326      1.942711      5.654411
  C      -4.300848      0.673602      5.173595
  N      -5.160569      0.028873      4.422441
  C      -6.295959      0.723507      4.039397
  C      -7.231328      0.086479      3.201359
  C      -8.379260      0.748733      2.796947
  C      -8.629156      2.059616      3.235175
  C      -7.728839      2.694997      4.080925
  C      -6.550534      2.045109      4.489987
  C      -1.779841      1.798368      3.934290
  C      -1.449402      0.386942      3.545224
  C      -2.122263     -0.418162      2.695826
  C      -3.281023     -0.044190      1.890801
  N      -3.450258      1.246914      1.588715
  C      -4.500415      1.571336      0.798656
  N      -5.364796      0.759415      0.220116
  C      -5.231837     -0.565974      0.528440
  C      -6.160629     -1.488148     -0.013929
  C      -6.094375     -2.822214      0.329881
  C      -5.099200     -3.283096      1.223165
  C      -4.171213     -2.406589      1.751023
  C      -4.206509     -1.033198      1.408518
  C      -3.869204      0.551584      8.459614
  C      -4.993595      1.124654      9.267942
  C      -6.317485      1.068067      9.000396
  C      -6.964090      0.337616      7.907341
  N      -6.360407     -0.742130      7.402683
  C      -7.005229     -1.426878      6.426430
  N      -8.225481     -1.221773      5.968088
  C      -8.864398     -0.113369      6.451021
  C     -10.157357      0.198447      5.964737
  C     -10.798503      1.345232      6.384496
  C     -10.170167      2.227309      7.292280
  C      -8.915606      1.939709      7.793920
  C      -8.245063      0.753683      7.405889
  H      -4.075932      6.096712      6.800738
  H      -4.461044      5.727227      8.507580
  H      -4.885456      3.346781      7.966577
  H      -6.496413      4.554825      5.889058
  H      -3.383995      0.145834      5.439847
  H      -7.024039     -0.935412      2.883199
  H      -9.092543      0.246792      2.141397
  H      -9.537685      2.575959      2.922553
  H      -7.934563      3.707934      4.430986
  H      -1.198833      2.508304      3.306302
  H      -2.826072      2.007876      3.692080
  H      -0.604136     -0.053960      4.084571
  H      -1.789224     -1.454007      2.614482
  H      -4.619837      2.641122      0.596204
  H      -6.930860     -1.101287     -0.683020
  H      -6.819912     -3.528174     -0.078591
  H      -5.069418     -4.338026      1.500606
  H      -3.423148     -2.771962      2.454742
  H      -3.432542     -0.316848      8.989674
  H      -4.258434      0.156114      7.518160
  H      -4.681568      1.729018     10.127107
  H      -6.984061      1.641238      9.647177
  H      -6.439958     -2.248122      5.973873
  H     -10.604045     -0.480399      5.238037
  H     -11.789460      1.588590      5.996991
  H     -10.679129      3.143978      7.594818
  H      -8.431278      2.636561      8.477947
  N      -2.697472      4.315968      5.101677
  N      -2.691789      5.044112      4.254821
91
Coordinates from ORCA-job orca E -6254.294265803546
  N      -2.736114      4.723986      7.672201
  Mo     -2.767530      2.896818      6.765226
  N      -2.833342      1.588793      8.270295
  C      -1.738186      1.492339      9.223401
  C      -0.902677      2.758958      9.168430
  N      -0.738616      3.174915      7.750715
  C      -0.358382      4.608223      7.647134
  C      -1.560437      5.469155      8.026212
  C       0.239318      2.301106      7.047291
  C      -0.086649      2.270366      5.572456
  N      -1.497987      1.969737      5.387989
  H      -1.504518      6.437297      7.489003
  H      -1.556114      5.716596      9.108996
  H      -0.083618      4.787616      6.599869
  H       0.523266      4.817065      8.278209
  H       0.547890      1.504506      5.085613
  H       0.185387      3.231967      5.081308
  H       0.135664      1.288839      7.458857
  H       1.267840      2.650029      7.242889
  H      -2.111670      1.365421     10.257448
  H      -1.120481      0.591889      9.018170
  H      -1.433102      3.567175      9.686142
  H       0.085303      2.626130      9.642761
  C      -4.038200      5.305185      7.507003
  C      -4.676552      4.004962      7.066138
  C      -5.674599      3.816334      6.026160
  C      -5.562074      2.611749      5.382859
  N      -4.373346      1.912262      5.673891
  C      -4.268754      0.633790      5.221923
  N      -5.117851     -0.031813      4.476972
  C      -6.255492      0.647313      4.072015
  C      -7.180858     -0.013305      3.241091
  C      -8.330139      0.632678      2.814280
  C      -8.591924      1.950683      3.222721
  C      -7.701886      2.609821      4.061306
  C      -6.522052      1.976819      4.492544
  C      -1.774587      1.762396      3.964165
  C      -1.478709      0.347542      3.562122
  C      -2.167600     -0.424114      2.693680
  C      -3.312270     -0.005893      1.889626
  N      -3.458405      1.296336      1.623183
  C      -4.496537      1.662337      0.835664
  N      -5.369095      0.882742      0.225958
  C      -5.259739     -0.453419      0.495517
  C      -6.197188     -1.343607     -0.084074
  C      -6.155857     -2.688260      0.219358
  C      -5.178378     -3.191731      1.109071
  C      -4.242336     -2.346898      1.672789
  C      -4.250794     -0.963721      1.370831
  C      -3.873520      0.584445      8.517005
  C      -5.004508      1.176358      9.302018
  C      -6.325484      1.111567      9.023870
  C      -6.959841      0.352206      7.944174
  N      -6.346828     -0.736583      7.471161
  C      -6.981435     -1.449315      6.508684
  N      -8.199951     -1.263455      6.037650
  C      -8.847698     -0.146623      6.487559
  C     -10.139612      0.144372      5.985824
  C     -10.790065      1.297781      6.371631
  C     -10.172069      2.207222      7.259542
  C      -8.918829      1.940466      7.775766
  C      -8.239154      0.748632      7.423177
  H      -4.061472      6.085830      6.715877
  H      -4.457495      5.763598      8.429571
  H      -4.881190      3.369198      7.950881
  H      -6.482712      4.522929      5.832844
  H      -3.348727      0.119509      5.505087
  H      -6.964538     -1.040435      2.946314
  H      -9.035406      0.112043      2.164433
  H      -9.501766      2.453960      2.892459
  H      -7.916310      3.628287      4.388772
  H      -1.178908      2.462996      3.338801
  H      -2.815280      1.995627      3.721699
  H      -0.650546     -0.124634      4.101539
  H      -1.863220     -1.467573      2.597413
  H      -4.597369      2.739670      0.666309
  H      -6.954253     -0.923617     -0.747936
  H      -6.888116     -3.369600     -0.217709
  H      -5.168791     -4.254666      1.355406
  H      -3.508862     -2.745218      2.373790
  H      -3.439941     -0.270944      9.070458
  H      -4.255364      0.167646      7.581508
  H      -4.701299      1.801556     10.149338
  H      -6.999503      1.698480      9.650659
  H      -6.409506     -2.279516      6.082115
  H     -10.578019     -0.556102      5.274429
  H     -11.780321      1.524737      5.972553
  H     -10.688108      3.128321      7.535408
  H      -8.442494      2.657821      8.444278
  N      -2.678838      4.269450      5.079229
  N      -2.662525      4.979036      4.216561
91
Coordinates from ORCA-job orca E -6254.294777083299
  N      -2.730237      4.720238      7.652980
  Mo     -2.760975      2.879787      6.771363
  N      -2.840538      1.600910      8.298186
  C      -1.755002      1.525957      9.265989
  C      -0.910674      2.785005      9.184986
  N      -0.735951      3.167584      7.759428
  C      -0.350949      4.596523      7.625947
  C      -1.551033      5.469618      7.986437
  C       0.239568      2.274105      7.079728
  C      -0.073552      2.220363      5.602686
  N      -1.487379      1.938412      5.408992
  H      -1.492749      6.424071      7.425757
  H      -1.542574      5.743982      9.062973
  H      -0.072384      4.751755      6.575806
  H       0.531088      4.815620      8.253442
  H       0.554496      1.436595      5.136621
  H       0.216819      3.168697      5.096241
  H       0.122207      1.270578      7.509185
  H       1.269589      2.617424      7.278351
  H      -2.141149      1.429246     10.298061
  H      -1.141465      0.616351      9.089471
  H      -1.436876      3.609617      9.680297
  H       0.073843      2.655882      9.667964
  C      -4.027490      5.304924      7.456779
  C      -4.668009      4.000332      7.033190
  C      -5.658899      3.795353      5.986433
  C      -5.540308      2.581361      5.362974
  N      -4.351376      1.891348      5.674642
  C      -4.232603      0.608406      5.241254
  N      -5.069167     -0.070024      4.493406
  C      -6.207529      0.595950      4.069078
  C      -7.117354     -0.080932      3.233478
  C      -8.267578      0.550561      2.786217
  C      -8.544186      1.870554      3.176748
  C      -7.668479      2.547082      4.017004
  C      -6.488443      1.929519      4.470479
  C      -1.758955      1.753294      3.982233
  C      -1.486214      0.342939      3.550263
  C      -2.193296     -0.397061      2.666524
  C      -3.339783      0.052550      1.881176
  N      -3.475518      1.360500      1.635079
  C      -4.526619      1.753758      0.877895
  N      -5.424603      0.995284      0.278935
  C      -5.325435     -0.346553      0.526648
  C      -6.291053     -1.215823     -0.037579
  C      -6.264108     -2.563833      0.251947
  C      -5.274464     -3.091316      1.113027
  C      -4.310446     -2.267924      1.659715
  C      -4.302003     -0.883245      1.368680
  C      -3.881851      0.601854      8.560056
  C      -5.017769      1.219514      9.316415
  C      -6.334470      1.145805      9.027852
  C      -6.953861      0.351183      7.968589
  N      -6.331201     -0.750945      7.543069
  C      -6.950034     -1.498123      6.597491
  N      -8.161463     -1.331318      6.101860
  C      -8.818008     -0.201653      6.502545
  C     -10.102813      0.067078      5.971717
  C     -10.764326      1.228840      6.310363
  C     -10.163777      2.168947      7.178891
  C      -8.916962      1.925333      7.721180
  C      -8.226706      0.726372      7.416690
  H      -4.032985      6.067995      6.648926
  H      -4.458252      5.785075      8.362494
  H      -4.887169      3.382712      7.929642
  H      -6.466106      4.497452      5.776072
  H      -3.310610      0.104180      5.542972
  H      -6.889983     -1.110341      2.954375
  H      -8.961690      0.016830      2.134304
  H      -9.454305      2.362983      2.829212
  H      -7.894133      3.567666      4.328483
  H      -1.148476      2.455750      3.371714
  H      -2.792967      2.009863      3.738612
  H      -0.665450     -0.157692      4.074665
  H      -1.911716     -1.445509      2.549295
  H      -4.619646      2.835058      0.732069
  H      -7.058798     -0.776731     -0.675642
  H      -7.018426     -3.228860     -0.171991
  H      -5.278361     -4.155897      1.351624
  H      -3.570069     -2.682365      2.343391
  H      -3.451840     -0.236914      9.141388
  H      -4.255132      0.155454      7.633387
  H      -4.722920      1.872696     10.145486
  H      -7.017884      1.751033      9.627860
  H      -6.373780     -2.346383      6.216130
  H     -10.527291     -0.657747      5.275433
  H     -11.750136      1.437391      5.890763
  H     -10.688301      3.095325      7.418589
  H      -8.454148      2.666129      8.373940
  N      -2.654960      4.244650      5.069722
  N      -2.621273      4.946561      4.200808
91
Coordinates from ORCA-job orca E -6254.291952736550
  N      -2.750849      4.724873      7.650605
  Mo     -2.767677      2.872179      6.786526
  N      -2.836423      1.601248      8.332414
  C      -1.752365      1.544422      9.310333
  C      -0.917796      2.813222      9.212479
  N      -0.747204      3.177321      7.773415
  C      -0.367426      4.612950      7.619400
  C      -1.571860      5.491812      7.970398
  C       0.231519      2.268998      7.103363
  C      -0.076813      2.197822      5.618491
  N      -1.492099      1.917614      5.419512
  H      -1.520510      6.441886      7.389357
  H      -1.559726      5.787995      9.049872
  H      -0.092404      4.754648      6.561315
  H       0.515267      4.846675      8.246758
  H       0.552612      1.402216      5.161373
  H       0.219660      3.143173      5.099183
  H       0.112671      1.266909      7.546414
  H       1.261868      2.611501      7.302566
  H      -2.140675      1.464652     10.351957
  H      -1.131933      0.627587      9.152190
  H      -1.451128      3.644293      9.697531
  H       0.067248      2.698866      9.701450
  C      -4.055903      5.301975      7.445393
  C      -4.684084      3.985602      7.035021
  C      -5.666533      3.760559      5.980945
  C      -5.539639      2.529277      5.373160
  N      -4.351911      1.837158      5.703737
  C      -4.231589      0.537005      5.282456
  N      -5.062076     -0.148871      4.528749
  C      -6.197258      0.521016      4.087830
  C      -7.101483     -0.159533      3.246072
  C      -8.253777      0.464687      2.790370
  C      -8.536856      1.786284      3.176550
  C      -7.664771      2.473389      4.019409
  C      -6.482627      1.862153      4.479871
  C      -1.767935      1.745107      3.974788
  C      -1.491760      0.331378      3.517279
  C      -2.190235     -0.402316      2.606260
  C      -3.337206      0.056155      1.828002
  N      -3.492603      1.381631      1.624321
  C      -4.544142      1.788291      0.866058
  N      -5.429026      1.031158      0.229782
  C      -5.313678     -0.327853      0.433966
  C      -6.260392     -1.200114     -0.177679
  C      -6.211158     -2.573620      0.059750
  C      -5.217191     -3.124426      0.914890
  C      -4.270115     -2.297774      1.506149
  C      -4.281763     -0.886211      1.267799
  C      -3.876936      0.603860      8.609214
  C      -5.002213      1.245574      9.368604
  C      -6.325090      1.190036      9.093206
  C      -6.966263      0.385569      8.045712
  N      -6.358317     -0.742343      7.630827
  C      -6.991975     -1.494531      6.694792
  N      -8.198250     -1.303143      6.189604
  C      -8.838709     -0.146947      6.578203
  C     -10.115609      0.148552      6.036068
  C     -10.759149      1.334006      6.365923
  C     -10.148822      2.272158      7.235604
  C      -8.909873      2.004735      7.787336
  C      -8.235752      0.781832      7.490870
  H      -4.071162      6.058289      6.628764
  H      -4.490321      5.789183      8.347883
  H      -4.899444      3.375553      7.939598
  H      -6.472314      4.463011      5.754471
  H      -3.316283      0.029041      5.602872
  H      -6.864877     -1.183407      2.964557
  H      -8.943000     -0.071390      2.132828
  H      -9.447983      2.274889      2.822601
  H      -7.894676      3.499172      4.326558
  H      -1.165653      2.452787      3.360690
  H      -2.809179      2.006788      3.738570
  H      -0.671529     -0.183752      4.039718
  H      -1.902786     -1.451527      2.462002
  H      -4.647409      2.882004      0.751436
  H      -7.031671     -0.744050     -0.811225
  H      -6.951422     -3.240928     -0.401882
  H      -5.204254     -4.209482      1.113117
  H      -3.525260     -2.731952      2.184095
  H      -3.448122     -0.232019      9.203128
  H      -4.256146      0.144576      7.689194
  H      -4.690996      1.909584     10.188309
  H      -6.988778      1.822127      9.692198
  H      -6.431421     -2.372515      6.325963
  H     -10.547939     -0.576061      5.341426
  H     -11.737644      1.562620      5.938107
  H     -10.660655      3.215681      7.468741
  H      -8.440898      2.744933      8.441049
  N      -2.658482      4.225494      5.071891
  N      -2.640832      4.921601      4.197100
91
Coordinates from ORCA-job orca E -6254.290302397771
  N      -2.776935      4.685675      7.657157
  Mo     -2.792629      2.849227      6.795893
  N      -2.843469      1.580328      8.326241
  C      -1.749565      1.532816      9.284723
  C      -0.920645      2.799169      9.186454
  N      -0.766628      3.165201      7.758757
  C      -0.395010      4.594573      7.601117
  C      -1.595162      5.459661      7.957481
  C       0.203464      2.267763      7.091604
  C      -0.119073      2.194932      5.617444
  N      -1.532218      1.908489      5.410651
  H      -1.558752      6.400620      7.377124
  H      -1.565482      5.758079      9.027358
  H      -0.136982      4.735434      6.548966
  H       0.495257      4.831973      8.216452
  H       0.501240      1.406526      5.163818
  H       0.174675      3.133305      5.104313
  H       0.089147      1.270144      7.531132
  H       1.232048      2.613658      7.291933
  H      -2.125365      1.453118     10.317261
  H      -1.136476      0.629136      9.123733
  H      -1.450881      3.618310      9.670683
  H       0.068424      2.692982      9.666259
  C      -4.088449      5.254539      7.462016
  C      -4.714498      3.948268      7.061873
  C      -5.700544      3.717072      6.024477
  C      -5.568989      2.486381      5.415133
  N      -4.380626      1.802178      5.733946
  C      -4.260386      0.496354      5.302465
  N      -5.085672     -0.183980      4.537872
  C      -6.211623      0.493490      4.106415
  C      -7.100691     -0.157908      3.239925
  C      -8.248740      0.461649      2.797722
  C      -8.543584      1.753401      3.223021
  C      -7.683870      2.422711      4.083084
  C      -6.504660      1.820531      4.523499
  C      -1.814602      1.751133      3.951734
  C      -1.516553      0.368620      3.463903
  C      -2.174799     -0.364566      2.535186
  C      -3.310206      0.046963      1.752945
  N      -3.509241      1.346773      1.565847
  C      -4.552864      1.710555      0.805299
  N      -5.394554      0.935739      0.160622
  C      -5.230661     -0.401212      0.346057
  C      -6.114390     -1.296555     -0.288647
  C      -6.006214     -2.653217     -0.083039
  C      -5.012103     -3.165016      0.764915
  C      -4.123090     -2.315026      1.377770
  C      -4.191998     -0.919275      1.167944
  C      -3.886586      0.590131      8.612786
  C      -4.989144      1.252509      9.390359
  C      -6.320726      1.231864      9.148754
  C      -7.003919      0.446207      8.117962
  N      -6.430917     -0.687117      7.692228
  C      -7.093765     -1.415190      6.765427
  N      -8.292032     -1.179600      6.263270
  C      -8.894643     -0.017394      6.661683
  C     -10.159266      0.317241      6.126786
  C     -10.766215      1.495672      6.473850
  C     -10.134148      2.389440      7.358350
  C      -8.907353      2.087714      7.903656
  C      -8.266818      0.872718      7.583609
  H      -4.114558      6.007243      6.653323
  H      -4.518534      5.731918      8.361135
  H      -4.911386      3.349025      7.949573
  H      -6.508524      4.416937      5.806840
  H      -3.353828     -0.008545      5.619065
  H      -6.846805     -1.149622      2.921059
  H      -8.925428     -0.049155      2.120159
  H      -9.451548      2.241356      2.882788
  H      -7.923407      3.434832      4.416740
  H      -1.240000      2.463045      3.355886
  H      -2.846598      2.001063      3.724169
  H      -0.689428     -0.132125      3.980986
  H      -1.855354     -1.383106      2.380305
  H      -4.694757      2.783581      0.701134
  H      -6.886427     -0.872624     -0.917097
  H      -6.700463     -3.337540     -0.563939
  H      -4.955337     -4.237064      0.940525
  H      -3.379383     -2.721561      2.050019
  H      -3.463636     -0.248812      9.200528
  H      -4.281416      0.137134      7.701445
  H      -4.642382      1.910598     10.199227
  H      -6.948871      1.886384      9.760353
  H      -6.561917     -2.315101      6.400508
  H     -10.611538     -0.375123      5.424573
  H     -11.733938      1.751934      6.051095
  H     -10.619938      3.325938      7.607709
  H      -8.426059      2.794215      8.571501
  N      -2.698421      4.207072      5.099399
  N      -2.709803      4.907764      4.241290
91
Coordinates from ORCA-job orca E -6254.290482740891
  N      -2.751536      4.705686      7.608185
  Mo     -2.778466      2.848943      6.769577
  N      -2.847289      1.608774      8.319361
  C      -1.761620      1.571016      9.279593
  C      -0.921584      2.823238      9.159349
  N      -0.758367      3.164041      7.732134
  C      -0.376756      4.582165      7.554286
  C      -1.570186      5.463199      7.896385
  C       0.203762      2.248129      7.078303
  C      -0.108552      2.149785      5.607585
  N      -1.520611      1.878824      5.414103
  H      -1.520486      6.391424      7.303549
  H      -1.546458      5.774161      8.954142
  H      -0.111600      4.704226      6.502790
  H       0.508295      4.818472      8.165238
  H       0.508532      1.343982      5.172903
  H       0.193936      3.071607      5.073842
  H       0.077961      1.262348      7.533867
  H       1.235440      2.586513      7.269815
  H      -2.143568      1.513122     10.306534
  H      -1.156211      0.662722      9.135297
  H      -1.446157      3.654861      9.629308
  H       0.061775      2.713973      9.638618
  C      -4.051427      5.280237      7.399641
  C      -4.686371      3.962732      7.015635
  C      -5.669330      3.714148      5.973567
  C      -5.550686      2.493058      5.384086
  N      -4.372058      1.805712      5.713758
  C      -4.253159      0.533164      5.308208
  N      -5.074823     -0.150216      4.561661
  C      -6.202924      0.508266      4.114309
  C      -7.095047     -0.177197      3.264834
  C      -8.246784      0.452974      2.795393
  C      -8.539011      1.782622      3.179814
  C      -7.676369      2.456139      4.031934
  C      -6.492399      1.838836      4.499651
  C      -1.784760      1.705527      4.015182
  C      -1.502909      0.308251      3.583434
  C      -2.182307     -0.401802      2.678533
  C      -3.317252      0.072948      1.879252
  N      -3.460859      1.379062      1.688405
  C      -4.503487      1.797823      0.916862
  N      -5.384281      1.071678      0.261426
  C      -5.273602     -0.268363      0.450357
  C      -6.209732     -1.107020     -0.187574
  C      -6.167419     -2.452658      0.028703
  C      -5.188504     -3.010678      0.889690
  C      -4.248816     -2.216290      1.506103
  C      -4.253053     -0.835520      1.287253
  C      -3.889858      0.626978      8.622770
  C      -5.006026      1.271276      9.372885
  C      -6.328778      1.210300      9.102157
  C      -6.970482      0.394704      8.073003
  N      -6.376354     -0.717025      7.675195
  C      -7.014915     -1.481854      6.755760
  N      -8.210234     -1.299776      6.240600
  C      -8.834118     -0.156067      6.607773
  C     -10.107207      0.125084      6.057809
  C     -10.746400      1.300382      6.368617
  C     -10.134597      2.239058      7.231329
  C      -8.898529      1.979114      7.793716
  C      -8.231122      0.771557      7.513262
  H      -4.062831      6.018182      6.570449
  H      -4.483173      5.784478      8.292784
  H      -4.903734      3.371313      7.929877
  H      -6.471158      4.407905      5.739044
  H      -3.342034      0.035749      5.638521
  H      -6.841270     -1.217634      2.983371
  H      -8.927316     -0.084597      2.129373
  H      -9.447789      2.277879      2.818168
  H      -7.912947      3.474461      4.340374
  H      -1.167332      2.430018      3.413620
  H      -2.828302      1.957982      3.775989
  H      -0.696339     -0.199823      4.117173
  H      -1.886565     -1.441848      2.549084
  H      -4.604768      2.875856      0.814782
  H      -6.970562     -0.645238     -0.826010
  H      -6.899920     -3.095042     -0.452244
  H      -5.184758     -4.073598      1.072486
  H      -3.520135     -2.656144      2.189443
  H      -3.461246     -0.189194      9.219698
  H      -4.278554      0.160002      7.719187
  H      -4.686654      1.942907     10.175305
  H      -6.992563      1.847752      9.686197
  H      -6.463675     -2.348913      6.411738
  H     -10.543689     -0.601926      5.371475
  H     -11.724089      1.522275      5.933673
  H     -10.642893      3.176510      7.450884
  H      -8.431181      2.719549      8.443835
  N      -2.684114      4.180245      5.051832
  N      -2.664514      4.867095      4.177691
91
Coordinates from ORCA-job orca E -6254.288987024251
  N      -2.743610      4.721901      7.609122
  Mo     -2.758786      2.852954      6.782815
  N      -2.843752      1.613304      8.354703
  C      -1.766684      1.571871      9.340632
  C      -0.923848      2.833577      9.209105
  N      -0.742454      3.165356      7.758990
  C      -0.355420      4.593220      7.571629
  C      -1.562502      5.486292      7.902798
  C       0.231282      2.228960      7.107591
  C      -0.065079      2.129673      5.624695
  N      -1.488428      1.871673      5.434318
  H      -1.508107      6.420337      7.296109
  H      -1.552347      5.808083      8.971385
  H      -0.077337      4.711081      6.507246
  H       0.525047      4.832760      8.190512
  H       0.556199      1.310251      5.187247
  H       0.254731      3.060959      5.082819
  H       0.091465      1.237320      7.575224
  H       1.268892      2.558716      7.299640
  H      -2.165896      1.521915     10.385443
  H      -1.148768      0.643219      9.210992
  H      -1.461034      3.683055      9.671298
  H       0.058526      2.726240      9.705589
  C      -4.042312      5.295038      7.386085
  C      -4.677901      3.965523      7.001748
  C      -5.661549      3.712756      5.954654
  C      -5.535947      2.484844      5.373564
  N      -4.347413      1.810184      5.724237
  C      -4.215521      0.529119      5.332576
  N      -5.030602     -0.175061      4.581321
  C      -6.166168      0.463571      4.114098
  C      -7.047593     -0.252381      3.264302
  C      -8.202744      0.340569      2.786252
  C      -8.509538      1.659680      3.160114
  C      -7.656880      2.372324      4.007104
  C      -6.469480      1.796562      4.485442
  C      -1.771330      1.707247      4.020509
  C      -1.521232      0.318572      3.547476
  C      -2.228468     -0.373313      2.615309
  C      -3.374539      0.127280      1.840007
  N      -3.539530      1.469080      1.684675
  C      -4.585710      1.894628      0.939342
  N      -5.457225      1.141442      0.277169
  C      -5.330538     -0.228951      0.430512
  C      -6.259645     -1.097371     -0.213794
  C      -6.197326     -2.480439     -0.029025
  C      -5.209702     -3.044790      0.805410
  C      -4.280740     -2.222259      1.427754
  C      -4.304376     -0.802600      1.241124
  C      -3.898098      0.638463      8.659380
  C      -5.020754      1.296619      9.398503
  C      -6.337825      1.237849      9.117441
  C      -6.972101      0.413311      8.090907
  N      -6.366450     -0.720352      7.705571
  C      -6.998406     -1.487271      6.782769
  N      -8.198590     -1.301702      6.259431
  C      -8.837901     -0.141782      6.617758
  C     -10.113721      0.145874      6.057068
  C     -10.763604      1.339290      6.360185
  C     -10.157746      2.287936      7.221603
  C      -8.917982      2.025871      7.791166
  C      -8.238832      0.798449      7.520702
  H      -4.049962      6.037311      6.550909
  H      -4.482127      5.804193      8.280078
  H      -4.901114      3.373317      7.935555
  H      -6.472378      4.406360      5.715705
  H      -3.292192      0.037933      5.680431
  H      -6.786061     -1.284465      2.992464
  H      -8.875462     -0.220165      2.122475
  H      -9.421045      2.118657      2.792679
  H      -7.902039      3.381044      4.303866
  H      -1.163827      2.422508      3.416140
  H      -2.800312      1.972135      3.789202
  H      -0.715206     -0.211797      4.065610
  H      -1.948828     -1.433488      2.445659
  H      -4.699880      2.998147      0.868878
  H      -7.024958     -0.632859     -0.829240
  H      -6.921044     -3.147043     -0.514357
  H      -5.188806     -4.137679      0.965653
  H      -3.542650     -2.669562      2.091195
  H      -3.477928     -0.182232      9.271879
  H      -4.282754      0.161888      7.753306
  H      -4.710484      1.975059     10.197978
  H      -7.003517      1.883675      9.691567
  H      -6.445549     -2.361215      6.445080
  H     -10.542264     -0.589353      5.370217
  H     -11.743815      1.562152      5.919952
  H     -10.674447      3.232739      7.435966
  H      -8.453154      2.773381      8.438847
  N      -2.637499      4.179948      5.042796
  N      -2.606618      4.867457      4.136709
91
Coordinates from ORCA-job orca E -6254.290364130342
  N      -2.751307      4.713909      7.646092
  Mo     -2.773378      2.860775      6.797895
  N      -2.844638      1.605577      8.347066
  C      -1.761323      1.557903      9.323748
  C      -0.921397      2.821257      9.212944
  N      -0.749447      3.171596      7.773243
  C      -0.367651      4.601507      7.602064
  C      -1.571329      5.482862      7.945746
  C       0.222887      2.254020      7.112894
  C      -0.087249      2.170594      5.634961
  N      -1.506235      1.898207      5.432694
  H      -1.526529      6.422304      7.353147
  H      -1.552968      5.791089      9.016807
  H      -0.096087      4.731837      6.543103
  H       0.517589      4.839567      8.220372
  H       0.534883      1.371812      5.188901
  H       0.217431      3.106694      5.112333
  H       0.098026      1.259658      7.564521
  H       1.254429      2.592621      7.307266
  H      -2.154751      1.490668     10.360360
  H      -1.144708      0.639672      9.177913
  H      -1.454707      3.659201      9.688943
  H       0.064984      2.708798      9.703059
  C      -4.052778      5.291265      7.433327
  C      -4.691351      3.976175      7.037019
  C      -5.677484      3.742186      5.989719
  C      -5.547063      2.502196      5.398172
  N      -4.349981      1.821699      5.740399
  C      -4.211116      0.497962      5.335639
  N      -5.033240     -0.210837      4.576334
  C      -6.174409      0.463000      4.117805
  C      -7.061533     -0.209093      3.260452
  C      -8.214443      0.425543      2.792799
  C      -8.518122      1.745015      3.184138
  C      -7.663929      2.428108      4.036483
  C      -6.480031      1.816983      4.505562
  C      -1.794092      1.742443      3.964414
  C      -1.499653      0.326849      3.476600
  C      -2.181003     -0.397661      2.547609
  C      -3.327756      0.056476      1.771785
  N      -3.496830      1.366781      1.585849
  C      -4.552164      1.769166      0.831451
  N      -5.433301      1.025565      0.192723
  C      -5.301030     -0.319639      0.376487
  C      -6.247907     -1.174554     -0.243106
  C      -6.184302     -2.535630     -0.029802
  C      -5.174022     -3.091628      0.809776
  C      -4.228896     -2.279007      1.410230
  C      -4.257765     -0.877083      1.195038
  C      -3.893835      0.622638      8.644275
  C      -5.010566      1.284680      9.402140
  C      -6.335160      1.238445      9.135931
  C      -6.990078      0.424012      8.105592
  N      -6.387174     -0.717035      7.714251
  C      -7.024037     -1.481536      6.790419
  N      -8.224488     -1.287448      6.268812
  C      -8.857734     -0.117049      6.630168
  C     -10.126774      0.173281      6.073161
  C     -10.764018      1.358578      6.382994
  C     -10.154885      2.302170      7.247887
  C      -8.924429      2.043278      7.812512
  C      -8.256097      0.819065      7.536346
  H      -4.061500      6.041025      6.610624
  H      -4.487119      5.784958      8.329421
  H      -4.903808      3.375575      7.946090
  H      -6.486415      4.441934      5.755325
  H      -3.287229     -0.001582      5.674376
  H      -6.809885     -1.220472      2.970266
  H      -8.888466     -0.099113      2.122576
  H      -9.430697      2.241281      2.821033
  H      -7.908504      3.464261      4.341976
  H      -1.199447      2.463831      3.344705
  H      -2.841622      2.011096      3.740836
  H      -0.681423     -0.190496      3.988004
  H      -1.887033     -1.428922      2.388596
  H      -4.664672      2.845977      0.727667
  H      -7.031456     -0.717308     -0.865551
  H      -6.924488     -3.189707     -0.499279
  H      -5.149335     -4.169492      0.989768
  H      -3.475140     -2.718196      2.078261
  H      -3.466621     -0.211439      9.248945
  H      -4.282221      0.151536      7.732034
  H      -4.687494      1.958344     10.208579
  H      -6.987284      1.886885      9.727709
  H      -6.470672     -2.373679      6.452710
  H     -10.560635     -0.558519      5.385376
  H     -11.736214      1.580040      5.944412
  H     -10.662363      3.243914      7.467016
  H      -8.458156      2.785688      8.463750
  N      -2.663772      4.213740      5.081498
  N      -2.639221      4.915930      4.213370
91
Coordinates from ORCA-job orca E -6254.288748211081
  N      -2.759068      4.698414      7.631465
  Mo     -2.778349      2.846373      6.775611
  N      -2.842866      1.595867      8.311560
  C      -1.753794      1.556931      9.275844
  C      -0.917068      2.815518      9.167399
  N      -0.753438      3.165680      7.743297
  C      -0.378716      4.589762      7.574342
  C      -1.576828      5.463023      7.923755
  C       0.211486      2.260175      7.085730
  C      -0.105524      2.170223      5.615622
  N      -1.517695      1.892595      5.413559
  H      -1.534007      6.395249      7.336854
  H      -1.550877      5.767855      8.985371
  H      -0.114079      4.720482      6.526709
  H       0.510452      4.827531      8.189307
  H       0.513925      1.373474      5.175216
  H       0.187809      3.096900      5.090206
  H       0.092797      1.271113      7.535189
  H       1.241654      2.604822      7.279848
  H      -2.136127      1.490370     10.299959
  H      -1.143346      0.652537      9.125140
  H      -1.445296      3.639967      9.641972
  H       0.070465      2.705942      9.648141
  C      -4.062307      5.268526      7.426110
  C      -4.692223      3.958342      7.032082
  C      -5.674094      3.717601      5.992264
  C      -5.549513      2.488629      5.393166
  N      -4.370508      1.810784      5.712466
  C      -4.255074      0.528213      5.289552
  N      -5.082506     -0.143695      4.539620
  C      -6.204987      0.516549      4.111656
  C      -7.099632     -0.147343      3.266119
  C      -8.238856      0.471079      2.823608
  C      -8.523166      1.767131      3.227010
  C      -7.660022      2.433832      4.070587
  C      -6.488406      1.829531      4.514473
  C      -1.792855      1.728547      3.985104
  C      -1.501707      0.336960      3.527362
  C      -2.175890     -0.379658      2.616145
  C      -3.311008      0.062541      1.824265
  N      -3.477238      1.368974      1.640789
  C      -4.518890      1.763357      0.877387
  N      -5.382288      1.010909      0.227175
  C      -5.248013     -0.334907      0.410413
  C      -6.171075     -1.201211     -0.219955
  C      -6.105281     -2.554671     -0.008622
  C      -5.118137     -3.092051      0.842052
  C      -4.195622     -2.270926      1.454188
  C      -4.225481     -0.877662      1.239718
  C      -3.888474      0.610714      8.604639
  C      -5.012054      1.255203      9.364341
  C      -6.339014      1.208010      9.102938
  C      -6.999998      0.415522      8.071433
  N      -6.421367     -0.699291      7.660094
  C      -7.072707     -1.442014      6.739711
  N      -8.270472     -1.243258      6.238612
  C      -8.879648     -0.096270      6.622051
  C     -10.147785      0.204280      6.090751
  C     -10.765460      1.372242      6.420859
  C     -10.142367      2.291716      7.285987
  C      -8.912369      2.018967      7.830558
  C      -8.262749      0.813186      7.528990
  H      -4.075168      6.010602      6.607807
  H      -4.493048      5.759640      8.317922
  H      -4.901701      3.371841      7.924105
  H      -6.481592      4.408508      5.766012
  H      -3.353703      0.037275      5.600818
  H      -6.859659     -1.159116      2.970912
  H      -8.920446     -0.055249      2.163169
  H      -9.428800      2.255814      2.883603
  H      -7.894677      3.446827      4.391024
  H      -1.196003      2.444562      3.392430
  H      -2.830174      1.977838      3.753245
  H      -0.677677     -0.172945      4.052576
  H      -1.866922     -1.409180      2.479330
  H      -4.639978      2.845753      0.778863
  H      -6.937820     -0.755721     -0.851019
  H      -6.825922     -3.218028     -0.487098
  H      -5.092257     -4.161521      1.020177
  H      -3.460877     -2.696920      2.128427
  H      -3.460675     -0.218773      9.198051
  H      -4.272284      0.150883      7.692390
  H      -4.688649      1.917950     10.174181
  H      -6.995048      1.843465      9.702522
  H      -6.528265     -2.328892      6.387755
  H     -10.596113     -0.506862      5.402400
  H     -11.738194      1.605067      5.999358
  H     -10.636625      3.228177      7.520179
  H      -8.433775      2.742524      8.483377
  N      -2.694279      4.206560      5.076781
  N      -2.691778      4.905306      4.240462
91
Coordinates from ORCA-job orca E -6254.288479237371
  N      -2.745752      4.696974      7.612389
  Mo     -2.770979      2.844924      6.774613
  N      -2.845263      1.600749      8.328668
  C      -1.765821      1.557455      9.299366
  C      -0.924953      2.809197      9.177149
  N      -0.751758      3.147868      7.740982
  C      -0.364768      4.565810      7.562733
  C      -1.561909      5.452108      7.904508
  C       0.213542      2.227285      7.081017
  C      -0.090174      2.138143      5.604353
  N      -1.504583      1.875345      5.417248
  H      -1.506448      6.383181      7.307557
  H      -1.543357      5.764586      8.968764
  H      -0.091480      4.690239      6.507153
  H       0.517091      4.800811      8.175953
  H       0.531909      1.332145      5.164641
  H       0.219909      3.066720      5.071109
  H       0.082058      1.241198      7.536842
  H       1.247085      2.559059      7.268840
  H      -2.158796      1.495419     10.332157
  H      -1.153663      0.645869      9.155919
  H      -1.451722      3.643289      9.646444
  H       0.054373      2.697537      9.661449
  C      -4.040353      5.280554      7.392384
  C      -4.683310      3.961400      7.002094
  C      -5.666847      3.721992      5.958538
  C      -5.545666      2.494749      5.375359
  N      -4.360868      1.806139      5.715770
  C      -4.238771      0.524362      5.319770
  N      -5.058541     -0.168571      4.578670
  C      -6.190272      0.479830      4.118948
  C      -7.075470     -0.242770      3.270118
  C      -8.238402      0.364084      2.789133
  C      -8.543875      1.707106      3.160120
  C      -7.682297      2.425146      4.010273
  C      -6.487394      1.824166      4.491851
  C      -1.780652      1.722212      4.012798
  C      -1.528295      0.354492      3.540526
  C      -2.212561     -0.344717      2.611723
  C      -3.343013      0.121669      1.847592
  N      -3.520304      1.432531      1.683938
  C      -4.565425      1.834363      0.951195
  N      -5.428288      1.088859      0.305817
  C      -5.285141     -0.255787      0.465752
  C      -6.202442     -1.116611     -0.151630
  C      -6.122219     -2.471052      0.046321
  C      -5.128648     -3.013534      0.866468
  C      -4.213235     -2.198143      1.463426
  C      -4.256123     -0.805539      1.265254
  C      -3.895965      0.625473      8.627575
  C      -5.013716      1.281116      9.368584
  C      -6.337793      1.225291      9.098029
  C      -6.985365      0.400976      8.079416
  N      -6.394323     -0.731631      7.689255
  C      -7.037018     -1.493358      6.772108
  N      -8.235425     -1.302170      6.260153
  C      -8.857934     -0.141812      6.623997
  C     -10.134395      0.163120      6.072710
  C     -10.768467      1.366426      6.378541
  C     -10.145841      2.300964      7.234987
  C      -8.906493      2.019222      7.794949
  C      -8.244725      0.789916      7.520726
  H      -4.039764      6.020455      6.564270
  H      -4.476289      5.787468      8.283324
  H      -4.914803      3.375930      7.923851
  H      -6.469330      4.418435      5.723513
  H      -3.325403      0.023345      5.657521
  H      -6.811162     -1.296992      2.998598
  H      -8.916293     -0.206861      2.123545
  H      -9.461711      2.178044      2.791669
  H      -7.928003      3.445246      4.309142
  H      -1.177281      2.434281      3.436066
  H      -2.801905      1.971712      3.771085
  H      -0.733505     -0.157687      4.052608
  H      -1.923378     -1.385574      2.435897
  H      -4.689368      2.918316      0.873654
  H      -6.973588     -0.669440     -0.757231
  H      -6.837732     -3.130022     -0.420063
  H      -5.091673     -4.085302      1.034627
  H      -3.467284     -2.626679      2.116212
  H      -3.473809     -0.191182      9.230293
  H      -4.280803      0.150277      7.722950
  H      -4.696067      1.958309     10.168179
  H      -6.995375      1.870796      9.679956
  H      -6.494656     -2.369915      6.429893
  H     -10.576013     -0.561826      5.390640
  H     -11.748884      1.606687      5.945194
  H     -10.648817      3.252628      7.452744
  H      -8.431066      2.761701      8.437921
  N      -2.657753      4.194887      5.046811
  N      -2.626799      4.891166      4.161598
91
Coordinates from ORCA-job orca E -6254.289583353902
  N      -2.750162      4.713119      7.619975
  Mo     -2.766486      2.851876      6.786303
  N      -2.847655      1.610803      8.349929
  C      -1.769834      1.572811      9.332674
  C      -0.929478      2.835358      9.209551
  N      -0.749272      3.171685      7.765759
  C      -0.367707      4.599119      7.583085
  C      -1.571740      5.481409      7.915019
  C       0.226505      2.247476      7.118395
  C      -0.074260      2.149563      5.635197
  N      -1.491066      1.878151      5.437300
  H      -1.522294      6.415779      7.313177
  H      -1.556519      5.799043      8.981768
  H      -0.091272      4.722706      6.523615
  H       0.511584      4.843413      8.202028
  H       0.551361      1.342560      5.197628
  H       0.234632      3.083971      5.100086
  H       0.098070      1.254544      7.581263
  H       1.258428      2.587996      7.313134
  H      -2.166981      1.515549     10.370226
  H      -1.152112      0.653591      9.197132
  H      -1.465406      3.677143      9.674932
  H       0.051429      2.725962      9.704869
  C      -4.047368      5.288479      7.392770
  C      -4.684552      3.966438      7.004507
  C      -5.663373      3.713967      5.952617
  C      -5.534732      2.482613      5.376479
  N      -4.343621      1.805983      5.727207
  C      -4.207024      0.507839      5.338619
  N      -5.023214     -0.202810      4.589092
  C      -6.161565      0.447872      4.118884
  C      -7.042855     -0.249315      3.269393
  C      -8.196925      0.360013      2.791402
  C      -8.504272      1.676013      3.164348
  C      -7.654332      2.378516      4.009076
  C      -6.467818      1.791079      4.489236
  C      -1.765116      1.715420      4.005836
  C      -1.486832      0.308709      3.536921
  C      -2.182637     -0.394110      2.606910
  C      -3.334133      0.102031      1.824021
  N      -3.486413      1.433285      1.648893
  C      -4.549080      1.865539      0.897451
  N      -5.448311      1.129572      0.246402
  C      -5.334862     -0.231435      0.415302
  C      -6.299887     -1.080492     -0.213962
  C      -6.256840     -2.457055     -0.010869
  C      -5.253312     -3.032519      0.826073
  C      -4.288178     -2.226997      1.435442
  C      -4.292257     -0.814250      1.232805
  C      -3.897519      0.633354      8.654552
  C      -5.012557      1.300372      9.393299
  C      -6.329480      1.243369      9.114498
  C      -6.969563      0.413336      8.089984
  N      -6.366515     -0.730279      7.712015
  C      -7.001584     -1.503571      6.791497
  N      -8.202397     -1.311158      6.264954
  C      -8.839806     -0.142761      6.616453
  C     -10.113777      0.142275      6.054824
  C     -10.757947      1.330811      6.356646
  C     -10.146955      2.278085      7.214884
  C      -8.908172      2.020144      7.782512
  C      -8.235358      0.797502      7.515915
  H      -4.049208      6.029703      6.561040
  H      -4.488568      5.795135      8.282897
  H      -4.907254      3.376538      7.926734
  H      -6.473044      4.405816      5.707556
  H      -3.279988      0.012348      5.688501
  H      -6.787493     -1.267661      2.995037
  H      -8.867191     -0.185043      2.128164
  H      -9.413784      2.144957      2.796529
  H      -7.900219      3.390420      4.303473
  H      -1.155495      2.435976      3.394838
  H      -2.807870      1.982301      3.773077
  H      -0.672550     -0.222167      4.057006
  H      -1.899744     -1.442907      2.449468
  H      -4.648354      2.957613      0.807979
  H      -7.077881     -0.608282     -0.833568
  H      -7.008096     -3.109107     -0.484672
  H      -5.246931     -4.119876      0.998308
  H      -3.538909     -2.682299      2.101265
  H      -3.478186     -0.187478      9.268501
  H      -4.282312      0.151878      7.749995
  H      -4.698168      1.983379     10.190815
  H      -6.993990      1.892243      9.689566
  H      -6.453802     -2.389975      6.461844
  H     -10.546791     -0.593337      5.371686
  H     -11.736401      1.549806      5.918020
  H     -10.657824      3.216431      7.428287
  H      -8.439321      2.764941      8.428186
  N      -2.648928      4.186349      5.047645
  N      -2.600167      4.887387      4.139447
91
Coordinates from ORCA-job orca E -6254.288929613987
  N      -2.748442      4.711799      7.655415
  Mo     -2.769484      2.860409      6.791141
  N      -2.831905      1.598660      8.325754
  C      -1.742907      1.548558      9.297513
  C      -0.903868      2.812496      9.193485
  N      -0.739160      3.168178      7.761488
  C      -0.357766      4.597200      7.597282
  C      -1.563403      5.478016      7.953693
  C       0.229268      2.261299      7.089215
  C      -0.086447      2.184516      5.621453
  N      -1.508043      1.913791      5.419203
  H      -1.518777      6.415280      7.365362
  H      -1.545868      5.782787      9.023895
  H      -0.085239      4.730171      6.542246
  H       0.536794      4.829358      8.213309
  H       0.536945      1.386224      5.174677
  H       0.213294      3.114238      5.098289
  H       0.103612      1.269042      7.533186
  H       1.265101      2.594676      7.282086
  H      -2.136984      1.475431     10.329130
  H      -1.123734      0.634857      9.143708
  H      -1.439356      3.644156      9.674820
  H       0.092169      2.705669      9.674688
  C      -4.051049      5.288423      7.439641
  C      -4.678620      3.969432      7.039512
  C      -5.670748      3.739916      5.995732
  C      -5.542308      2.498372      5.390578
  N      -4.353454      1.818140      5.721981
  C      -4.234416      0.521533      5.297957
  N      -5.076035     -0.169232      4.540111
  C      -6.207835      0.502564      4.104756
  C      -7.114217     -0.154941      3.267863
  C      -8.247612      0.488361      2.823891
  C      -8.516508      1.803930      3.215346
  C      -7.648923      2.456634      4.052493
  C      -6.484633      1.832645      4.502977
  C      -1.793100      1.758239      3.958801
  C      -1.490898      0.349413      3.479407
  C      -2.163985     -0.382794      2.562668
  C      -3.323402      0.044990      1.793405
  N      -3.519841      1.361992      1.629780
  C      -4.581023      1.755348      0.890873
  N      -5.433897      0.986222      0.249236
  C      -5.274047     -0.366191      0.415858
  C      -6.197140     -1.242016     -0.205284
  C      -6.112633     -2.603863     -0.008458
  C      -5.100715     -3.146020      0.820710
  C      -4.176446     -2.315862      1.424354
  C      -4.229222     -0.910533      1.222038
  C      -3.883064      0.609752      8.605132
  C      -5.020885      1.242766      9.365842
  C      -6.347969      1.194840      9.106916
  C      -7.017679      0.401200      8.077924
  N      -6.436855     -0.715857      7.668070
  C      -7.090943     -1.461939      6.750106
  N      -8.292725     -1.263345      6.245969
  C      -8.899969     -0.109626      6.621404
  C     -10.164187      0.193272      6.081237
  C     -10.779606      1.370352      6.396059
  C     -10.159492      2.308586      7.256197
  C      -8.934640      2.034936      7.812353
  C      -8.285729      0.809508      7.526342
  H      -4.052791      6.039381      6.611720
  H      -4.487934      5.786521      8.336838
  H      -4.910498      3.376255      7.950455
  H      -6.482736      4.437306      5.769392
  H      -3.326288      0.030453      5.620148
  H      -6.892853     -1.173969      2.985307
  H      -8.936009     -0.031164      2.174522
  H      -9.420777      2.317862      2.867452
  H      -7.879304      3.494611      4.367055
  H      -1.191630      2.496806      3.358969
  H      -2.844168      1.996252      3.729970
  H      -0.653897     -0.153883      3.994440
  H      -1.838638     -1.408808      2.404306
  H      -4.722539      2.838495      0.804319
  H      -6.980533     -0.794088     -0.815693
  H      -6.835180     -3.269081     -0.481167
  H      -5.057778     -4.220986      0.987982
  H      -3.424034     -2.745820      2.077406
  H      -3.450198     -0.228327      9.202739
  H      -4.258313      0.151976      7.684825
  H      -4.702233      1.900922     10.182076
  H      -6.996282      1.830503      9.713917
  H      -6.543444     -2.349534      6.400887
  H     -10.611879     -0.527178      5.395348
  H     -11.747712      1.604088      5.964495
  H     -10.653864      3.261165      7.474923
  H      -8.459332      2.774644      8.457768
  N      -2.676849      4.245217      5.101373
  N      -2.691499      4.948999      4.274969
91
Coordinates from ORCA-job orca E -6254.292478231664
  N      -2.748999      4.697813      7.629120
  Mo     -2.769758      2.845877      6.779174
  N      -2.846169      1.600197      8.327822
  C      -1.763735      1.557117      9.300523
  C      -0.921906      2.813251      9.183667
  N      -0.749747      3.156837      7.751459
  C      -0.371701      4.581085      7.576644
  C      -1.568215      5.460982      7.921347
  C       0.216882      2.240408      7.097424
  C      -0.091551      2.150335      5.619201
  N      -1.503585      1.879634      5.419202
  H      -1.522004      6.395498      7.328542
  H      -1.542731      5.770287      8.985237
  H      -0.102998      4.709886      6.524872
  H       0.511851      4.820286      8.193533
  H       0.530706      1.347518      5.183491
  H       0.210903      3.080040      5.088864
  H       0.091810      1.247188      7.552252
  H       1.248412      2.580768      7.290616
  H      -2.152937      1.494796     10.329100
  H      -1.154609      0.644998      9.153309
  H      -1.449192      3.646759      9.654308
  H       0.058924      2.698270      9.670271
  C      -4.044995      5.273552      7.412588
  C      -4.684232      3.966155      7.018240
  C      -5.663593      3.724058      5.975402
  C      -5.540484      2.500031      5.384726
  N      -4.359038      1.815627      5.714139
  C      -4.231624      0.524940      5.303717
  N      -5.051584     -0.158122      4.556842
  C      -6.181811      0.497198      4.115042
  C      -7.070063     -0.201130      3.267153
  C      -8.227856      0.400257      2.809571
  C      -8.528650      1.709378      3.202046
  C      -7.668395      2.415684      4.048201
  C      -6.479877      1.828284      4.506533
  C      -1.776946      1.720162      3.999265
  C      -1.510247      0.332942      3.533552
  C      -2.193721     -0.369566      2.608236
  C      -3.319988      0.087905      1.817503
  N      -3.468471      1.385539      1.629961
  C      -4.510156      1.786260      0.869712
  N      -5.395001      1.053111      0.221117
  C      -5.278950     -0.283981      0.403995
  C      -6.222051     -1.134556     -0.219787
  C      -6.170549     -2.484417     -0.003757
  C      -5.178508     -3.032321      0.840964
  C      -4.237307     -2.224511      1.445545
  C      -4.252762     -0.835759      1.229907
  C      -3.899155      0.627834      8.631618
  C      -5.014248      1.306306      9.373192
  C      -6.338345      1.263394      9.100629
  C      -6.988410      0.441454      8.078875
  N      -6.391411     -0.699568      7.693953
  C      -7.028896     -1.474925      6.778789
  N      -8.230078     -1.296175      6.268883
  C      -8.860652     -0.130842      6.630008
  C     -10.136006      0.146999      6.085693
  C     -10.773563      1.333532      6.392985
  C     -10.158420      2.279279      7.247759
  C      -8.921529      2.029168      7.800354
  C      -8.253481      0.817465      7.522018
  H      -4.048944      6.010947      6.597558
  H      -4.477032      5.766495      8.296996
  H      -4.903372      3.391322      7.915718
  H      -6.468436      4.413214      5.744238
  H      -3.319887      0.025196      5.628054
  H      -6.814981     -1.228691      2.980610
  H      -8.905958     -0.155761      2.146636
  H      -9.444866      2.171503      2.852205
  H      -7.916724      3.419785      4.365968
  H      -1.174547      2.427696      3.422122
  H      -2.803471      1.977117      3.758508
  H      -0.706642     -0.182339      4.057062
  H      -1.904851     -1.397921      2.458263
  H      -4.613983      2.861830      0.772950
  H      -6.992488     -0.681675     -0.846866
  H      -6.906742     -3.137085     -0.475158
  H      -5.163208     -4.101312      1.021593
  H      -3.494347     -2.657541      2.116375
  H      -3.483070     -0.196993      9.240423
  H      -4.285307      0.152456      7.722526
  H      -4.691151      1.987784     10.173263
  H      -6.997387      1.916210      9.682081
  H      -6.476932     -2.361920      6.442364
  H     -10.574577     -0.591559      5.407583
  H     -11.753166      1.547274      5.967744
  H     -10.665796      3.211612      7.470501
  H      -8.452309      2.772606      8.446038
  N      -2.671848      4.206191      5.065652
  N      -2.646424      4.917661      4.211400
91
Coordinates from ORCA-job orca E -6254.288782579466
  N      -2.750954      4.694457      7.609709
  Mo     -2.775299      2.834903      6.776957
  N      -2.857004      1.601227      8.335965
  C      -1.778159      1.567328      9.310022
  C      -0.935152      2.819374      9.185888
  N      -0.753622      3.150732      7.749946
  C      -0.367310      4.570151      7.564822
  C      -1.565819      5.453924      7.895296
  C       0.217029      2.227748      7.105049
  C      -0.087476      2.135371      5.626717
  N      -1.503905      1.869600      5.430707
  H      -1.511364      6.381103      7.291404
  H      -1.546292      5.774302      8.955620
  H      -0.090907      4.690329      6.509715
  H       0.512182      4.812292      8.179073
  H       0.532707      1.334156      5.184979
  H       0.222354      3.067131      5.099368
  H       0.086708      1.240618      7.564497
  H       1.250167      2.564216      7.298160
  H      -2.172684      1.513521     10.340090
  H      -1.165927      0.656870      9.176183
  H      -1.465272      3.655952      9.646977
  H       0.042312      2.707446      9.678371
  C      -4.047109      5.280684      7.378915
  C      -4.688120      3.956428      6.995206
  C      -5.665106      3.703807      5.943905
  C      -5.542399      2.477884      5.374414
  N      -4.357738      1.795513      5.721690
  C      -4.226064      0.506397      5.339092
  N      -5.038949     -0.193106      4.601908
  C      -6.170928      0.451493      4.133152
  C      -7.050501     -0.256215      3.284591
  C      -8.211645      0.357570      2.792230
  C      -8.524272      1.689093      3.152970
  C      -7.671298      2.397769      4.002093
  C      -6.477376      1.797069      4.494473
  C      -1.787150      1.724580      4.003453
  C      -1.502483      0.330763      3.523345
  C      -2.198778     -0.363420      2.599907
  C      -3.355198      0.136943      1.840390
  N      -3.540127      1.471041      1.678774
  C      -4.598846      1.886957      0.947028
  N      -5.465884      1.136619      0.303195
  C      -5.315095     -0.224852      0.459534
  C      -6.237095     -1.091291     -0.158444
  C      -6.152960     -2.465589      0.037024
  C      -5.153143     -3.017978      0.854930
  C      -4.232113     -2.197170      1.452448
  C      -4.276682     -0.789221      1.257482
  C      -3.905789      0.627327      8.644493
  C      -5.014304      1.285489      9.381943
  C      -6.332854      1.221762      9.108437
  C      -6.974301      0.394340      8.089588
  N      -6.384461     -0.740113      7.712130
  C      -7.026950     -1.497630      6.796039
  N      -8.222562     -1.291677      6.272999
  C      -8.846507     -0.128610      6.624366
  C     -10.118267      0.182146      6.063304
  C     -10.748648      1.375827      6.363655
  C     -10.125336      2.295610      7.217792
  C      -8.887624      2.009131      7.784883
  C      -8.231292      0.785670      7.520794
  H      -4.040651      6.018331      6.539274
  H      -4.490554      5.799960      8.268094
  H      -4.921156      3.367713      7.928026
  H      -6.473593      4.395269      5.698160
  H      -3.306968      0.009603      5.688071
  H      -6.790068     -1.283954      3.018310
  H      -8.882066     -0.190723      2.124996
  H      -9.438096      2.167539      2.772389
  H      -7.921398      3.422970      4.285310
  H      -1.186869      2.449516      3.385248
  H      -2.835351      1.994190      3.782556
  H      -0.681000     -0.204145      4.022230
  H      -1.899772     -1.423108      2.420901
  H      -4.730168      2.985843      0.870603
  H      -7.015976     -0.636051     -0.762856
  H      -6.871672     -3.132758     -0.428511
  H      -5.113563     -4.104614      1.021065
  H      -3.479543     -2.636008      2.104212
  H      -3.486820     -0.181253      9.255123
  H      -4.292440      0.144373      7.749468
  H      -4.697408      1.966286     10.174236
  H      -6.995597      1.864965      9.681762
  H      -6.490345     -2.386324      6.467615
  H     -10.559193     -0.532081      5.382317
  H     -11.725721      1.618760      5.924347
  H     -10.623787      3.243089      7.427491
  H      -8.407165      2.737206      8.425521
  N      -2.656852      4.167368      5.037507
  N      -2.606405      4.858825      4.124447
91
Coordinates from ORCA-job orca E -6254.290767661851
  N      -2.747430      4.722199      7.640494
  Mo     -2.767275      2.859449      6.785435
  N      -2.839459      1.602844      8.336275
  C      -1.753244      1.553816      9.314317
  C      -0.910914      2.821655      9.201553
  N      -0.742886      3.172818      7.757876
  C      -0.360960      4.605446      7.583412
  C      -1.564419      5.490226      7.933374
  C       0.226748      2.250943      7.089814
  C      -0.084036      2.162676      5.612754
  N      -1.506226      1.895237      5.419611
  H      -1.519222      6.428830      7.337103
  H      -1.544411      5.802116      9.005535
  H      -0.090643      4.733856      6.519617
  H       0.529108      4.841981      8.200109
  H       0.537968      1.350703      5.166115
  H       0.221679      3.096593      5.078333
  H       0.098605      1.255689      7.545133
  H       1.261862      2.586370      7.278249
  H      -2.146333      1.489950     10.357456
  H      -1.136263      0.627926      9.165401
  H      -1.444625      3.661411      9.681712
  H       0.080714      2.709258      9.686527
  C      -4.045789      5.302179      7.422889
  C      -4.683960      3.978939      7.026035
  C      -5.674960      3.741115      5.981018
  C      -5.544012      2.489625      5.387042
  N      -4.347662      1.817782      5.721128
  C      -4.221758      0.520265      5.309168
  N      -5.053915     -0.195651      4.549481
  C      -6.195994      0.462915      4.101019
  C      -7.092498     -0.208787      3.247480
  C      -8.237674      0.420134      2.790152
  C      -8.528804      1.735696      3.188530
  C      -7.667151      2.404273      4.039364
  C      -6.488629      1.799076      4.497154
  C      -1.776554      1.723246      3.996379
  C      -1.498334      0.327560      3.534434
  C      -2.177015     -0.391521      2.607173
  C      -3.309565      0.068996      1.801450
  N      -3.459405      1.395375      1.619825
  C      -4.507806      1.813726      0.854251
  N      -5.392490      1.065209      0.206058
  C      -5.277648     -0.293087      0.388206
  C      -6.233392     -1.149132     -0.234813
  C      -6.193199     -2.514675     -0.019143
  C      -5.197242     -3.075575      0.827255
  C      -4.242568     -2.265643      1.433226
  C      -4.247753     -0.861113      1.216204
  C      -3.894678      0.624786      8.637890
  C      -5.020312      1.272106      9.390095
  C      -6.340332      1.216080      9.123089
  C      -6.991515      0.398406      8.099637
  N      -6.401947     -0.723472      7.711052
  C      -7.048455     -1.488786      6.796757
  N      -8.245459     -1.306261      6.277877
  C      -8.864891     -0.151619      6.635394
  C     -10.134388      0.133529      6.084282
  C     -10.766721      1.329821      6.385820
  C     -10.155844      2.295852      7.238743
  C      -8.921718      2.032401      7.805399
  C      -8.258352      0.790028      7.535654
  H      -4.047860      6.057293      6.587188
  H      -4.485402      5.807021      8.326205
  H      -4.912314      3.375382      7.944869
  H      -6.495315      4.439836      5.744845
  H      -3.302823      0.038414      5.641683
  H      -6.853955     -1.223024      2.959090
  H      -8.917857     -0.102091      2.125717
  H      -9.436222      2.231392      2.835326
  H      -7.905181      3.430194      4.353511
  H      -1.162476      2.445524      3.408115
  H      -2.805956      1.970037      3.757807
  H      -0.690244     -0.175655      4.072428
  H      -1.888391     -1.428121      2.467501
  H      -4.609861      2.900833      0.753100
  H      -7.004149     -0.688719     -0.860607
  H      -6.941038     -3.167723     -0.490561
  H      -5.191419     -4.152146      1.009324
  H      -3.503640     -2.708517      2.104427
  H      -3.472307     -0.204863      9.244665
  H      -4.277773      0.159101      7.727101
  H      -4.702647      1.943724     10.193875
  H      -6.997996      1.860024      9.710166
  H      -6.504538     -2.370031      6.463010
  H     -10.572333     -0.606378      5.403103
  H     -11.740946      1.551726      5.946792
  H     -10.661002      3.262017      7.445997
  H      -8.450118      2.789929      8.447690
  N      -2.668486      4.220470      5.070408
  N      -2.645547      4.933141      4.195928
91
Coordinates from ORCA-job orca E -6254.287980224492
  N      -2.756215      4.692663      7.638886
  Mo     -2.771255      2.845529      6.783235
  N      -2.836669      1.596191      8.325832
  C      -1.751706      1.555316      9.296283
  C      -0.914880      2.813644      9.183077
  N      -0.746085      3.161678      7.753839
  C      -0.372907      4.585167      7.583452
  C      -1.576608      5.460344      7.930410
  C       0.223176      2.255366      7.095421
  C      -0.088862      2.169750      5.623121
  N      -1.502455      1.893668      5.420622
  H      -1.536060      6.393056      7.338655
  H      -1.553507      5.768988      8.994285
  H      -0.104739      4.716682      6.533040
  H       0.513386      4.825084      8.199337
  H       0.533483      1.375957      5.184222
  H       0.208605      3.097758      5.100715
  H       0.103259      1.266036      7.545568
  H       1.253661      2.597285      7.287734
  H      -2.141630      1.488523     10.323329
  H      -1.136324      0.647874      9.148823
  H      -1.447191      3.643466      9.656051
  H       0.071490      2.702960      9.668884
  C      -4.054228      5.266351      7.419640
  C      -4.687601      3.957989      7.023283
  C      -5.668679      3.716825      5.976924
  C      -5.545625      2.490628      5.384007
  N      -4.359076      1.809662      5.715205
  C      -4.231540      0.518742      5.302572
  N      -5.058744     -0.164234      4.554728
  C      -6.190252      0.501701      4.114520
  C      -7.081503     -0.181260      3.275040
  C      -8.229577      0.431260      2.825274
  C      -8.519132      1.739098      3.213535
  C      -7.658645      2.423324      4.051764
  C      -6.482707      1.827519      4.505649
  C      -1.778870      1.737030      3.979687
  C      -1.494915      0.337684      3.509165
  C      -2.172855     -0.380524      2.585156
  C      -3.310703      0.065018      1.808295
  N      -3.476907      1.366622      1.635599
  C      -4.526418      1.766281      0.886356
  N      -5.404097      1.025717      0.238834
  C      -5.275446     -0.314343      0.407863
  C      -6.218562     -1.167750     -0.221452
  C      -6.158971     -2.522641     -0.023868
  C      -5.156486     -3.077565      0.810503
  C      -4.214029     -2.266841      1.420960
  C      -4.239203     -0.868803      1.221396
  C      -3.889349      0.618887      8.624178
  C      -5.010965      1.292652      9.377054
  C      -6.339403      1.253199      9.112356
  C      -6.999340      0.442357      8.087078
  N      -6.400602     -0.707664      7.700467
  C      -7.041122     -1.475914      6.784478
  N      -8.247003     -1.277232      6.269514
  C      -8.876719     -0.104683      6.629638
  C     -10.150527      0.185609      6.081172
  C     -10.782688      1.360114      6.389054
  C     -10.168147      2.301951      7.246741
  C      -8.937050      2.049425      7.801960
  C      -8.270508      0.835265      7.525569
  H      -4.057275      6.003651      6.605965
  H      -4.487885      5.757169      8.300627
  H      -4.906987      3.378898      7.921533
  H      -6.471203      4.404939      5.748500
  H      -3.316233      0.014848      5.628841
  H      -6.833402     -1.215435      2.993685
  H      -8.910324     -0.114159      2.169124
  H      -9.429832      2.215751      2.866272
  H      -7.900247      3.428203      4.366650
  H      -1.179791      2.458664      3.382091
  H      -2.819060      1.988003      3.749736
  H      -0.678567     -0.173508      4.025523
  H      -1.867109     -1.408627      2.427308
  H      -4.639917      2.841050      0.798482
  H      -6.994435     -0.710043     -0.839803
  H      -6.894774     -3.174252     -0.501198
  H      -5.133641     -4.150968      0.976862
  H      -3.466597     -2.705759      2.080498
  H      -3.465547     -0.216492      9.233322
  H      -4.275228      0.145384      7.708695
  H      -4.684755      1.968439     10.181889
  H      -6.991195      1.903206      9.705241
  H      -6.487659     -2.369204      6.451501
  H     -10.591964     -0.546170      5.400196
  H     -11.759396      1.577813      5.961287
  H     -10.673822      3.229247      7.467826
  H      -8.469742      2.791547      8.448953
  N      -2.679770      4.224194      5.090566
  N      -2.685257      4.933747      4.282671
91
Coordinates from ORCA-job orca E -6254.290427618643
  N      -2.737952      4.711673      7.622769
  Mo     -2.764339      2.841769      6.773037
  N      -2.856620      1.605763      8.325420
  C      -1.778959      1.556900      9.307552
  C      -0.926829      2.811783      9.191417
  N      -0.743678      3.151986      7.756118
  C      -0.355818      4.579619      7.575813
  C      -1.551387      5.469985      7.912522
  C       0.222935      2.220514      7.108601
  C      -0.079226      2.130957      5.627013
  N      -1.499057      1.875256      5.423770
  H      -1.495342      6.404175      7.313122
  H      -1.531420      5.785080      8.977400
  H      -0.079958      4.701317      6.520284
  H       0.526075      4.818744      8.196911
  H       0.538496      1.318536      5.184836
  H       0.233715      3.065447      5.097026
  H       0.088374      1.224463      7.567627
  H       1.259412      2.555733      7.304070
  H      -2.176304      1.506769     10.340481
  H      -1.173843      0.632599      9.170304
  H      -1.452083      3.652227      9.660806
  H       0.052442      2.690016      9.682825
  C      -4.030344      5.299777      7.403212
  C      -4.670796      3.979975      7.011236
  C      -5.651556      3.746391      5.975537
  C      -5.541944      2.517766      5.390692
  N      -4.363391      1.823851      5.708860
  C      -4.251161      0.531356      5.306276
  N      -5.078100     -0.152586      4.572885
  C      -6.200129      0.500304      4.135644
  C      -7.092271     -0.194692      3.280713
  C      -8.242940      0.427655      2.815905
  C      -8.539220      1.749842      3.210082
  C      -7.674221      2.450156      4.063841
  C      -6.488932      1.842178      4.523648
  C      -1.793330      1.720117      3.995247
  C      -1.513556      0.329398      3.515838
  C      -2.204465     -0.370374      2.597652
  C      -3.343293      0.096246      1.808605
  N      -3.517213      1.407468      1.631509
  C      -4.560707      1.810695      0.881432
  N      -5.428176      1.067893      0.241018
  C      -5.284300     -0.279988      0.415522
  C      -6.208071     -1.138892     -0.194414
  C      -6.130475     -2.495653      0.018915
  C      -5.132665     -3.039424      0.849844
  C      -4.213070     -2.223905      1.444621
  C      -4.253985     -0.832442      1.229454
  C      -3.918896      0.645242      8.627162
  C      -5.029663      1.316169      9.362277
  C      -6.351093      1.259124      9.083708
  C      -6.994986      0.423414      8.066997
  N      -6.405171     -0.704702      7.682194
  C      -7.046149     -1.492834      6.777532
  N      -8.242220     -1.315879      6.267908
  C      -8.863676     -0.152506      6.623006
  C     -10.132467      0.115784      6.087721
  C     -10.752676      1.286653      6.395730
  C     -10.127404      2.231357      7.237156
  C      -8.897435      1.987587      7.785676
  C      -8.250337      0.786721      7.513657
  H      -4.024899      6.043604      6.572601
  H      -4.466836      5.807133      8.296339
  H      -4.899946      3.389048      7.915986
  H      -6.454984      4.439998      5.750754
  H      -3.347187      0.028376      5.635499
  H      -6.843339     -1.217245      2.988082
  H      -8.922880     -0.113366      2.141028
  H      -9.450015      2.237773      2.851185
  H      -7.910137      3.483490      4.372809
  H      -1.199313      2.431696      3.398008
  H      -2.836477      1.986847      3.764790
  H      -0.688694     -0.196340      4.031020
  H      -1.908898     -1.406751      2.451101
  H      -4.683662      2.899368      0.787674
  H      -6.983825     -0.687895     -0.809284
  H      -6.850711     -3.157532     -0.441107
  H      -5.096793     -4.111859      1.030593
  H      -3.467781     -2.655547      2.108668
  H      -3.513418     -0.170687      9.233343
  H      -4.308523      0.174709      7.725419
  H      -4.709197      1.997400     10.159697
  H      -7.018406      1.910147      9.653972
  H      -6.501090     -2.388435      6.446854
  H     -10.578090     -0.619240      5.416440
  H     -11.726879      1.499565      5.972798
  H     -10.617870      3.165872      7.448581
  H      -8.416399      2.734955      8.416425
  N      -2.659533      4.185331      5.037361
  N      -2.602211      4.883611      4.156700
91
Coordinates from ORCA-job orca E -6254.289892568256
  N      -2.755183      4.698568      7.621224
  Mo     -2.769361      2.843516      6.777700
  N      -2.842851      1.598616      8.331725
  C      -1.762968      1.563885      9.305555
  C      -0.926953      2.822547      9.189350
  N      -0.751183      3.165526      7.754044
  C      -0.372875      4.588018      7.574945
  C      -1.575579      5.464563      7.911455
  C       0.221804      2.250274      7.102407
  C      -0.080910      2.158533      5.625118
  N      -1.496289      1.887597      5.425043
  H      -1.529192      6.394782      7.313391
  H      -1.557497      5.779187      8.974438
  H      -0.099254      4.713817      6.519759
  H       0.507858      4.829204      8.189477
  H       0.542045      1.357802      5.184676
  H       0.223033      3.090881      5.096108
  H       0.097091      1.263236      7.558386
  H       1.251064      2.591487      7.295918
  H      -2.157320      1.502637     10.335956
  H      -1.146152      0.655129      9.166271
  H      -1.459133      3.655063      9.658531
  H       0.055013      2.711845      9.677156
  C      -4.053967      5.276029      7.396044
  C      -4.689487      3.955796      7.003581
  C      -5.675222      3.702176      5.954604
  C      -5.543043      2.467755      5.377914
  N      -4.346266      1.801343      5.716293
  C      -4.207649      0.508468      5.321611
  N      -5.025892     -0.200952      4.577389
  C      -6.171460      0.442042      4.119863
  C      -7.053459     -0.249779      3.271595
  C      -8.212555      0.359142      2.797455
  C      -8.524942      1.671875      3.176072
  C      -7.673833      2.365623      4.022614
  C      -6.480557      1.775267      4.498153
  C      -1.768112      1.723443      3.998951
  C      -1.490041      0.326696      3.530880
  C      -2.180303     -0.376259      2.606614
  C      -3.316714      0.110946      1.820969
  N      -3.472316      1.438294      1.647072
  C      -4.523240      1.857880      0.894875
  N      -5.409875      1.114341      0.249873
  C      -5.289687     -0.241919      0.420732
  C      -6.242518     -1.097718     -0.197406
  C      -6.195017     -2.466159      0.010624
  C      -5.200007     -3.027826      0.841637
  C      -4.249453     -2.217620      1.442212
  C      -4.258830     -0.811300      1.235032
  C      -3.891509      0.618860      8.634788
  C      -5.009316      1.271969      9.382606
  C      -6.330120      1.212228      9.119014
  C      -6.979452      0.390796      8.102334
  N      -6.388140     -0.735578      7.719906
  C      -7.035532     -1.492031      6.808118
  N      -8.233831     -1.297650      6.288220
  C      -8.859155     -0.138153      6.640752
  C     -10.140473      0.169052      6.082647
  C     -10.784136      1.390809      6.376629
  C     -10.165846      2.332082      7.227549
  C      -8.919095      2.038440      7.798387
  C      -8.248425      0.788148      7.536298
  H      -4.053419      6.017024      6.566885
  H      -4.495912      5.779669      8.285235
  H      -4.917835      3.361831      7.920410
  H      -6.493823      4.390002      5.712639
  H      -3.283807      0.024069      5.658274
  H      -6.796508     -1.264843      2.995290
  H      -8.883296     -0.180365      2.134097
  H      -9.438255      2.148178      2.809795
  H      -7.925999      3.383878      4.317022
  H      -1.153847      2.443492      3.395955
  H      -2.804555      1.984861      3.767194
  H      -0.683246     -0.192734      4.049067
  H      -1.896526     -1.425948      2.449878
  H      -4.629736      2.947278      0.803700
  H      -7.015915     -0.636698     -0.812446
  H      -6.939393     -3.121189     -0.455932
  H      -5.189703     -4.109576      1.017330
  H      -3.506449     -2.662256      2.104393
  H      -3.468473     -0.203924      9.243779
  H      -4.274698      0.144219      7.729063
  H      -4.689767      1.948551     10.177850
  H      -6.986568      1.857303      9.699629
  H      -6.498450     -2.379347      6.481455
  H     -10.579585     -0.558978      5.404448
  H     -11.767174      1.633147      5.935097
  H     -10.673429      3.304089      7.431071
  H      -8.443534      2.779588      8.436934
  N      -2.662354      4.190622      5.049478
  N      -2.613321      4.899361      4.148829
91
Coordinates from ORCA-job orca E -6254.289897614078
  N      -2.740033      4.711760      7.630153
  Mo     -2.761652      2.853006      6.774351
  N      -2.838747      1.600059      8.326399
  C      -1.755601      1.555881      9.305931
  C      -0.908859      2.816119      9.190593
  N      -0.733598      3.165317      7.751970
  C      -0.355017      4.591872      7.572827
  C      -1.557349      5.477913      7.917435
  C       0.236448      2.243636      7.095586
  C      -0.068320      2.154486      5.619310
  N      -1.488058      1.893681      5.420155
  H      -1.511139      6.413844      7.317123
  H      -1.534651      5.794472      8.986636
  H      -0.083481      4.718109      6.512700
  H       0.531439      4.831015      8.192211
  H       0.551369      1.349540      5.183205
  H       0.237023      3.081348      5.090935
  H       0.111291      1.252005      7.553053
  H       1.269804      2.582002      7.282559
  H      -2.150331      1.494696     10.341216
  H      -1.142151      0.635966      9.160202
  H      -1.437220      3.655332      9.670164
  H       0.080098      2.693230      9.676518
  C      -4.037773      5.298570      7.415240
  C      -4.678771      3.984781      7.020891
  C      -5.664054      3.741408      5.969714
  C      -5.544142      2.499259      5.378131
  N      -4.345143      1.819057      5.708707
  C      -4.215232      0.518514      5.304354
  N      -5.053234     -0.194166      4.551541
  C      -6.203015      0.479402      4.103539
  C      -7.103882     -0.199911      3.262840
  C      -8.256486      0.433670      2.809769
  C      -8.547680      1.757122      3.203116
  C      -7.682234      2.428950      4.041845
  C      -6.497234      1.820889      4.495940
  C      -1.758791      1.727131      3.999958
  C      -1.480864      0.334954      3.534259
  C      -2.168770     -0.386727      2.609993
  C      -3.307687      0.074322      1.827004
  N      -3.466788      1.401322      1.665476
  C      -4.521303      1.818942      0.912127
  N      -5.404291      1.070647      0.254240
  C      -5.279917     -0.292595      0.411661
  C      -6.230960     -1.150892     -0.227662
  C      -6.175820     -2.525189     -0.041077
  C      -5.173000     -3.091163      0.793108
  C      -4.223836     -2.275461      1.415714
  C      -4.242055     -0.861303      1.225531
  C      -3.894988      0.624843      8.637839
  C      -5.019397      1.300995      9.382494
  C      -6.339943      1.254993      9.110329
  C      -7.000096      0.429243      8.090348
  N      -6.404856     -0.720339      7.716617
  C      -7.052703     -1.487351      6.807095
  N      -8.260210     -1.289791      6.282621
  C      -8.886512     -0.122218      6.627545
  C     -10.164760      0.151026      6.077263
  C     -10.800300      1.311217      6.384355
  C     -10.184598      2.258313      7.236286
  C      -8.944606      2.030024      7.791714
  C      -8.276948      0.816691      7.521734
  H      -4.037443      6.044141      6.587490
  H      -4.475026      5.799736      8.308902
  H      -4.894946      3.397274      7.934658
  H      -6.483441      4.434664      5.738236
  H      -3.289078      0.022653      5.643918
  H      -6.858714     -1.238064      2.977881
  H      -8.938479     -0.104497      2.152710
  H      -9.460330      2.244635      2.858017
  H      -7.918742      3.433291      4.360428
  H      -1.161514      2.451517      3.415398
  H      -2.777901      1.965703      3.768497
  H      -0.667088     -0.170031      4.053968
  H      -1.867108     -1.427336      2.451578
  H      -4.630507      2.905504      0.826508
  H      -7.006149     -0.684440     -0.844895
  H      -6.914627     -3.181636     -0.526235
  H      -5.152555     -4.175273      0.952013
  H      -3.478418     -2.724175      2.077639
  H      -3.473226     -0.211631      9.253436
  H      -4.278919      0.153393      7.723160
  H      -4.701228      1.984534     10.183430
  H      -6.993521      1.915620      9.689934
  H      -6.502214     -2.374054      6.480161
  H     -10.607877     -0.584138      5.400936
  H     -11.777821      1.503541      5.954022
  H     -10.687813      3.172084      7.456395
  H      -8.468849      2.771219      8.433679
  N      -2.673278      4.222591      5.071843
  N      -2.671417      4.943283      4.230420
91
Coordinates from ORCA-job orca E -6254.289641366737
  N      -2.746885      4.697568      7.621212
  Mo     -2.766230      2.836111      6.772215
  N      -2.850129      1.602306      8.323665
  C      -1.772799      1.561766      9.306214
  C      -0.924299      2.815842      9.188592
  N      -0.743159      3.152714      7.755246
  C      -0.360532      4.576391      7.575094
  C      -1.562812      5.462338      7.909869
  C       0.226416      2.231093      7.107239
  C      -0.075291      2.140396      5.629912
  N      -1.492434      1.878870      5.425475
  H      -1.513102      6.390877      7.308568
  H      -1.543645      5.781949      8.973282
  H      -0.085458      4.697593      6.521520
  H       0.523668      4.818959      8.195154
  H       0.545057      1.332952      5.192949
  H       0.234460      3.068951      5.102119
  H       0.096835      1.241921      7.563982
  H       1.260948      2.568125      7.301511
  H      -2.172765      1.509891     10.336184
  H      -1.161625      0.642813      9.171542
  H      -1.452611      3.655775      9.655597
  H       0.058195      2.698386      9.681486
  C      -4.040739      5.278681      7.395547
  C      -4.676854      3.960897      7.003365
  C      -5.656310      3.719397      5.957908
  C      -5.537295      2.482165      5.376087
  N      -4.354326      1.801884      5.703990
  C      -4.237180      0.513439      5.302379
  N      -5.065050     -0.174317      4.563957
  C      -6.191000      0.476128      4.122060
  C      -7.080913     -0.222494      3.275764
  C      -8.227164      0.375294      2.819599
  C      -8.519552      1.680645      3.209021
  C      -7.657123      2.387217      4.052595
  C      -6.479428      1.803188      4.507882
  C      -1.775986      1.721420      3.985074
  C      -1.490973      0.324605      3.509213
  C      -2.179980     -0.378515      2.590110
  C      -3.322313      0.087746      1.814590
  N      -3.486114      1.391279      1.646641
  C      -4.532622      1.808754      0.903516
  N      -5.411300      1.083272      0.260464
  C      -5.282764     -0.256867      0.425239
  C      -6.222745     -1.094043     -0.193556
  C      -6.161821     -2.444696      0.003679
  C      -5.161214     -3.010352      0.827368
  C      -4.223334     -2.217588      1.428971
  C      -4.248223     -0.827373      1.229703
  C      -3.914812      0.642275      8.624931
  C      -5.028182      1.325286      9.359419
  C      -6.353926      1.282547      9.087388
  C      -7.006021      0.452945      8.076177
  N      -6.410440     -0.695461      7.699954
  C      -7.048630     -1.489549      6.799397
  N      -8.243081     -1.315906      6.289405
  C      -8.867228     -0.141535      6.638465
  C     -10.134761      0.125315      6.100525
  C     -10.767941      1.312337      6.401305
  C     -10.157101      2.278976      7.242914
  C      -8.930805      2.042076      7.791472
  C      -8.266918      0.823298      7.522236
  H      -4.035206      6.017548      6.567467
  H      -4.480161      5.783428      8.280838
  H      -4.906013      3.374530      7.914887
  H      -6.461578      4.408737      5.725255
  H      -3.331694      0.015437      5.633518
  H      -6.832605     -1.240149      2.989853
  H      -8.906343     -0.174107      2.155409
  H      -9.431398      2.149579      2.855755
  H      -7.897904      3.404495      4.363312
  H      -1.176966      2.444392      3.375228
  H      -2.831076      1.982111      3.757163
  H      -0.664776     -0.201014      4.019710
  H      -1.881562     -1.409800      2.433491
  H      -4.641929      2.888643      0.818967
  H      -6.997093     -0.627805     -0.802667
  H      -6.895814     -3.085331     -0.464967
  H      -5.138338     -4.079496      0.994098
  H      -3.477382     -2.663701      2.084068
  H      -3.507585     -0.179365      9.237633
  H      -4.303670      0.166786      7.719019
  H      -4.702040      2.008104     10.154496
  H      -7.010610      1.940727      9.662252
  H      -6.502358     -2.386103      6.475138
  H     -10.572727     -0.624081      5.432423
  H     -11.741719      1.520001      5.976944
  H     -10.662848      3.228357      7.453201
  H      -8.463787      2.803911      8.424847
  N      -2.663906      4.198583      5.058600
  N      -2.640389      4.904211      4.228237
91
Coordinates from ORCA-job orca E -6254.289611295642
  N      -2.751879      4.695842      7.635914
  Mo     -2.775267      2.844495      6.779664
  N      -2.850065      1.590402      8.320840
  C      -1.769943      1.550028      9.293663
  C      -0.931345      2.807538      9.182520
  N      -0.755886      3.157477      7.752277
  C      -0.376300      4.583344      7.577622
  C      -1.570211      5.460797      7.922668
  C       0.211004      2.244180      7.096708
  C      -0.096152      2.159702      5.617063
  N      -1.509430      1.892163      5.417165
  H      -1.523083      6.394109      7.327751
  H      -1.544119      5.772534      8.984783
  H      -0.106457      4.712350      6.524879
  H       0.505397      4.820931      8.191121
  H       0.524899      1.354560      5.171565
  H       0.210796      3.100579      5.089368
  H       0.087154      1.249647      7.552496
  H       1.240613      2.589122      7.291428
  H      -2.161294      1.482486     10.320903
  H      -1.160249      0.640461      9.146637
  H      -1.454824      3.640194      9.655786
  H       0.046612      2.690796      9.665799
  C      -4.048303      5.276122      7.418467
  C      -4.691736      3.963765      7.022346
  C      -5.670382      3.719281      5.980314
  C      -5.544930      2.503359      5.397159
  N      -4.363643      1.818716      5.717479
  C      -4.237047      0.523641      5.310456
  N      -5.052257     -0.155440      4.579278
  C      -6.175647      0.498624      4.141199
  C      -7.056135     -0.189294      3.294625
  C      -8.206091      0.437749      2.822512
  C      -8.513595      1.766451      3.203533
  C      -7.664192      2.454874      4.058198
  C      -6.478310      1.839523      4.527069
  C      -1.798512      1.733136      3.988590
  C      -1.519283      0.349955      3.513128
  C      -2.202758     -0.355127      2.591671
  C      -3.337432      0.104054      1.800041
  N      -3.518458      1.410554      1.615591
  C      -4.567240      1.789420      0.859324
  N      -5.429863      1.027888      0.214705
  C      -5.279647     -0.316152      0.395611
  C      -6.197292     -1.202057     -0.221241
  C      -6.111768     -2.561788     -0.005420
  C      -5.110746     -3.083067      0.833300
  C      -4.195067     -2.241919      1.432142
  C      -4.245868     -0.844527      1.216731
  C      -3.893927      0.608733      8.622666
  C      -5.008744      1.260567      9.374763
  C      -6.336114      1.202866      9.117577
  C      -6.991540      0.386419      8.101256
  N      -6.413657     -0.723231      7.706282
  C      -7.061131     -1.471936      6.786445
  N      -8.256421     -1.270698      6.272699
  C      -8.868491     -0.122450      6.639718
  C     -10.143528      0.198478      6.085670
  C     -10.772393      1.396558      6.392666
  C     -10.143547      2.306581      7.253907
  C      -8.904068      2.000109      7.817725
  C      -8.249750      0.779509      7.543324
  H      -4.049879      6.018493      6.598168
  H      -4.483847      5.771715      8.308659
  H      -4.906560      3.378833      7.923501
  H      -6.479661      4.405090      5.754164
  H      -3.326912      0.026297      5.624889
  H      -6.805354     -1.212920      3.014645
  H      -8.875342     -0.096764      2.154481
  H      -9.425011      2.261865      2.836455
  H      -7.922507      3.500016      4.359902
  H      -1.200719      2.447523      3.401389
  H      -2.839953      1.990640      3.755689
  H      -0.707065     -0.162637      4.031165
  H      -1.909584     -1.381819      2.443522
  H      -4.697071      2.875702      0.760494
  H      -6.976356     -0.770717     -0.845743
  H      -6.829573     -3.243667     -0.473081
  H      -5.069008     -4.162340      1.012777
  H      -3.443388     -2.658095      2.100660
  H      -3.466982     -0.208731      9.219013
  H      -4.279616      0.137221      7.718106
  H      -4.684524      1.935972     10.172379
  H      -6.991436      1.849116      9.705929
  H      -6.519796     -2.364319      6.454524
  H     -10.591053     -0.505352      5.398359
  H     -11.753979      1.655393      5.954036
  H     -10.641963      3.270180      7.468599
  H      -8.423388      2.720563      8.465715
  N      -2.677691      4.202051      5.060115
  N      -2.642080      4.912283      4.178920
91
Coordinates from ORCA-job orca E -6254.290386646684
  N      -2.748079      4.699801      7.623113
  Mo     -2.766229      2.848063      6.775552
  N      -2.843630      1.601356      8.329450
  C      -1.765079      1.565930      9.308828
  C      -0.921428      2.822900      9.191832
  N      -0.742616      3.164354      7.753432
  C      -0.360936      4.584962      7.574178
  C      -1.565957      5.465383      7.911519
  C       0.231729      2.246634      7.099903
  C      -0.071044      2.156532      5.623792
  N      -1.488302      1.892109      5.424684
  H      -1.519500      6.394308      7.310266
  H      -1.547679      5.783617      8.976227
  H      -0.085469      4.709758      6.517104
  H       0.522614      4.825231      8.190941
  H       0.550502      1.355068      5.184269
  H       0.235377      3.084075      5.096507
  H       0.106809      1.260519      7.554396
  H       1.262938      2.584411      7.290940
  H      -2.163799      1.507332     10.341905
  H      -1.147624      0.652147      9.171634
  H      -1.452242      3.659157      9.662717
  H       0.062834      2.707110      9.681199
  C      -4.044631      5.282129      7.395295
  C      -4.684717      3.964449      7.001458
  C      -5.667226      3.713195      5.947633
  C      -5.538101      2.466239      5.370343
  N      -4.334007      1.798618      5.712944
  C      -4.197819      0.506253      5.321622
  N      -5.027483     -0.215489      4.572185
  C      -6.182734      0.430464      4.107903
  C      -7.076833     -0.267186      3.263828
  C      -8.242756      0.341375      2.791242
  C      -8.549664      1.653336      3.170280
  C      -7.687791      2.346766      4.013107
  C      -6.487939      1.763898      4.486062
  C      -1.750774      1.726740      3.998607
  C      -1.470369      0.322285      3.527991
  C      -2.161290     -0.387067      2.600929
  C      -3.305320      0.101108      1.829590
  N      -3.466138      1.435891      1.675917
  C      -4.524594      1.869891      0.940068
  N      -5.411741      1.131788      0.291336
  C      -5.288572     -0.231541      0.441820
  C      -6.244599     -1.078049     -0.181504
  C      -6.192854     -2.452090      0.006278
  C      -5.188738     -3.028292      0.821563
  C      -4.234094     -2.227496      1.425303
  C      -4.248386     -0.815406      1.238033
  C      -3.898570      0.627093      8.632787
  C      -5.018294      1.291751      9.370315
  C      -6.337320      1.241920      9.100684
  C      -6.996587      0.418730      8.086386
  N      -6.409994     -0.729965      7.712040
  C      -7.062675     -1.495248      6.806894
  N      -8.262148     -1.294093      6.285947
  C      -8.882056     -0.119077      6.632576
  C     -10.158767      0.173304      6.084288
  C     -10.791341      1.365853      6.390557
  C     -10.168909      2.316761      7.236791
  C      -8.925881      2.052537      7.793274
  C      -8.265393      0.818528      7.522910
  H      -4.041200      6.024791      6.565319
  H      -4.486706      5.786949      8.285356
  H      -4.913692      3.375078      7.924408
  H      -6.486839      4.403747      5.702575
  H      -3.268051      0.025986      5.667075
  H      -6.823141     -1.295084      2.993514
  H      -8.921298     -0.208717      2.133478
  H      -9.467265      2.119287      2.812022
  H      -7.935421      3.345746      4.314932
  H      -1.136132      2.454011      3.398213
  H      -2.784395      1.979698      3.765194
  H      -0.659552     -0.197361      4.041764
  H      -1.866978     -1.444309      2.428986
  H      -4.632008      2.960938      0.861843
  H      -7.023238     -0.606282     -0.783958
  H      -6.938635     -3.099087     -0.464376
  H      -5.173633     -4.112081      0.981099
  H      -3.484799     -2.682194      2.074778
  H      -3.480772     -0.198026      9.249037
  H      -4.279372      0.150998      7.725706
  H      -4.699608      1.971984     10.164686
  H      -6.987735      1.896121      9.677511
  H      -6.528009     -2.390603      6.481431
  H     -10.603934     -0.566260      5.412060
  H     -11.770128      1.583093      5.961017
  H     -10.668657      3.257602      7.453222
  H      -8.445570      2.793817      8.432720
  N      -2.656988      4.203494      5.056448
  N      -2.622176      4.920584      4.161820
91
Coordinates from ORCA-job orca E -6254.289477466087
  N      -2.736604      4.711454      7.610811
  Mo     -2.757132      2.836377      6.777019
  N      -2.844793      1.614365      8.340271
  C      -1.766308      1.581728      9.327024
  C      -0.915919      2.839455      9.200074
  N      -0.732538      3.163242      7.760112
  C      -0.349825      4.590514      7.565688
  C      -1.552250      5.483053      7.891696
  C       0.235647      2.229940      7.120561
  C      -0.068595      2.122260      5.642870
  N      -1.488653      1.861257      5.441093
  H      -1.502965      6.410836      7.280673
  H      -1.530894      5.814742      8.953944
  H      -0.075551      4.701654      6.508680
  H       0.538322      4.839020      8.184383
  H       0.544354      1.305339      5.217788
  H       0.244766      3.042378      5.105897
  H       0.104438      1.242713      7.590272
  H       1.270956      2.572737      7.312149
  H      -2.165666      1.537965     10.358029
  H      -1.156597      0.656551      9.198875
  H      -1.444878      3.691388      9.658012
  H       0.071525      2.726398      9.700599
  C      -4.032355      5.288952      7.381634
  C      -4.673867      3.971438      6.999528
  C      -5.655502      3.730660      5.956279
  C      -5.541709      2.491094      5.371413
  N      -4.361749      1.813949      5.715086
  C      -4.236514      0.513811      5.316905
  N      -5.065955     -0.205780      4.563631
  C      -6.191630      0.457296      4.113919
  C      -7.076225     -0.231874      3.270070
  C      -8.204274      0.393432      2.808662
  C      -8.485945      1.720315      3.188858
  C      -7.635508      2.415046      4.025746
  C      -6.477346      1.807774      4.492048
  C      -1.785721      1.689467      4.013885
  C      -1.512916      0.303896      3.543669
  C      -2.210903     -0.396119      2.620842
  C      -3.347572      0.086010      1.832201
  N      -3.483339      1.406354      1.660406
  C      -4.524407      1.850590      0.904094
  N      -5.419946      1.132413      0.253813
  C      -5.318803     -0.224067      0.417287
  C      -6.279386     -1.048012     -0.220194
  C      -6.247661     -2.412872     -0.030900
  C      -5.255008     -3.006389      0.803988
  C      -4.297062     -2.226130      1.425457
  C      -4.294706     -0.821551      1.235251
  C      -3.908125      0.650185      8.652393
  C      -5.022022      1.347810      9.392309
  C      -6.342830      1.297766      9.117249
  C      -6.979987      0.449350      8.104744
  N      -6.354247     -0.703641      7.755070
  C      -6.971941     -1.518215      6.853852
  N      -8.173792     -1.360150      6.319814
  C      -8.826529     -0.189756      6.639745
  C     -10.090215      0.054208      6.066608
  C     -10.750176      1.231502      6.329784
  C     -10.174623      2.216377      7.172639
  C      -8.950930      2.004929      7.757939
  C      -8.254461      0.794656      7.521070
  H      -4.027001      6.027956      6.545422
  H      -4.475612      5.800194      8.266460
  H      -4.890020      3.382758      7.914058
  H      -6.458161      4.422693      5.725369
  H      -3.322156      0.023660      5.654568
  H      -6.835759     -1.256413      2.989507
  H      -8.874374     -0.142809      2.144697
  H      -9.379184      2.220694      2.827720
  H      -7.866413      3.447012      4.324473
  H      -1.199751      2.395511      3.407685
  H      -2.815012      1.948278      3.791951
  H      -0.689042     -0.225752      4.060419
  H      -1.924013     -1.431706      2.475172
  H      -4.617884      2.936146      0.821681
  H      -7.043384     -0.561190     -0.837991
  H      -6.994731     -3.041049     -0.512897
  H      -5.253381     -4.082649      0.964094
  H      -3.560743     -2.695293      2.085033
  H      -3.494301     -0.180577      9.274257
  H      -4.300492      0.171000      7.743199
  H      -4.697606      2.039602     10.184991
  H      -7.009209      1.957799      9.686594
  H      -6.406945     -2.402309      6.554251
  H     -10.503909     -0.701994      5.395297
  H     -11.718941      1.420954      5.877264
  H     -10.702663      3.151915      7.351954
  H      -8.513240      2.783754      8.391704
  N      -2.664147      4.187847      5.059763
  N      -2.656725      4.898456      4.237550
91
Coordinates from ORCA-job orca E -6254.290935265741
  N      -2.757471      4.698041      7.638175
  Mo     -2.769630      2.847455      6.779802
  N      -2.841613      1.594971      8.324373
  C      -1.763454      1.552903      9.302903
  C      -0.927566      2.813358      9.187903
  N      -0.752751      3.162117      7.752523
  C      -0.377645      4.586490      7.579287
  C      -1.577784      5.463398      7.924810
  C       0.217809      2.249476      7.093552
  C      -0.084694      2.166460      5.614789
  N      -1.498115      1.901067      5.418739
  H      -1.532834      6.395279      7.328522
  H      -1.555054      5.775470      8.989911
  H      -0.107682      4.716570      6.523175
  H       0.504516      4.826433      8.195903
  H       0.538810      1.359835      5.170343
  H       0.221681      3.101949      5.085178
  H       0.092832      1.256221      7.547594
  H       1.247514      2.589390      7.285651
  H      -2.156523      1.487494     10.337764
  H      -1.147511      0.639780      9.157182
  H      -1.457981      3.644978      9.660856
  H       0.051030      2.700978      9.675106
  C      -4.050070      5.279720      7.418364
  C      -4.689379      3.964904      7.020580
  C      -5.676090      3.720917      5.978625
  C      -5.547986      2.487295      5.388243
  N      -4.351833      1.799208      5.708623
  C      -4.221979      0.512278      5.301044
  N      -5.048765     -0.154180      4.561488
  C      -6.191938      0.497650      4.123890
  C      -7.085276     -0.193318      3.270678
  C      -8.253766      0.407865      2.810627
  C      -8.563041      1.706456      3.207588
  C      -7.697125      2.405337      4.061015
  C      -6.495915      1.816924      4.517628
  C      -1.779302      1.751301      3.984792
  C      -1.497480      0.349470      3.516399
  C      -2.175522     -0.367061      2.594377
  C      -3.301128      0.080036      1.800806
  N      -3.459694      1.377381      1.623431
  C      -4.501800      1.765378      0.867333
  N      -5.377760      1.015767      0.217622
  C      -5.248157     -0.322208      0.391649
  C      -6.178113     -1.194433     -0.233681
  C      -6.111956     -2.545321     -0.026140
  C      -5.119958     -3.073618      0.813567
  C      -4.192680     -2.246559      1.421022
  C      -4.222440     -0.857027      1.213059
  C      -3.892738      0.616294      8.612003
  C      -5.012420      1.261790      9.358806
  C      -6.339765      1.211433      9.098607
  C      -7.006981      0.407295      8.079478
  N      -6.443204     -0.715763      7.667229
  C      -7.105352     -1.458978      6.753971
  N      -8.301121     -1.248484      6.257773
  C      -8.897700     -0.093565      6.641991
  C     -10.168734      0.226826      6.115827
  C     -10.771738      1.407058      6.448991
  C     -10.126790      2.319141      7.308205
  C      -8.896195      2.028859      7.845273
  C      -8.263446      0.811406      7.545316
  H      -4.050161      6.024388      6.595290
  H      -4.488402      5.777904      8.309965
  H      -4.910848      3.375078      7.923324
  H      -6.492753      4.413691      5.748703
  H      -3.304050      0.006998      5.624454
  H      -6.823621     -1.209201      2.980650
  H      -8.935530     -0.134894      2.138429
  H      -9.489784      2.177466      2.854079
  H      -7.954195      3.419902      4.374585
  H      -1.170285      2.473439      3.380566
  H      -2.825626      2.020038      3.751189
  H      -0.686984     -0.159638      4.043790
  H      -1.879847     -1.398195      2.452245
  H      -4.615260      2.845447      0.775936
  H      -6.948266     -0.756340     -0.857035
  H      -6.838073     -3.215177     -0.499771
  H      -5.092928     -4.143293      0.986756
  H      -3.450485     -2.667033      2.086360
  H      -3.474307     -0.205916      9.204738
  H      -4.276423      0.153170      7.704408
  H      -4.687641      1.930597     10.161782
  H      -6.989451      1.852629      9.692212
  H      -6.578031     -2.357541      6.407588
  H     -10.631860     -0.479217      5.430780
  H     -11.748515      1.657923      6.034640
  H     -10.608007      3.264078      7.542099
  H      -8.403442      2.752407      8.493480
  N      -2.677506      4.215162      5.070426
  N      -2.658116      4.923115      4.225744
91
Coordinates from ORCA-job orca E -6254.286242673230
  N      -2.750362      4.689077      7.629818
  Mo     -2.776300      2.834014      6.775968
  N      -2.849459      1.586019      8.324115
  C      -1.768098      1.549747      9.294945
  C      -0.925322      2.806667      9.180876
  N      -0.749630      3.150463      7.747250
  C      -0.366288      4.575113      7.570043
  C      -1.566787      5.456086      7.913623
  C       0.221236      2.234751      7.090818
  C      -0.090554      2.148016      5.616456
  N      -1.509952      1.880916      5.415935
  H      -1.522028      6.386836      7.313612
  H      -1.543268      5.773675      8.976523
  H      -0.094807      4.701260      6.514676
  H       0.518151      4.814701      8.181121
  H       0.529330      1.348501      5.172124
  H       0.214838      3.081536      5.092368
  H       0.099047      1.244728      7.542462
  H       1.253873      2.576003      7.281497
  H      -2.162444      1.488413     10.323079
  H      -1.154459      0.640677      9.154369
  H      -1.452959      3.640689      9.652201
  H       0.055919      2.690556      9.666655
  C      -4.049159      5.272172      7.408446
  C      -4.688711      3.955704      7.011527
  C      -5.666320      3.714048      5.964411
  C      -5.545346      2.491515      5.390181
  N      -4.363516      1.809744      5.718223
  C      -4.243989      0.520809      5.313123
  N      -5.061547     -0.169874      4.579055
  C      -6.189822      0.488719      4.134463
  C      -7.077789     -0.194162      3.295662
  C      -8.231443      0.432006      2.831197
  C      -8.529562      1.755981      3.213601
  C      -7.670100      2.431903      4.054282
  C      -6.484851      1.823953      4.517314
  C      -1.782250      1.718359      3.990732
  C      -1.495751      0.329141      3.502535
  C      -2.174288     -0.375802      2.572901
  C      -3.324040      0.100287      1.804237
  N      -3.530653      1.427567      1.643080
  C      -4.595470      1.827801      0.906465
  N      -5.453273      1.073441      0.267161
  C      -5.281195     -0.280767      0.425739
  C      -6.198895     -1.148997     -0.187023
  C      -6.092950     -2.520055      0.007390
  C      -5.069780     -3.070157      0.817565
  C      -4.153797     -2.245772      1.411108
  C      -4.225654     -0.836181      1.219074
  C      -3.902104      0.614655      8.633409
  C      -5.015503      1.280555      9.381938
  C      -6.340464      1.231438      9.116767
  C      -6.996849      0.410890      8.099166
  N      -6.410311     -0.720479      7.724884
  C      -7.059895     -1.479941      6.812946
  N      -8.258216     -1.285431      6.289291
  C      -8.881161     -0.118729      6.639188
  C     -10.161269      0.180390      6.081441
  C     -10.799520      1.382237      6.384126
  C     -10.175107      2.324966      7.235155
  C      -8.927054      2.045762      7.799524
  C      -8.263921      0.808721      7.532873
  H      -4.047107      6.015830      6.583675
  H      -4.489500      5.774931      8.299119
  H      -4.912784      3.360674      7.931544
  H      -6.475734      4.404447      5.725703
  H      -3.334907      0.024650      5.636462
  H      -6.831376     -1.227526      3.019118
  H      -8.905616     -0.107338      2.174232
  H      -9.434950      2.238593      2.859324
  H      -7.909541      3.443603      4.358578
  H      -1.180201      2.453383      3.400349
  H      -2.820356      1.962974      3.758281
  H      -0.690524     -0.178908      4.005732
  H      -1.871271     -1.418395      2.392137
  H      -4.738546      2.915556      0.819466
  H      -6.995893     -0.698225     -0.789045
  H      -6.812985     -3.186994     -0.456460
  H      -5.011955     -4.158550      0.981116
  H      -3.385304     -2.680231      2.059385
  H      -3.483232     -0.212595      9.243215
  H      -4.287707      0.143307      7.726110
  H      -4.691653      1.959083     10.176272
  H      -6.992790      1.883741      9.698577
  H      -6.519269     -2.380053      6.489496
  H     -10.603756     -0.555770      5.404058
  H     -11.782182      1.608026      5.947452
  H     -10.678225      3.277349      7.449842
  H      -8.446316      2.776966      8.443002
  N      -2.670994      4.190074      5.053079
  N      -2.623315      4.911113      4.134044
91
Coordinates from ORCA-job orca E -6254.290614971144
  N      -2.755401      4.698365      7.618451
  Mo     -2.762698      2.844719      6.775037
  N      -2.843240      1.608594      8.332020
  C      -1.767676      1.579214      9.316440
  C      -0.926544      2.836125      9.197689
  N      -0.745970      3.167932      7.763168
  C      -0.369628      4.588356      7.578888
  C      -1.574488      5.467648      7.906065
  C       0.229566      2.248521      7.126730
  C      -0.066682      2.145575      5.644897
  N      -1.480411      1.879335      5.438491
  H      -1.530111      6.393807      7.301271
  H      -1.553211      5.791857      8.966099
  H      -0.095296      4.708498      6.527630
  H       0.512624      4.833461      8.199202
  H       0.551509      1.333505      5.221472
  H       0.245063      3.066770      5.107819
  H       0.103984      1.263297      7.589424
  H       1.258404      2.592438      7.328266
  H      -2.165740      1.527453     10.344821
  H      -1.151610      0.665584      9.186586
  H      -1.459709      3.673389      9.657855
  H       0.057482      2.727273      9.694593
  C      -4.053846      5.269468      7.378729
  C      -4.685993      3.959781      6.987627
  C      -5.656971      3.698941      5.932219
  C      -5.528027      2.457455      5.356288
  N      -4.334527      1.796047      5.706476
  C      -4.199539      0.493974      5.316537
  N      -5.023598     -0.250085      4.563907
  C      -6.163101      0.385264      4.100135
  C      -7.044309     -0.335012      3.251072
  C      -8.197834      0.258293      2.774368
  C      -8.508839      1.596261      3.145654
  C      -7.659213      2.322515      3.989584
  C      -6.468870      1.741287      4.471061
  C      -1.757357      1.717705      4.004373
  C      -1.488273      0.322064      3.544324
  C      -2.188740     -0.372777      2.620931
  C      -3.332889      0.123933      1.842057
  N      -3.467464      1.457296      1.680052
  C      -4.513639      1.901600      0.933838
  N      -5.409745      1.171274      0.278617
  C      -5.315226     -0.192207      0.433030
  C      -6.277902     -1.030259     -0.207983
  C      -6.256309     -2.403028     -0.023356
  C      -5.275885     -2.984941      0.809546
  C      -4.312346     -2.192804      1.430639
  C      -4.295084     -0.783824      1.244669
  C      -3.894929      0.631821      8.635716
  C      -5.007524      1.309161      9.380899
  C      -6.326917      1.265229      9.114055
  C      -6.982006      0.437633      8.103756
  N      -6.390539     -0.715068      7.746200
  C      -7.037470     -1.501190      6.850839
  N      -8.231968     -1.311296      6.325083
  C      -8.851598     -0.134919      6.653947
  C     -10.116351      0.146083      6.093736
  C     -10.749000      1.350128      6.372050
  C     -10.141322      2.307392      7.214845
  C      -8.911926      2.049079      7.787162
  C      -8.247167      0.819790      7.534067
  H      -4.049377      6.003430      6.555538
  H      -4.500223      5.770017      8.254475
  H      -4.903894      3.383949      7.891409
  H      -6.464918      4.383556      5.685493
  H      -3.277658      0.022180      5.664162
  H      -6.787252     -1.359309      2.978099
  H      -8.865725     -0.306526      2.109016
  H      -9.423486      2.067775      2.773543
  H      -7.912264      3.359169      4.282667
  H      -1.149650      2.417529      3.388392
  H      -2.797465      1.992082      3.777900
  H      -0.663261     -0.226449      4.063202
  H      -1.905245     -1.422888      2.470734
  H      -4.604027      2.995518      0.858701
  H      -7.035925     -0.552530     -0.824712
  H      -7.005613     -3.044253     -0.508428
  H      -5.284562     -4.066001      0.966821
  H      -3.579811     -2.654527      2.090778
  H      -3.474721     -0.196940      9.248963
  H      -4.282868      0.157776      7.726395
  H      -4.682546      1.991640     10.173915
  H      -6.982807      1.923027      9.691556
  H      -6.505899     -2.388829      6.538778
  H     -10.552317     -0.595728      5.424996
  H     -11.718919      1.572143      5.928302
  H     -10.644912      3.263119      7.408295
  H      -8.445857      2.804115      8.421169
  N      -2.655388      4.202384      5.061485
  N      -2.639229      4.925372      4.196250
91
Coordinates from ORCA-job orca E -6254.286916485514
  N      -2.749518      4.705008      7.625004
  Mo     -2.765812      2.844003      6.776762
  N      -2.843529      1.605967      8.330518
  C      -1.765818      1.567555      9.312370
  C      -0.923181      2.825564      9.187918
  N      -0.745960      3.162574      7.748829
  C      -0.366872      4.588449      7.565194
  C      -1.568733      5.472775      7.904731
  C       0.223946      2.241275      7.094901
  C      -0.079293      2.147577      5.618968
  N      -1.495986      1.885032      5.423806
  H      -1.522830      6.401765      7.299587
  H      -1.546664      5.794802      8.968770
  H      -0.095141      4.710521      6.505661
  H       0.518241      4.831823      8.180652
  H       0.540165      1.335651      5.182703
  H       0.231142      3.074683      5.083905
  H       0.095199      1.250127      7.556240
  H       1.257555      2.579536      7.284017
  H      -2.163273      1.512694     10.346923
  H      -1.152019      0.648235      9.175633
  H      -1.454501      3.666731      9.654862
  H       0.058985      2.713801      9.678760
  C      -4.041222      5.287017      7.398029
  C      -4.681651      3.965627      7.008204
  C      -5.669470      3.719838      5.965820
  C      -5.543844      2.477489      5.380362
  N      -4.351991      1.794846      5.711389
  C      -4.222640      0.499607      5.314548
  N      -5.056411     -0.181733      4.573142
  C      -6.195193      0.481425      4.128714
  C      -7.090533     -0.190016      3.282997
  C      -8.242245      0.435140      2.821966
  C      -8.531879      1.729099      3.209232
  C      -7.668527      2.404709      4.052809
  C      -6.487843      1.805748      4.511496
  C      -1.777257      1.727273      4.001460
  C      -1.503458      0.332654      3.528218
  C      -2.183045     -0.384892      2.601569
  C      -3.312847      0.070824      1.814360
  N      -3.470127      1.374632      1.645935
  C      -4.517990      1.790311      0.895118
  N      -5.401383      1.060869      0.243018
  C      -5.275309     -0.283946      0.406880
  C      -6.217695     -1.128046     -0.224731
  C      -6.157499     -2.482976     -0.030852
  C      -5.155302     -3.047266      0.802018
  C      -4.215662     -2.246729      1.415912
  C      -4.240854     -0.851450      1.221385
  C      -3.901456      0.635692      8.629932
  C      -5.019605      1.299313      9.371632
  C      -6.344165      1.246997      9.103083
  C      -6.999018      0.421423      8.086744
  N      -6.412508     -0.723591      7.701105
  C      -7.059830     -1.501659      6.795835
  N      -8.259658     -1.304443      6.281736
  C      -8.876490     -0.134444      6.637323
  C     -10.145401      0.157826      6.093530
  C     -10.766283      1.332884      6.398685
  C     -10.144726      2.274369      7.250221
  C      -8.918591      2.017630      7.804055
  C      -8.263573      0.803915      7.530741
  H      -4.037516      6.030898      6.562141
  H      -4.482985      5.797432      8.290346
  H      -4.907484      3.373201      7.924609
  H      -6.483146      4.412858      5.732952
  H      -3.302682     -0.004794      5.646687
  H      -6.841967     -1.201687      2.998631
  H      -8.923186     -0.087344      2.156411
  H      -9.444496      2.217858      2.853040
  H      -7.910100      3.415368      4.357840
  H      -1.181592      2.441533      3.417155
  H      -2.799868      1.982982      3.769060
  H      -0.689726     -0.180699      4.050773
  H      -1.887167     -1.414655      2.455087
  H      -4.625984      2.872013      0.811162
  H      -6.992006     -0.662946     -0.841584
  H      -6.890549     -3.128523     -0.508406
  H      -5.132117     -4.118654      0.963968
  H      -3.469995     -2.693319      2.072905
  H      -3.484588     -0.184357      9.233804
  H      -4.289687      0.163518      7.724754
  H      -4.695244      1.979784     10.169581
  H      -6.999841      1.896335      9.684687
  H      -6.515595     -2.404982      6.472607
  H     -10.592597     -0.569439      5.416560
  H     -11.740483      1.559141      5.972250
  H     -10.641761      3.212524      7.462175
  H      -8.445938      2.765963      8.445818
  N      -2.674124      4.209861      5.069019
  N      -2.670347      4.912590      4.263187
91
Coordinates from ORCA-job orca E -6254.291602665659
  N      -2.754351      4.697517      7.650120
  Mo     -2.769320      2.842776      6.779620
  N      -2.841005      1.587411      8.324852
  C      -1.760927      1.544479      9.306769
  C      -0.918542      2.806408      9.197208
  N      -0.745256      3.156146      7.759181
  C      -0.367634      4.587093      7.587718
  C      -1.571833      5.469266      7.935165
  C       0.229946      2.240900      7.099780
  C      -0.079144      2.154763      5.619150
  N      -1.499153      1.887429      5.419059
  H      -1.533019      6.403743      7.335579
  H      -1.544375      5.787418      9.003385
  H      -0.099315      4.715838      6.528000
  H       0.520895      4.827032      8.203472
  H       0.541720      1.347866      5.175324
  H       0.228435      3.088775      5.091744
  H       0.110881      1.245464      7.553370
  H       1.260307      2.584969      7.295038
  H      -2.158993      1.482038     10.340692
  H      -1.143731      0.625828      9.166159
  H      -1.449580      3.645330      9.673518
  H       0.066555      2.688496      9.685896
  C      -4.051594      5.279324      7.424616
  C      -4.693356      3.971497      7.021494
  C      -5.666263      3.742384      5.966809
  C      -5.542870      2.512717      5.379726
  N      -4.356611      1.822120      5.710410
  C      -4.239794      0.538235      5.296652
  N      -5.064376     -0.141334      4.557370
  C      -6.194759      0.522091      4.119086
  C      -7.087850     -0.172704      3.283858
  C      -8.231997      0.444837      2.835749
  C      -8.515654      1.772874      3.221246
  C      -7.653165      2.458146      4.056175
  C      -6.482375      1.854810      4.506269
  C      -1.787446      1.742440      3.976425
  C      -1.502572      0.341259      3.500400
  C      -2.189841     -0.370262      2.579364
  C      -3.337929      0.085803      1.800992
  N      -3.510274      1.390001      1.620602
  C      -4.556331      1.774785      0.866212
  N      -5.421896      1.017538      0.224295
  C      -5.282099     -0.321555      0.402858
  C      -6.204039     -1.195111     -0.218034
  C      -6.130596     -2.546205     -0.007714
  C      -5.136497     -3.075629      0.830886
  C      -4.214827     -2.247126      1.433088
  C      -4.253347     -0.855243      1.221726
  C      -3.892150      0.608751      8.625272
  C      -5.010124      1.270349      9.383260
  C      -6.335948      1.225248      9.116309
  C      -6.988455      0.411198      8.089245
  N      -6.399786     -0.716108      7.707667
  C      -7.051196     -1.475687      6.793355
  N      -8.256364     -1.287362      6.275529
  C      -8.877171     -0.127789      6.629989
  C     -10.158085      0.163253      6.079697
  C     -10.786329      1.345045      6.381593
  C     -10.157193      2.293474      7.228634
  C      -8.914041      2.031819      7.787845
  C      -8.256532      0.805051      7.521746
  H      -4.046221      6.028167      6.601509
  H      -4.496544      5.780455      8.315547
  H      -4.913851      3.377942      7.938980
  H      -6.473996      4.439548      5.728309
  H      -3.328999      0.038659      5.611374
  H      -6.847020     -1.223578      3.005821
  H      -8.911092     -0.109827      2.185382
  H      -9.416558      2.252831      2.877840
  H      -7.882302      3.468495      4.367944
  H      -1.177486      2.478187      3.353265
  H      -2.849430      2.010502      3.755334
  H      -0.695001     -0.162901      4.015235
  H      -1.891370     -1.403628      2.423486
  H      -4.675130      2.850368      0.766837
  H      -6.975492     -0.758663     -0.841100
  H      -6.852126     -3.216074     -0.479083
  H      -5.104148     -4.147516      1.006720
  H      -3.472331     -2.665644      2.099894
  H      -3.468757     -0.225120      9.226992
  H      -4.279708      0.144479      7.711384
  H      -4.687818      1.941019     10.188874
  H      -6.995713      1.865479      9.709819
  H      -6.510162     -2.378482      6.472088
  H     -10.608030     -0.570678      5.403529
  H     -11.770346      1.564611      5.949738
  H     -10.657197      3.233482      7.441058
  H      -8.428953      2.774087      8.426023
  N      -2.668744      4.213159      5.067019
  N      -2.636149      4.935300      4.206236
91
Coordinates from ORCA-job orca E -6254.290021169407
  N      -2.759179      4.685597      7.622156
  Mo     -2.774228      2.835317      6.776247
  N      -2.848637      1.596667      8.327389
  C      -1.772137      1.569533      9.303110
  C      -0.931923      2.825804      9.183665
  N      -0.755038      3.160448      7.751010
  C      -0.377307      4.580562      7.567486
  C      -1.578810      5.455890      7.901732
  C       0.218058      2.247744      7.106170
  C      -0.086289      2.147359      5.631807
  N      -1.499102      1.876090      5.430357
  H      -1.535963      6.380747      7.296460
  H      -1.555421      5.779504      8.960093
  H      -0.105456      4.703260      6.515067
  H       0.503768      4.825924      8.180274
  H       0.534389      1.344371      5.200426
  H       0.218957      3.072923      5.098910
  H       0.098443      1.263130      7.564916
  H       1.246518      2.593908      7.298627
  H      -2.168514      1.513998     10.328648
  H      -1.158145      0.662468      9.169893
  H      -1.461508      3.658349      9.647422
  H       0.048532      2.716019      9.672623
  C      -4.055015      5.264956      7.386869
  C      -4.692235      3.946446      6.994771
  C      -5.663401      3.690907      5.942032
  C      -5.537082      2.458685      5.371899
  N      -4.349072      1.790476      5.715216
  C      -4.211816      0.492772      5.322850
  N      -5.030684     -0.221951      4.578839
  C      -6.170950      0.418281      4.119115
  C      -7.056847     -0.283105      3.273275
  C      -8.224509      0.318885      2.792826
  C      -8.539357      1.638168      3.162382
  C      -7.683372      2.350530      4.007356
  C      -6.478925      1.759818      4.491563
  C      -1.767411      1.714558      4.005393
  C      -1.491868      0.329305      3.532144
  C      -2.176467     -0.368700      2.602573
  C      -3.316996      0.117714      1.830204
  N      -3.489052      1.452109      1.672501
  C      -4.548406      1.882438      0.933218
  N      -5.428958      1.145775      0.281018
  C      -5.292077     -0.219197      0.431543
  C      -6.233873     -1.068971     -0.200633
  C      -6.163972     -2.450595     -0.016014
  C      -5.155167     -3.026123      0.805307
  C      -4.216104     -2.219606      1.417743
  C      -4.248409     -0.802719      1.233894
  C      -3.900273      0.623011      8.631225
  C      -5.011699      1.286593      9.375889
  C      -6.333826      1.239956      9.109780
  C      -6.994983      0.420608      8.097875
  N      -6.422461     -0.727567      7.726662
  C      -7.076708     -1.495099      6.826585
  N      -8.263428     -1.292981      6.310801
  C      -8.868309     -0.114608      6.655687
  C     -10.130909      0.191055      6.106034
  C     -10.749463      1.405197      6.403810
  C     -10.124294      2.343068      7.249207
  C      -8.895395      2.059673      7.806098
  C      -8.249234      0.820753      7.539003
  H      -4.048466      6.002372      6.558732
  H      -4.500063      5.771349      8.268189
  H      -4.913556      3.364415      7.905031
  H      -6.470249      4.376924      5.695263
  H      -3.289475      0.010752      5.664780
  H      -6.801705     -1.294426      3.003916
  H      -8.896441     -0.233487      2.131330
  H      -9.463107      2.112268      2.787964
  H      -7.943726      3.383405      4.297778
  H      -1.169308      2.422596      3.417669
  H      -2.789004      1.967630      3.770820
  H      -0.679889     -0.200452      4.046643
  H      -1.884415     -1.412741      2.434686
  H      -4.666186      2.979496      0.856991
  H      -7.017195     -0.597154     -0.809795
  H      -6.898072     -3.103303     -0.494143
  H      -5.126534     -4.117123      0.961225
  H      -3.460724     -2.674560      2.072956
  H      -3.480625     -0.200066      9.237956
  H      -4.286308      0.150777      7.725503
  H      -4.687496      1.964158     10.170234
  H      -6.984902      1.891471      9.690981
  H      -6.552657     -2.395601      6.505486
  H     -10.577261     -0.539100      5.435192
  H     -11.718419      1.643286      5.971721
  H     -10.614379      3.304503      7.460353
  H      -8.414661      2.794991      8.443695
  N      -2.669978      4.191466      5.058621
  N      -2.643047      4.914606      4.166746
91
Coordinates from ORCA-job orca E -6254.294608932054
  N      -2.746214      4.714758      7.619947
  Mo     -2.760817      2.840701      6.775476
  N      -2.844747      1.611836      8.341322
  C      -1.769697      1.584078      9.328938
  C      -0.922533      2.840984      9.198207
  N      -0.742517      3.165885      7.756085
  C      -0.359891      4.592246      7.562409
  C      -1.561307      5.484394      7.892370
  C       0.228673      2.233999      7.112431
  C      -0.070367      2.128698      5.633172
  N      -1.488070      1.868507      5.433619
  H      -1.514094      6.408517      7.277155
  H      -1.538238      5.819046      8.953072
  H      -0.085505      4.703741      6.504077
  H       0.525675      4.837897      8.178465
  H       0.547971      1.310913      5.206210
  H       0.242217      3.049976      5.090905
  H       0.096584      1.245400      7.579861
  H       1.263879      2.571992      7.305346
  H      -2.170757      1.543314     10.362524
  H      -1.157233      0.660527      9.204944
  H      -1.450554      3.687991      9.659012
  H       0.061257      2.728106      9.690892
  C      -4.039404      5.299258      7.382710
  C      -4.677693      3.976643      6.996453
  C      -5.652974      3.725542      5.942771
  C      -5.528973      2.477934      5.369394
  N      -4.346187      1.801171      5.716892
  C      -4.214538      0.497678      5.322935
  N      -5.037024     -0.213411      4.570179
  C      -6.172248      0.439034      4.114268
  C      -7.062018     -0.254368      3.268869
  C      -8.213768      0.365599      2.795854
  C      -8.512362      1.680136      3.172556
  C      -7.654721      2.375508      4.016353
  C      -6.469511      1.783728      4.488502
  C      -1.770182      1.714417      4.012292
  C      -1.498207      0.314729      3.535966
  C      -2.194794     -0.385195      2.614136
  C      -3.334006      0.104121      1.835324
  N      -3.466993      1.425720      1.664761
  C      -4.506384      1.861780      0.909110
  N      -5.399766      1.137041      0.257772
  C      -5.304466     -0.216546      0.427072
  C      -6.266099     -1.048766     -0.202030
  C      -6.243656     -2.407649      0.001814
  C      -5.261428     -2.983517      0.840725
  C      -4.300091     -2.197120      1.450175
  C      -4.287262     -0.800784      1.246728
  C      -3.896312      0.636559      8.651681
  C      -5.019398      1.306781      9.383339
  C      -6.339377      1.243547      9.107802
  C      -6.981081      0.398641      8.095738
  N      -6.382979     -0.747864      7.737663
  C      -7.020744     -1.533063      6.834766
  N      -8.218422     -1.342918      6.301546
  C      -8.848306     -0.174633      6.633212
  C     -10.121007      0.109926      6.067994
  C     -10.761092      1.297956      6.349574
  C     -10.151217      2.251468      7.191426
  C      -8.915592      1.998360      7.764236
  C      -8.246634      0.773382      7.517683
  H      -4.027965      6.035601      6.546169
  H      -4.484249      5.814500      8.264813
  H      -4.909917      3.392062      7.914795
  H      -6.462900      4.411303      5.698425
  H      -3.297317      0.005242      5.664627
  H      -6.815338     -1.275520      2.996159
  H      -8.888176     -0.176958      2.134300
  H      -9.425074      2.155935      2.810225
  H      -7.900205      3.386971      4.319521
  H      -1.168791      2.433225      3.419400
  H      -2.802113      1.977350      3.789976
  H      -0.674278     -0.219273      4.049943
  H      -1.906713     -1.432370      2.455850
  H      -4.593342      2.947854      0.819487
  H      -7.025648     -0.575812     -0.823490
  H      -6.993173     -3.043873     -0.472780
  H      -5.269352     -4.054196      1.011238
  H      -3.568274     -2.650881      2.114719
  H      -3.475308     -0.177944      9.270916
  H      -4.277787      0.153764      7.748181
  H      -4.704034      1.996508     10.176003
  H      -7.007349      1.893774      9.678274
  H      -6.475109     -2.424767      6.529100
  H     -10.557116     -0.624813      5.396033
  H     -11.738773      1.516965      5.905870
  H     -10.659768      3.199321      7.384408
  H      -8.444959      2.753455      8.393833
  N      -2.661963      4.193825      5.051632
  N      -2.641653      4.908997      4.195246
91
Coordinates from ORCA-job orca E -6254.289831460920
  N      -2.753568      4.677190      7.662565
  Mo     -2.779830      2.845972      6.783586
  N      -2.849200      1.580646      8.309915
  C      -1.767182      1.528081      9.280137
  C      -0.923513      2.783011      9.177985
  N      -0.752846      3.145150      7.750584
  C      -0.372949      4.567677      7.591353
  C      -1.570380      5.440160      7.947867
  C       0.215400      2.242236      7.084358
  C      -0.099405      2.169950      5.610994
  N      -1.517114      1.899960      5.407206
  H      -1.530889      6.373600      7.360027
  H      -1.539234      5.744548      9.011884
  H      -0.106606      4.708220      6.539083
  H       0.513878      4.798686      8.204389
  H       0.520528      1.374868      5.160525
  H       0.206073      3.108648      5.095567
  H       0.096238      1.247570      7.527995
  H       1.244786      2.584344      7.279001
  H      -2.161361      1.453347     10.308315
  H      -1.155872      0.618198      9.127443
  H      -1.448320      3.610873      9.661076
  H       0.059759      2.660720      9.659645
  C      -4.044531      5.262184      7.444479
  C      -4.694388      3.969103      7.033412
  C      -5.671554      3.747479      5.985714
  C      -5.554287      2.520307      5.393435
  N      -4.364142      1.824813      5.714844
  C      -4.247920      0.547412      5.296672
  N      -5.081529     -0.116777      4.561006
  C      -6.214879      0.547370      4.131066
  C      -7.111863     -0.142017      3.295457
  C      -8.261241      0.467088      2.854798
  C      -8.546059      1.796078      3.242190
  C      -7.678569      2.480084      4.079055
  C      -6.500675      1.872993      4.524590
  C      -1.795167      1.757163      3.959874
  C      -1.499531      0.365666      3.485176
  C      -2.168131     -0.358641      2.558835
  C      -3.313522      0.072601      1.783953
  N      -3.521099      1.377783      1.616812
  C      -4.582542      1.751822      0.878230
  N      -5.438169      0.983569      0.237974
  C      -5.260368     -0.362807      0.400331
  C      -6.165517     -1.254091     -0.221324
  C      -6.046803     -2.620026     -0.030697
  C      -5.024482     -3.146670      0.790145
  C      -4.121368     -2.298643      1.394397
  C      -4.205410     -0.890130      1.201525
  C      -3.907319      0.608335      8.600879
  C      -5.014838      1.277473      9.361967
  C      -6.340806      1.248162      9.103539
  C      -7.008204      0.444219      8.082720
  N      -6.433274     -0.685867      7.689075
  C      -7.092355     -1.453201      6.783112
  N      -8.291911     -1.262871      6.278767
  C      -8.897116     -0.094462      6.641097
  C     -10.167126      0.190021      6.110114
  C     -10.776472      1.376247      6.422113
  C     -10.138553      2.335721      7.265500
  C      -8.908962      2.071097      7.809881
  C      -8.268333      0.844865      7.530255
  H      -4.039355      6.012215      6.638519
  H      -4.479930      5.746130      8.333577
  H      -4.916458      3.378768      7.926839
  H      -6.474802      4.453717      5.753419
  H      -3.335103      0.046536      5.605061
  H      -6.868740     -1.189240      3.014023
  H      -8.946228     -0.082876      2.202431
  H      -9.455851      2.280559      2.899452
  H      -7.916274      3.507467      4.388827
  H      -1.187063      2.490117      3.352516
  H      -2.855411      2.015681      3.726266
  H      -0.697543     -0.122179      4.005120
  H      -1.858967     -1.377001      2.405496
  H      -4.729317      2.832932      0.792727
  H      -6.959190     -0.820129     -0.830494
  H      -6.754104     -3.303071     -0.503646
  H      -4.954084     -4.232530      0.948673
  H      -3.354535     -2.717419      2.044896
  H      -3.491568     -0.229140      9.196767
  H      -4.299987      0.147820      7.687519
  H      -4.681571      1.943912     10.166832
  H      -6.984817      1.896831      9.702960
  H      -6.561136     -2.368900      6.460407
  H     -10.626759     -0.559147      5.441977
  H     -11.752398      1.593777      6.006904
  H     -10.625823      3.278310      7.487229
  H      -8.422314      2.815324      8.451249
  N      -2.675328      4.233032      5.090425
  N      -2.654569      4.955975      4.269110
91
Coordinates from ORCA-job orca E -6254.295242554350
  N      -2.757967      4.685779      7.635214
  Mo     -2.772122      2.837787      6.781001
  N      -2.840965      1.588405      8.329313
  C      -1.764857      1.553272      9.309225
  C      -0.926357      2.814765      9.191122
  N      -0.752526      3.158402      7.754005
  C      -0.374433      4.583318      7.574393
  C      -1.578470      5.459957      7.913967
  C       0.220783      2.246913      7.098789
  C      -0.083212      2.160844      5.623557
  N      -1.501474      1.892974      5.421493
  H      -1.538090      6.388220      7.307557
  H      -1.557079      5.782096      8.976996
  H      -0.102807      4.711286      6.517976
  H       0.508753      4.826018      8.187869
  H       0.538230      1.358475      5.183287
  H       0.225236      3.092191      5.095751
  H       0.095429      1.256803      7.552919
  H       1.252447      2.586079      7.291395
  H      -2.165012      1.494318     10.341409
  H      -1.146249      0.639897      9.176176
  H      -1.459844      3.647979      9.660971
  H       0.057464      2.705460      9.678627
  C      -4.053735      5.265898      7.403627
  C      -4.688068      3.942777      7.008702
  C      -5.674826      3.696882      5.964130
  C      -5.548028      2.470332      5.378344
  N      -4.355181      1.789906      5.708726
  C      -4.229886      0.508046      5.296640
  N      -5.058048     -0.182329      4.554543
  C      -6.196460      0.468314      4.114339
  C      -7.090306     -0.225556      3.275746
  C      -8.245095      0.379409      2.821346
  C      -8.540444      1.701689      3.203777
  C      -7.677436      2.396747      4.043916
  C      -6.491184      1.797708      4.502136
  C      -1.772850      1.735996      3.982122
  C      -1.485115      0.351187      3.507377
  C      -2.164418     -0.358336      2.580096
  C      -3.309656      0.098668      1.800414
  N      -3.490347      1.409930      1.628569
  C      -4.546704      1.808305      0.880228
  N      -5.417484      1.057666      0.234627
  C      -5.272177     -0.286775      0.402882
  C      -6.203092     -1.151811     -0.221350
  C      -6.124658     -2.512595     -0.022155
  C      -5.116597     -3.058498      0.807588
  C      -4.186442     -2.237883      1.413105
  C      -4.229357     -0.837102      1.214485
  C      -3.897274      0.614123      8.627587
  C      -5.011812      1.270934      9.385774
  C      -6.337444      1.229015      9.124983
  C      -6.999666      0.422317      8.103069
  N      -6.425257     -0.723844      7.723052
  C      -7.082775     -1.485047      6.816400
  N      -8.276673     -1.271673      6.296051
  C      -8.883163     -0.095213      6.648197
  C     -10.152185      0.218383      6.096799
  C     -10.770246      1.411200      6.404809
  C     -10.140948      2.337511      7.261415
  C      -8.909075      2.054265      7.819847
  C      -8.260838      0.828129      7.543474
  H      -4.049809      6.011542      6.568325
  H      -4.499648      5.776509      8.295207
  H      -4.909187      3.352098      7.925561
  H      -6.490570      4.389211      5.728766
  H      -3.311834      0.014468      5.621747
  H      -6.842971     -1.250602      2.996146
  H      -8.924937     -0.167336      2.164180
  H      -9.453859      2.183951      2.849022
  H      -7.921500      3.423715      4.347715
  H      -1.172618      2.457354      3.381975
  H      -2.813068      1.985370      3.751821
  H      -0.665221     -0.161841      4.023892
  H      -1.860270     -1.392107      2.420792
  H      -4.672085      2.891922      0.791097
  H      -6.985602     -0.702684     -0.837020
  H      -6.853144     -3.174845     -0.495410
  H      -5.080081     -4.136790      0.974344
  H      -3.431606     -2.670726      2.071126
  H      -3.478524     -0.218782      9.228038
  H      -4.286610      0.150685      7.717308
  H      -4.683909      1.938558     10.188737
  H      -6.984431      1.875719      9.718517
  H      -6.556289     -2.390191      6.493716
  H     -10.602181     -0.503256      5.417516
  H     -11.744822      1.651054      5.973468
  H     -10.633533      3.282002      7.480465
  H      -8.427442      2.782768      8.466161
  N      -2.671524      4.207453      5.076495
  N      -2.644495      4.929447      4.219420
91
Coordinates from ORCA-job orca E -6254.291171068557
  N      -2.749322      4.715143      7.625017
  Mo     -2.767059      2.846302      6.770875
  N      -2.855708      1.615318      8.327944
  C      -1.775971      1.584099      9.309695
  C      -0.924748      2.832398      9.185178
  N      -0.746111      3.158751      7.749756
  C      -0.362609      4.580688      7.562635
  C      -1.559095      5.475756      7.895582
  C       0.220685      2.223994      7.109080
  C      -0.084040      2.118351      5.627572
  N      -1.498168      1.863175      5.428567
  H      -1.510935      6.398111      7.283820
  H      -1.526650      5.808830      8.953708
  H      -0.090452      4.691887      6.507973
  H       0.525811      4.821294      8.179374
  H       0.529954      1.299622      5.198140
  H       0.228711      3.038630      5.088596
  H       0.089453      1.235079      7.576188
  H       1.254562      2.562366      7.305232
  H      -2.169524      1.540745     10.336756
  H      -1.170342      0.665619      9.178523
  H      -1.446513      3.678822      9.647777
  H       0.057274      2.712392      9.676142
  C      -4.041514      5.296493      7.385926
  C      -4.684649      3.993413      6.992498
  C      -5.644679      3.741662      5.935984
  C      -5.523755      2.491522      5.370556
  N      -4.344739      1.820452      5.718630
  C      -4.205624      0.491764      5.345698
  N      -5.023242     -0.235915      4.603005
  C      -6.155084      0.422972      4.135886
  C      -7.039100     -0.268683      3.288937
  C      -8.193134      0.371122      2.798946
  C      -8.499516      1.677629      3.173216
  C      -7.648919      2.368539      4.018123
  C      -6.460968      1.783365      4.496040
  C      -1.782267      1.712469      4.025216
  C      -1.522027      0.302991      3.544441
  C      -2.221572     -0.388224      2.617990
  C      -3.356214      0.115629      1.841455
  N      -3.489790      1.444936      1.684137
  C      -4.526618      1.889043      0.935913
  N      -5.413529      1.166380      0.277390
  C      -5.311591     -0.198332      0.431074
  C      -6.259326     -1.033431     -0.205749
  C      -6.226423     -2.401590     -0.016103
  C      -5.250265     -2.981201      0.816193
  C      -4.303504     -2.191624      1.432539
  C      -4.299066     -0.788895      1.242137
  C      -3.907524      0.648882      8.646417
  C      -5.019690      1.333978      9.370467
  C      -6.338453      1.270219      9.095439
  C      -6.981652      0.407131      8.098475
  N      -6.389129     -0.732279      7.754901
  C      -7.029816     -1.534338      6.866794
  N      -8.223018     -1.369093      6.336664
  C      -8.845103     -0.200847      6.650377
  C     -10.113421      0.066159      6.085169
  C     -10.746628      1.272708      6.343743
  C     -10.132792      2.255850      7.162887
  C      -8.899667      2.010469      7.739364
  C      -8.239337      0.768674      7.516449
  H      -4.029361      6.026556      6.571011
  H      -4.481968      5.795234      8.258030
  H      -4.920006      3.417004      7.900211
  H      -6.440268      4.425695      5.688257
  H      -3.287633     -0.001784      5.698545
  H      -6.789293     -1.295842      3.024976
  H      -8.862277     -0.165674      2.133890
  H      -9.410279      2.148556      2.807485
  H      -7.895835      3.362038      4.319449
  H      -1.173910      2.434766      3.441705
  H      -2.811531      1.983686      3.801479
  H      -0.711800     -0.241571      4.058224
  H      -1.936640     -1.444944      2.453840
  H      -4.618387      2.982344      0.858409
  H      -7.015817     -0.556536     -0.821666
  H      -6.962863     -3.042593     -0.496381
  H      -5.248963     -4.058712      0.976045
  H      -3.573513     -2.650815      2.093079
  H      -3.488279     -0.156480      9.268792
  H      -4.293417      0.158204      7.749664
  H      -4.699990      2.036712     10.151031
  H      -7.007131      1.931905      9.653248
  H      -6.487841     -2.434820      6.576998
  H     -10.552338     -0.690778      5.430420
  H     -11.721818      1.484194      5.897146
  H     -10.635483      3.224795      7.335687
  H      -8.425191      2.786095      8.353437
  N      -2.655891      4.200513      5.046270
  N      -2.627980      4.919464      4.186922
91
Coordinates from ORCA-job orca E -6254.295513685145
  N      -2.753525      4.702920      7.638646
  Mo     -2.767422      2.838099      6.783776
  N      -2.844476      1.602489      8.340641
  C      -1.764249      1.572125      9.320617
  C      -0.918455      2.827955      9.195506
  N      -0.744349      3.159224      7.757653
  C      -0.364943      4.584366      7.571148
  C      -1.566885      5.472785      7.907688
  C       0.225746      2.232907      7.109695
  C      -0.081326      2.132062      5.631640
  N      -1.498784      1.870189      5.430985
  H      -1.524735      6.396290      7.295445
  H      -1.536806      5.805801      8.967897
  H      -0.094118      4.700262      6.514104
  H       0.523439      4.829279      8.185613
  H       0.537026      1.321313      5.197425
  H       0.227191      3.056828      5.097592
  H       0.098775      1.244156      7.572421
  H       1.259258      2.573241      7.302359
  H      -2.159855      1.523734     10.350710
  H      -1.152178      0.655080      9.188400
  H      -1.445249      3.671119      9.661306
  H       0.066848      2.713610      9.684357
  C      -4.046586      5.286838      7.397728
  C      -4.685819      3.971704      7.007335
  C      -5.654009      3.721232      5.951301
  C      -5.531049      2.477260      5.379649
  N      -4.347237      1.803505      5.724979
  C      -4.215882      0.507979      5.330329
  N      -5.036087     -0.195017      4.581949
  C      -6.172492      0.449913      4.127184
  C      -7.060834     -0.249325      3.281627
  C      -8.216924      0.359276      2.809440
  C      -8.518640      1.675471      3.184725
  C      -7.660639      2.377459      4.028237
  C      -6.472417      1.786054      4.502603
  C      -1.779983      1.722835      4.000036
  C      -1.509807      0.324594      3.521703
  C      -2.197949     -0.377348      2.592218
  C      -3.331102      0.101530      1.811387
  N      -3.485058      1.423646      1.648359
  C      -4.535432      1.849783      0.903182
  N      -5.423081      1.116909      0.254136
  C      -5.303489     -0.240071      0.412853
  C      -6.254368     -1.085133     -0.213841
  C      -6.202059     -2.451216     -0.021724
  C      -5.201685     -3.021731      0.802837
  C      -4.253161     -2.220907      1.411182
  C      -4.269274     -0.816659      1.218906
  C      -3.898862      0.632449      8.652182
  C      -5.017389      1.308453      9.385201
  C      -6.338712      1.253178      9.111944
  C      -6.985713      0.415751      8.100436
  N      -6.396725     -0.733909      7.745819
  C      -7.039954     -1.512476      6.843957
  N      -8.233990     -1.318574      6.309842
  C      -8.854343     -0.145323      6.638149
  C     -10.123438      0.139978      6.075492
  C     -10.754548      1.331143      6.357201
  C     -10.138244      2.288999      7.195530
  C      -8.905536      2.034279      7.765014
  C      -8.246028      0.801868      7.520425
  H      -4.033584      6.022375      6.567095
  H      -4.493703      5.798135      8.277298
  H      -4.921013      3.388442      7.922694
  H      -6.459776      4.407799      5.704191
  H      -3.300636      0.025680      5.666165
  H      -6.810257     -1.272491      3.009508
  H      -8.892344     -0.190500      2.147681
  H      -9.433263      2.150987      2.819580
  H      -7.909491      3.402011      4.325328
  H      -1.172546      2.442555      3.407805
  H      -2.817305      1.990969      3.770957
  H      -0.708592     -0.194954      4.042657
  H      -1.918004     -1.412374      2.435126
  H      -4.638024      2.936921      0.819748
  H      -7.029154     -0.616510     -0.824667
  H      -6.942736     -3.098420     -0.495409
  H      -5.185184     -4.100747      0.963991
  H      -3.506454     -2.670912      2.066242
  H      -3.481239     -0.185058      9.270758
  H      -4.281521      0.149280      7.748111
  H      -4.698505      1.998888     10.175695
  H      -7.000890      1.908705      9.683014
  H      -6.502100     -2.415745      6.544079
  H     -10.564732     -0.600366      5.408036
  H     -11.729918      1.547851      5.917888
  H     -10.639831      3.238024      7.389973
  H      -8.430002      2.788567      8.393864
  N      -2.666027      4.201913      5.067928
  N      -2.645396      4.923326      4.217087
91
Coordinates from ORCA-job orca E -6254.291002409761
  N      -2.746824      4.673895      7.633957
  Mo     -2.774077      2.839336      6.783018
  N      -2.845793      1.588594      8.328496
  C      -1.775189      1.550056      9.310292
  C      -0.934780      2.811728      9.188049
  N      -0.757071      3.157103      7.749654
  C      -0.375381      4.578910      7.566590
  C      -1.571152      5.448872      7.905417
  C       0.213138      2.252145      7.095537
  C      -0.087487      2.167523      5.623213
  N      -1.503716      1.899072      5.428193
  H      -1.530918      6.374997      7.296843
  H      -1.548213      5.770163      8.965892
  H      -0.103285      4.710722      6.510471
  H       0.501437      4.819708      8.176111
  H       0.531141      1.363924      5.183463
  H       0.226387      3.101390      5.091833
  H       0.089299      1.265396      7.550599
  H       1.238981      2.593094      7.284379
  H      -2.179894      1.490185     10.346179
  H      -1.159113      0.633316      9.179116
  H      -1.465053      3.643770      9.656451
  H       0.044149      2.702487      9.674722
  C      -4.038582      5.259490      7.401898
  C      -4.681201      3.938711      7.003939
  C      -5.677879      3.702048      5.964900
  C      -5.549560      2.477684      5.377191
  N      -4.352390      1.778087      5.706016
  C      -4.236906      0.489747      5.297231
  N      -5.070376     -0.183360      4.563047
  C      -6.203963      0.492837      4.121859
  C      -7.098389     -0.190785      3.293100
  C      -8.240251      0.421529      2.849669
  C      -8.526851      1.756197      3.228699
  C      -7.664756      2.438386      4.061834
  C      -6.490921      1.827574      4.507338
  C      -1.778533      1.742676      3.984296
  C      -1.484824      0.366756      3.501868
  C      -2.162750     -0.340644      2.575005
  C      -3.324328      0.111446      1.807215
  N      -3.518735      1.415100      1.637848
  C      -4.572845      1.797068      0.890257
  N      -5.430854      1.038109      0.241129
  C      -5.273308     -0.299080      0.408496
  C      -6.192651     -1.174471     -0.218322
  C      -6.103825     -2.531472     -0.020083
  C      -5.092271     -3.063947      0.809389
  C      -4.171668     -2.232769      1.416662
  C      -4.228867     -0.834343      1.220456
  C      -3.905386      0.615030      8.622877
  C      -5.020208      1.274550      9.374802
  C      -6.343745      1.235005      9.108953
  C      -7.007434      0.419277      8.091264
  N      -6.438108     -0.719493      7.710007
  C      -7.100112     -1.496343      6.811823
  N      -8.293756     -1.300827      6.301706
  C      -8.892591     -0.120368      6.649017
  C     -10.159580      0.185830      6.103286
  C     -10.767158      1.392194      6.401644
  C     -10.130175      2.331558      7.247222
  C      -8.902149      2.048337      7.803759
  C      -8.264157      0.818054      7.533742
  H      -4.031074      6.011906      6.564156
  H      -4.482994      5.767909      8.297534
  H      -4.892408      3.350290      7.908836
  H      -6.498559      4.409108      5.729855
  H      -3.319553     -0.034070      5.624187
  H      -6.859202     -1.229782      3.017979
  H      -8.920664     -0.122279      2.201119
  H      -9.432813      2.242880      2.883693
  H      -7.900878      3.457348      4.372198
  H      -1.187326      2.459567      3.381836
  H      -2.809844      1.987027      3.757985
  H      -0.631825     -0.165748      3.999389
  H      -1.816093     -1.393108      2.395684
  H      -4.708920      2.876375      0.802206
  H      -6.977241     -0.735358     -0.834654
  H      -6.825796     -3.202193     -0.496043
  H      -5.046268     -4.141240      0.974853
  H      -3.414897     -2.658111      2.074320
  H      -3.488111     -0.216065      9.224295
  H      -4.294127      0.150906      7.713514
  H      -4.694116      1.944781     10.177875
  H      -6.989808      1.886810      9.700357
  H      -6.579585     -2.410031      6.493703
  H     -10.616158     -0.550810      5.434150
  H     -11.740252      1.630507      5.973263
  H     -10.614894      3.283155      7.460653
  H      -8.417060      2.786381      8.443117
  N      -2.665117      4.208388      5.078068
  N      -2.628809      4.928263      4.223914
91
Coordinates from ORCA-job orca E -6254.295521230347
  N      -2.758444      4.687178      7.630965
  Mo     -2.769771      2.839487      6.773591
  N      -2.840226      1.590979      8.321882
  C      -1.764970      1.557506      9.305038
  C      -0.925621      2.817327      9.185717
  N      -0.750118      3.158697      7.748718
  C      -0.372396      4.582858      7.568642
  C      -1.577920      5.461422      7.906082
  C       0.223116      2.243688      7.095477
  C      -0.078722      2.156774      5.618410
  N      -1.497075      1.893536      5.416357
  H      -1.538658      6.387249      7.296552
  H      -1.555856      5.786774      8.968268
  H      -0.099146      4.709239      6.512671
  H       0.510927      4.824586      8.183708
  H       0.541321      1.349739      5.179742
  H       0.234024      3.086831      5.088513
  H       0.094704      1.253769      7.550923
  H       1.256047      2.580495      7.290338
  H      -2.167179      1.502616     10.337221
  H      -1.146644      0.641960      9.175561
  H      -1.459283      3.652075      9.653266
  H       0.058075      2.708714      9.674814
  C      -4.054500      5.260944      7.397625
  C      -4.687351      3.943936      6.998140
  C      -5.673844      3.695950      5.955790
  C      -5.546647      2.467546      5.370550
  N      -4.352859      1.793714      5.700321
  C      -4.226405      0.499546      5.300471
  N      -5.057071     -0.205885      4.565172
  C      -6.194499      0.444329      4.119701
  C      -7.089016     -0.254330      3.284562
  C      -8.243651      0.362428      2.820560
  C      -8.539678      1.683540      3.199092
  C      -7.677374      2.377096      4.039040
  C      -6.490239      1.785050      4.498090
  C      -1.768616      1.733073      3.987553
  C      -1.482441      0.344338      3.518819
  C      -2.167983     -0.361318      2.595825
  C      -3.314487      0.105755      1.817794
  N      -3.486048      1.421197      1.652871
  C      -4.538323      1.833399      0.908488
  N      -5.411478      1.090900      0.259968
  C      -5.273543     -0.258494      0.420020
  C      -6.206302     -1.114751     -0.208423
  C      -6.135525     -2.478778     -0.017628
  C      -5.133295     -3.037008      0.808577
  C      -4.202473     -2.225591      1.419119
  C      -4.238072     -0.822173      1.228624
  C      -3.898303      0.619534      8.622720
  C      -5.012316      1.282182      9.375160
  C      -6.337459      1.238816      9.114202
  C      -7.002057      0.421684      8.101434
  N      -6.430058     -0.725622      7.730142
  C      -7.089926     -1.498973      6.833174
  N      -8.282785     -1.290148      6.311834
  C      -8.884459     -0.108851      6.651713
  C     -10.150743      0.202910      6.096698
  C     -10.764688      1.400831      6.392094
  C     -10.134118      2.334592      7.239748
  C      -8.904761      2.051525      7.802828
  C      -8.260917      0.821599      7.538863
  H      -4.050934      6.004346      6.573887
  H      -4.498881      5.760306      8.283547
  H      -4.911380      3.357979      7.910265
  H      -6.489248      4.384818      5.723524
  H      -3.306936      0.003868      5.633379
  H      -6.843067     -1.282984      3.012858
  H      -8.923337     -0.181544      2.163745
  H      -9.453089      2.161132      2.843809
  H      -7.921198      3.389364      4.344907
  H      -1.162600      2.458451      3.385164
  H      -2.814110      1.981902      3.757985
  H      -0.663134     -0.170110      4.037767
  H      -1.874138     -1.390706      2.443638
  H      -4.658532      2.921001      0.826549
  H      -6.983015     -0.655808     -0.820634
  H      -6.864257     -3.134009     -0.494720
  H      -5.101599     -4.116850      0.968556
  H      -3.451697     -2.669278      2.073389
  H      -3.479747     -0.208559      9.227916
  H      -4.287678      0.150920      7.714898
  H      -4.683861      1.955094     10.173214
  H      -6.983878      1.891630      9.701581
  H      -6.565454     -2.412237      6.521380
  H     -10.602012     -0.523498      5.423890
  H     -11.737412      1.642011      5.956695
  H     -10.623710      3.287739      7.447126
  H      -8.422931      2.787293      8.441375
  N      -2.664959      4.211012      5.069437
  N      -2.638927      4.933307      4.218636
91
Coordinates from ORCA-job orca E -6254.292242089447
  N      -2.743056      4.714902      7.642168
  Mo     -2.765588      2.842562      6.791210
  N      -2.857051      1.612715      8.348307
  C      -1.778159      1.582061      9.328054
  C      -0.924520      2.829887      9.204016
  N      -0.742711      3.154217      7.768734
  C      -0.356347      4.576977      7.576429
  C      -1.551532      5.476067      7.904945
  C       0.223950      2.216896      7.130820
  C      -0.080959      2.117335      5.652729
  N      -1.499446      1.864676      5.444913
  H      -1.502300      6.394942      7.288611
  H      -1.517735      5.814432      8.959267
  H      -0.080734      4.685196      6.522591
  H       0.530841      4.821630      8.193634
  H       0.532578      1.307306      5.220757
  H       0.232246      3.038933      5.123798
  H       0.088710      1.226384      7.595582
  H       1.260628      2.553487      7.326582
  H      -2.171254      1.535874     10.350832
  H      -1.172780      0.668115      9.195798
  H      -1.445811      3.677136      9.666945
  H       0.057264      2.705926      9.695709
  C      -4.030872      5.310895      7.391811
  C      -4.677432      3.998697      7.007117
  C      -5.637440      3.740813      5.949031
  C      -5.515317      2.486187      5.389372
  N      -4.336695      1.815922      5.739770
  C      -4.200668      0.519808      5.349677
  N      -5.012399     -0.183427      4.601237
  C      -6.148641      0.454123      4.145247
  C      -7.033993     -0.246589      3.296898
  C      -8.194559      0.352660      2.823352
  C      -8.502175      1.663559      3.193801
  C      -7.647000      2.377637      4.032987
  C      -6.454359      1.786037      4.515503
  C      -1.786980      1.726862      4.013872
  C      -1.529688      0.315504      3.509320
  C      -2.218238     -0.381518      2.569564
  C      -3.345845      0.110714      1.793465
  N      -3.487877      1.434085      1.629673
  C      -4.537718      1.862595      0.881575
  N      -5.434840      1.133148      0.231964
  C      -5.328264     -0.226230      0.394960
  C      -6.292502     -1.069486     -0.227152
  C      -6.255702     -2.432827     -0.026515
  C      -5.260697     -3.000989      0.799975
  C      -4.297318     -2.201907      1.401651
  C      -4.296194     -0.801460      1.201577
  C      -3.910840      0.648343      8.668909
  C      -5.025997      1.337343      9.393255
  C      -6.343018      1.275175      9.109919
  C      -6.974085      0.416148      8.100984
  N      -6.374826     -0.735307      7.768867
  C      -7.007512     -1.528721      6.871159
  N      -8.202491     -1.355563      6.325495
  C      -8.836450     -0.186925      6.635371
  C     -10.108456      0.066881      6.067443
  C     -10.749915      1.260500      6.328449
  C     -10.140178      2.254869      7.146298
  C      -8.902716      2.027189      7.722323
  C      -8.234771      0.786559      7.503600
  H      -4.007048      6.039454      6.553682
  H      -4.478560      5.835776      8.266898
  H      -4.918128      3.417907      7.928966
  H      -6.437632      4.423988      5.693351
  H      -3.290540      0.052460      5.680801
  H      -6.777685     -1.266949      3.025258
  H      -8.867195     -0.201749      2.161110
  H      -9.418663      2.138944      2.823811
  H      -7.902032      3.422834      4.317067
  H      -1.187161      2.441142      3.438126
  H      -2.804708      2.010286      3.790145
  H      -0.737357     -0.216999      4.017365
  H      -1.921340     -1.447246      2.383660
  H      -4.628254      2.945457      0.792335
  H      -7.064830     -0.602547     -0.840092
  H      -7.005357     -3.080580     -0.493907
  H      -5.257213     -4.076315      0.967962
  H      -3.555278     -2.649075      2.058005
  H      -3.497259     -0.165556      9.292562
  H      -4.293689      0.160679      7.768487
  H      -4.711912      2.039801     10.176917
  H      -7.018496      1.932865      9.665601
  H      -6.462029     -2.419757      6.584580
  H     -10.545003     -0.701960      5.415190
  H     -11.728720      1.450837      5.886817
  H     -10.648414      3.201743      7.324744
  H      -8.427129      2.801087      8.338281
  N      -2.650508      4.202129      5.071660
  N      -2.609268      4.926961      4.223938
91
Coordinates from ORCA-job orca E -6254.295468278309
  N      -2.757795      4.696761      7.642659
  Mo     -2.774140      2.832173      6.786334
  N      -2.848307      1.597865      8.342399
  C      -1.766744      1.568572      9.320977
  C      -0.922030      2.825906      9.195256
  N      -0.750667      3.156248      7.756794
  C      -0.371748      4.581160      7.569563
  C      -1.570873      5.469331      7.904509
  C       0.218660      2.233796      7.109789
  C      -0.090943      2.130866      5.630966
  N      -1.505073      1.865057      5.433261
  H      -1.530602      6.390514      7.287316
  H      -1.535814      5.807932      8.963620
  H      -0.101129      4.697728      6.513411
  H       0.515325      4.827697      8.184468
  H       0.527608      1.322322      5.196062
  H       0.213674      3.056217      5.096381
  H       0.097113      1.245655      7.571453
  H       1.248294      2.578469      7.301698
  H      -2.159468      1.518564     10.351441
  H      -1.155032      0.653259      9.186264
  H      -1.447603      3.668407      9.661309
  H       0.062730      2.711535      9.684234
  C      -4.048142      5.288721      7.388962
  C      -4.688696      3.969321      7.003622
  C      -5.657032      3.717260      5.948042
  C      -5.531139      2.474675      5.378317
  N      -4.346062      1.791248      5.729479
  C      -4.210210      0.492983      5.335054
  N      -5.027390     -0.205015      4.582452
  C      -6.165901      0.452487      4.122754
  C      -7.051262     -0.242723      3.280652
  C      -8.204701      0.357401      2.816725
  C      -8.507901      1.675280      3.190222
  C      -7.653454      2.378658      4.027853
  C      -6.468836      1.788398      4.498545
  C      -1.785002      1.724942      4.000432
  C      -1.514783      0.334777      3.521942
  C      -2.202323     -0.366955      2.592211
  C      -3.334307      0.108312      1.814879
  N      -3.490614      1.429547      1.650397
  C      -4.541177      1.853203      0.906520
  N      -5.427255      1.119285      0.257015
  C      -5.305959     -0.236284      0.415804
  C      -6.256761     -1.081706     -0.209472
  C      -6.203487     -2.447760     -0.015181
  C      -5.202101     -3.016157      0.808773
  C      -4.253280     -2.214517      1.415184
  C      -4.270350     -0.811171      1.221715
  C      -3.901053      0.625284      8.652080
  C      -5.017948      1.300442      9.387828
  C      -6.339068      1.249065      9.111865
  C      -6.985396      0.418393      8.097839
  N      -6.398845     -0.730198      7.746220
  C      -7.041916     -1.507808      6.846137
  N      -8.233102     -1.318824      6.314421
  C      -8.850349     -0.145790      6.639002
  C     -10.115487      0.139418      6.076636
  C     -10.741436      1.338663      6.352846
  C     -10.122992      2.296645      7.187114
  C      -8.894262      2.039673      7.756213
  C      -8.240432      0.805159      7.516218
  H      -4.026927      6.021664      6.547190
  H      -4.499802      5.812742      8.266757
  H      -4.926461      3.389296      7.917951
  H      -6.462515      4.405184      5.698593
  H      -3.291785     -0.005064      5.682147
  H      -6.800912     -1.269258      3.010654
  H      -8.877949     -0.196390      2.160690
  H      -9.420250      2.145630      2.829426
  H      -7.900688      3.395710      4.326506
  H      -1.179884      2.445064      3.411215
  H      -2.822653      1.990713      3.769091
  H      -0.702442     -0.190797      4.033908
  H      -1.916545     -1.401209      2.428593
  H      -4.647795      2.941824      0.825503
  H      -7.033244     -0.613810     -0.819575
  H      -6.943954     -3.096023     -0.487041
  H      -5.184958     -4.095214      0.971603
  H      -3.505376     -2.663153      2.070721
  H      -3.481388     -0.194671      9.267736
  H      -4.284648      0.142943      7.747058
  H      -4.699225      1.987324     10.179978
  H      -7.003159      1.901665      9.683847
  H      -6.509118     -2.414958      6.549982
  H     -10.557899     -0.601931      5.412938
  H     -11.713606      1.559004      5.913243
  H     -10.620316      3.250251      7.377786
  H      -8.416809      2.795846      8.381136
  N      -2.673876      4.198976      5.066951
  N      -2.650686      4.922853      4.215486
91
Coordinates from ORCA-job orca E -6254.293212532043
  N      -2.751429      4.675658      7.638084
  Mo     -2.765128      2.839319      6.776983
  N      -2.834212      1.588837      8.324952
  C      -1.761069      1.555554      9.308498
  C      -0.920530      2.815228      9.182426
  N      -0.743191      3.159213      7.743789
  C      -0.366300      4.582092      7.562090
  C      -1.572501      5.452767      7.906502
  C       0.229680      2.246582      7.085147
  C      -0.071935      2.160197      5.611586
  N      -1.493053      1.897007      5.416528
  H      -1.539001      6.377434      7.298404
  H      -1.548199      5.776116      8.967976
  H      -0.095059      4.710762      6.503257
  H       0.516302      4.822660      8.171354
  H       0.548416      1.349959      5.171850
  H       0.245512      3.092593      5.077615
  H       0.099798      1.258995      7.543264
  H       1.263178      2.582046      7.273715
  H      -2.168201      1.502490     10.345067
  H      -1.142688      0.635752      9.181332
  H      -1.453439      3.650539      9.649490
  H       0.061460      2.708430      9.668392
  C      -4.046968      5.246315      7.409895
  C      -4.684879      3.936028      7.004959
  C      -5.674423      3.692920      5.960898
  C      -5.552765      2.463168      5.379690
  N      -4.361293      1.793659      5.704683
  C      -4.245240      0.511456      5.298876
  N      -5.079111     -0.192050      4.573522
  C      -6.209149      0.443426      4.137766
  C      -7.104956     -0.253365      3.302081
  C      -8.257908      0.386281      2.826991
  C      -8.549589      1.714073      3.204985
  C      -7.684580      2.388447      4.053501
  C      -6.498763      1.785682      4.514987
  C      -1.768296      1.739183      3.988343
  C      -1.474508      0.353750      3.510591
  C      -2.159803     -0.348596      2.587071
  C      -3.324385      0.119008      1.820487
  N      -3.507346      1.426938      1.660531
  C      -4.563526      1.824324      0.924779
  N      -5.431694      1.075750      0.281837
  C      -5.281200     -0.267093      0.439907
  C      -6.201884     -1.134345     -0.184950
  C      -6.114037     -2.495129      0.000602
  C      -5.102128     -3.042067      0.816950
  C      -4.181002     -2.220268      1.422164
  C      -4.237354     -0.817290      1.236997
  C      -3.893923      0.618985      8.625589
  C      -5.013793      1.287650      9.363067
  C      -6.339543      1.243425      9.099834
  C      -7.007502      0.413579      8.092341
  N      -6.443812     -0.743181      7.727086
  C      -7.108160     -1.525500      6.831815
  N      -8.300750     -1.310422      6.307058
  C      -8.894027     -0.116475      6.641482
  C     -10.161774      0.203703      6.082096
  C     -10.769630      1.401578      6.372355
  C     -10.132329      2.336941      7.217315
  C      -8.901836      2.051664      7.782531
  C      -8.264285      0.816475      7.525197
  H      -4.044829      5.992605      6.600812
  H      -4.488553      5.729725      8.293762
  H      -4.903102      3.350677      7.914166
  H      -6.494383      4.387547      5.726540
  H      -3.330362      0.036045      5.607788
  H      -6.861003     -1.277822      3.027594
  H      -8.939197     -0.142243      2.163171
  H      -9.462582      2.212367      2.841684
  H      -7.925396      3.403937      4.358319
  H      -1.163709      2.469464      3.380821
  H      -2.812715      1.986118      3.765091
  H      -0.640721     -0.166864      4.020684
  H      -1.848476     -1.382874      2.423870
  H      -4.690113      2.905420      0.841255
  H      -6.983405     -0.686157     -0.791984
  H      -6.836805     -3.158409     -0.475200
  H      -5.055570     -4.122646      0.972128
  H      -3.421136     -2.656392      2.068141
  H      -3.479394     -0.201800      9.238784
  H      -4.276111      0.144972      7.718854
  H      -4.687645      1.972275     10.156826
  H      -6.981903      1.907818      9.682461
  H      -6.586540     -2.447170      6.525368
  H     -10.619463     -0.525234      5.411564
  H     -11.744913      1.643866      5.935063
  H     -10.617725      3.292754      7.421370
  H      -8.416470      2.789752      8.418380
  N      -2.659208      4.209245      5.074116
  N      -2.628676      4.928746      4.221919
91
Coordinates from ORCA-job orca E -6254.295442380735
  N      -2.757451      4.691727      7.634646
  Mo     -2.765928      2.841495      6.776559
  N      -2.841060      1.593564      8.324703
  C      -1.766743      1.560104      9.308610
  C      -0.927787      2.819660      9.190752
  N      -0.750080      3.159581      7.754431
  C      -0.371557      4.583608      7.572816
  C      -1.576538      5.464114      7.906128
  C       0.221051      2.239262      7.105250
  C      -0.077112      2.155723      5.629041
  N      -1.497221      1.897600      5.420426
  H      -1.537174      6.387535      7.294252
  H      -1.554655      5.791434      8.965376
  H      -0.096097      4.708401      6.517914
  H       0.509964      4.825148      8.190150
  H       0.541218      1.348978      5.191226
  H       0.238779      3.085134      5.102337
  H       0.084198      1.247675      7.560578
  H       1.257006      2.569881      7.303156
  H      -2.168525      1.507371     10.340026
  H      -1.148686      0.644393      9.181065
  H      -1.462728      3.654388      9.656309
  H       0.055206      2.710046      9.682130
  C      -4.052322      5.265626      7.400372
  C      -4.683416      3.950601      6.998757
  C      -5.668347      3.702656      5.957183
  C      -5.540282      2.470195      5.373826
  N      -4.345821      1.795164      5.706607
  C      -4.215363      0.498949      5.307757
  N      -5.042527     -0.202645      4.567946
  C      -6.183030      0.447226      4.121996
  C      -7.078047     -0.259718      3.286833
  C      -8.235556      0.345313      2.827806
  C      -8.534681      1.663919      3.208609
  C      -7.672200      2.373061      4.043648
  C      -6.482777      1.784645      4.501805
  C      -1.770706      1.735965      3.991178
  C      -1.487425      0.335160      3.510132
  C      -2.169622     -0.370964      2.581571
  C      -3.314139      0.101387      1.797819
  N      -3.484224      1.420320      1.634463
  C      -4.538793      1.838011      0.886936
  N      -5.416744      1.098203      0.239591
  C      -5.282073     -0.253138      0.400654
  C      -6.223554     -1.104828     -0.225232
  C      -6.159245     -2.468273     -0.033571
  C      -5.155914     -3.030525      0.791737
  C      -4.215771     -2.223938      1.400076
  C      -4.243239     -0.821971      1.207831
  C      -3.904340      0.631512      8.633604
  C      -5.016145      1.302213      9.378772
  C      -6.339167      1.251815      9.116773
  C      -6.999077      0.419408      8.110458
  N      -6.427386     -0.726901      7.751001
  C      -7.085442     -1.505047      6.858150
  N      -8.275700     -1.298057      6.327505
  C      -8.878370     -0.119604      6.656953
  C     -10.143672      0.187159      6.095667
  C     -10.759015      1.386789      6.380597
  C     -10.130477      2.330276      7.221199
  C      -8.900724      2.049850      7.791496
  C      -8.256899      0.814279      7.540455
  H      -4.047743      6.009222      6.577152
  H      -4.496967      5.764345      8.285447
  H      -4.905359      3.362219      7.910232
  H      -6.485856      4.388766      5.725550
  H      -3.296588      0.002924      5.645175
  H      -6.827514     -1.294473      3.015649
  H      -8.915980     -0.212692      2.174729
  H      -9.449081      2.130728      2.858468
  H      -7.918590      3.395669      4.345594
  H      -1.168165      2.459403      3.392870
  H      -2.804306      1.992940      3.766518
  H      -0.677510     -0.179702      4.033240
  H      -1.870638     -1.412009      2.424864
  H      -4.655943      2.926079      0.801482
  H      -7.002022     -0.642426     -0.836393
  H      -6.894888     -3.120365     -0.507857
  H      -5.131009     -4.107961      0.953762
  H      -3.467321     -2.669803      2.054371
  H      -3.492577     -0.191917      9.246590
  H      -4.295003      0.158526      7.730609
  H      -4.687224      1.984061     10.169856
  H      -6.988049      1.908738      9.694804
  H      -6.561254     -2.421194      6.557636
  H     -10.592558     -0.544316      5.426430
  H     -11.731442      1.624286      5.940107
  H     -10.620636      3.285674      7.418776
  H      -8.416828      2.791799      8.423364
  N      -2.657880      4.214264      5.078227
  N      -2.626762      4.940877      4.233464
91
Coordinates from ORCA-job orca E -6254.291340039362
  N      -2.738745      4.709490      7.630362
  Mo     -2.768412      2.836480      6.785876
  N      -2.847384      1.604888      8.345950
  C      -1.768807      1.574872      9.324603
  C      -0.917336      2.825745      9.195498
  N      -0.741349      3.147495      7.757322
  C      -0.351419      4.569993      7.560385
  C      -1.544441      5.475892      7.887176
  C       0.222252      2.211718      7.113887
  C      -0.086079      2.109622      5.634362
  N      -1.503964      1.860553      5.433632
  H      -1.491381      6.393698      7.260903
  H      -1.509714      5.825968      8.943108
  H      -0.076214      4.675113      6.504536
  H       0.537605      4.816049      8.173702
  H       0.528665      1.298762      5.201454
  H       0.225948      3.032116      5.103896
  H       0.091968      1.225741      7.577421
  H       1.255606      2.549009      7.305390
  H      -2.164832      1.526140     10.348686
  H      -1.161927      0.659322      9.192086
  H      -1.437728      3.674877      9.659116
  H       0.066374      2.708350      9.683034
  C      -4.028592      5.310470      7.374728
  C      -4.678593      3.984002      7.000184
  C      -5.654534      3.723354      5.953025
  C      -5.534480      2.473447      5.390683
  N      -4.347461      1.801961      5.727660
  C      -4.205646      0.493969      5.344084
  N      -5.022995     -0.209376      4.599055
  C      -6.167582      0.447477      4.141787
  C      -7.049414     -0.227616      3.299054
  C      -8.204159      0.379729      2.831243
  C      -8.511952      1.688127      3.204978
  C      -7.663263      2.373342      4.047026
  C      -6.474354      1.779069      4.519866
  C      -1.794184      1.717404      4.003400
  C      -1.543240      0.337642      3.551843
  C      -2.247254     -0.348311      2.627476
  C      -3.354705      0.135520      1.837483
  N      -3.486605      1.458673      1.664346
  C      -4.517953      1.883291      0.906043
  N      -5.406765      1.148855      0.244647
  C      -5.307452     -0.211410      0.407461
  C      -6.256624     -1.061093     -0.232689
  C      -6.221180     -2.431098     -0.033200
  C      -5.241363     -2.998313      0.809299
  C      -4.296509     -2.191959      1.430101
  C      -4.296995     -0.784024      1.233429
  C      -3.905541      0.638621      8.661704
  C      -5.023256      1.332839      9.384147
  C      -6.343018      1.278858      9.102312
  C      -6.982659      0.422835      8.098872
  N      -6.383491     -0.742145      7.773850
  C      -7.017056     -1.547767      6.883369
  N      -8.209878     -1.380729      6.341111
  C      -8.837319     -0.194904      6.635640
  C     -10.101584      0.054748      6.060915
  C     -10.740458      1.259559      6.312452
  C     -10.134233      2.254386      7.135108
  C      -8.906774      2.032700      7.713417
  C      -8.239341      0.793581      7.498529
  H      -4.000690      6.039738      6.516103
  H      -4.481915      5.855759      8.256704
  H      -4.918693      3.407537      7.923908
  H      -6.453505      4.410915      5.708436
  H      -3.277540      0.005058      5.683809
  H      -6.798333     -1.240315      3.027390
  H      -8.873399     -0.150503      2.169249
  H      -9.427934      2.177176      2.834241
  H      -7.917557      3.392804      4.343948
  H      -1.182279      2.418481      3.406409
  H      -2.851140      1.990902      3.768137
  H      -0.741911     -0.195398      4.068924
  H      -1.978312     -1.386188      2.471559
  H      -4.603424      2.968492      0.821997
  H      -7.015161     -0.594612     -0.857431
  H      -6.957817     -3.080503     -0.516428
  H      -5.236587     -4.080439      0.975565
  H      -3.560793     -2.640577      2.097545
  H      -3.491139     -0.182434      9.287377
  H      -4.285837      0.145883      7.754672
  H      -4.709747      2.035961     10.169645
  H      -7.009442      1.946581      9.661522
  H      -6.477927     -2.444988      6.605560
  H     -10.536155     -0.722976      5.411744
  H     -11.711437      1.444828      5.868911
  H     -10.640893      3.196715      7.314618
  H      -8.442581      2.809979      8.335767
  N      -2.658536      4.200706      5.066677
  N      -2.629381      4.928384      4.214177
91
Coordinates from ORCA-job orca E -6254.295581772181
  N      -2.764787      4.690500      7.649987
  Mo     -2.777101      2.831619      6.787974
  N      -2.847077      1.593046      8.338865
  C      -1.765576      1.565957      9.318168
  C      -0.923412      2.823946      9.195637
  N      -0.752678      3.158057      7.758787
  C      -0.378161      4.582802      7.574079
  C      -1.579430      5.465097      7.910691
  C       0.218660      2.241252      7.109896
  C      -0.091533      2.139951      5.630101
  N      -1.504480      1.872043      5.432278
  H      -1.543605      6.385028      7.294549
  H      -1.543161      5.802792      8.969127
  H      -0.108544      4.701586      6.518301
  H       0.508833      4.830827      8.188878
  H       0.527582      1.333101      5.192727
  H       0.211809      3.066476      5.096322
  H       0.101440      1.253596      7.569801
  H       1.245948      2.589075      7.302740
  H      -2.158708      1.513363     10.346998
  H      -1.151926      0.654350      9.183132
  H      -1.450654      3.662488      9.663375
  H       0.061445      2.710879      9.683648
  C      -4.056170      5.277511      7.398146
  C      -4.695141      3.959977      7.009805
  C      -5.661992      3.707240      5.953477
  C      -5.534056      2.466208      5.382844
  N      -4.347440      1.791790      5.726362
  C      -4.215058      0.500343      5.328114
  N      -5.033866     -0.203760      4.584103
  C      -6.169938      0.442141      4.130681
  C      -7.055618     -0.256772      3.287455
  C      -8.208726      0.351353      2.819070
  C      -8.512936      1.674750      3.193136
  C      -7.658001      2.370700      4.036904
  C      -6.472357      1.779973      4.506285
  C      -1.783535      1.733044      3.998048
  C      -1.512862      0.340278      3.508957
  C      -2.195759     -0.363128      2.575377
  C      -3.331886      0.109869      1.800673
  N      -3.493427      1.425218      1.635337
  C      -4.547349      1.841262      0.895715
  N      -5.432615      1.105281      0.252514
  C      -5.303560     -0.246662      0.412421
  C      -6.251691     -1.096541     -0.205454
  C      -6.190327     -2.459290     -0.010004
  C      -5.182786     -3.020810      0.807717
  C      -4.236919     -2.214443      1.407350
  C      -4.263240     -0.813447      1.212978
  C      -3.897063      0.617376      8.645530
  C      -5.012761      1.287801      9.386493
  C      -6.335790      1.240613      9.115655
  C      -6.987581      0.418858      8.101717
  N      -6.411403     -0.736435      7.755127
  C      -7.060905     -1.510956      6.857883
  N      -8.248557     -1.311850      6.323182
  C      -8.855185     -0.128916      6.642137
  C     -10.116690      0.168245      6.077109
  C     -10.732115      1.372120      6.349845
  C     -10.106773      2.322462      7.183996
  C      -8.881330      2.054787      7.755358
  C      -8.238183      0.817626      7.517806
  H      -4.036705      6.011427      6.561933
  H      -4.508280      5.795144      8.275406
  H      -4.930427      3.379563      7.923194
  H      -6.470359      4.394403      5.704148
  H      -3.300912      0.019181      5.661552
  H      -6.805233     -1.278030      3.014171
  H      -8.881942     -0.195767      2.157630
  H      -9.426501      2.151188      2.829418
  H      -7.905570      3.380128      4.340238
  H      -1.178688      2.455635      3.414318
  H      -2.815325      1.998120      3.766387
  H      -0.701318     -0.188820      4.019311
  H      -1.903727     -1.400700      2.408898
  H      -4.658784      2.927329      0.812475
  H      -7.033470     -0.634142     -0.811557
  H      -6.929456     -3.111689     -0.476730
  H      -5.158242     -4.099152      0.970800
  H      -3.483464     -2.658879      2.058122
  H      -3.475722     -0.203127      9.255004
  H      -4.280967      0.139752      7.740270
  H      -4.691319      1.969230     10.178922
  H      -6.996409      1.893048      9.691211
  H      -6.535271     -2.421241      6.563735
  H     -10.564943     -0.569950      5.414578
  H     -11.702157      1.602584      5.907515
  H     -10.596517      3.282125      7.371713
  H      -8.399508      2.803583      8.380817
  N      -2.676334      4.199131      5.069657
  N      -2.645590      4.922855      4.218508
91
Coordinates from ORCA-job orca E -6254.293536539165
  N      -2.732659      4.694115      7.620219
  Mo     -2.753988      2.843830      6.772626
  N      -2.840822      1.604043      8.333345
  C      -1.774775      1.568958      9.323556
  C      -0.924323      2.822869      9.188143
  N      -0.737820      3.152110      7.745681
  C      -0.347964      4.572340      7.553416
  C      -1.549612      5.462619      7.883325
  C       0.229094      2.219367      7.098055
  C      -0.062123      2.132538      5.624462
  N      -1.486628      1.886883      5.421654
  H      -1.504573      6.382725      7.262655
  H      -1.529529      5.797672      8.940819
  H      -0.066686      4.691311      6.496005
  H       0.531096      4.808975      8.167087
  H       0.552761      1.314753      5.193890
  H       0.267508      3.058463      5.089386
  H       0.079150      1.230411      7.560000
  H       1.270261      2.538801      7.290167
  H      -2.188884      1.529589     10.360220
  H      -1.161250      0.639938      9.208480
  H      -1.454757      3.669323      9.645805
  H       0.055084      2.710538      9.680030
  C      -4.022498      5.273514      7.377815
  C      -4.659991      3.960836      6.982281
  C      -5.653522      3.706359      5.943948
  C      -5.531871      2.474946      5.368282
  N      -4.338271      1.797639      5.703993
  C      -4.213713      0.497079      5.317649
  N      -5.046442     -0.206818      4.586215
  C      -6.186867      0.444628      4.137438
  C      -7.086797     -0.258496      3.310138
  C      -8.247059      0.345300      2.849617
  C      -8.539314      1.653248      3.223466
  C      -7.671608      2.370634      4.047542
  C      -6.480271      1.782226      4.508278
  C      -1.757752      1.732809      3.996961
  C      -1.470076      0.337988      3.519067
  C      -2.165394     -0.359485      2.598712
  C      -3.328848      0.124468      1.836819
  N      -3.501938      1.447529      1.692400
  C      -4.562354      1.874150      0.960981
  N      -5.440656      1.139540      0.308040
  C      -5.306272     -0.213357      0.450915
  C      -6.245988     -1.059350     -0.184003
  C      -6.179505     -2.426017     -0.011487
  C      -5.171552     -2.999407      0.800652
  C      -4.230417     -2.199426      1.414553
  C      -4.263263     -0.792355      1.243421
  C      -3.909391      0.646771      8.644447
  C      -5.032194      1.334491      9.365842
  C      -6.352723      1.278940      9.089520
  C      -7.005013      0.418517      8.090228
  N      -6.423204     -0.729535      7.745112
  C      -7.074277     -1.531706      6.857467
  N      -8.270202     -1.344682      6.322901
  C      -8.882462     -0.165712      6.637000
  C     -10.156068      0.122022      6.067388
  C     -10.783740      1.313846      6.336972
  C     -10.159563      2.282894      7.163565
  C      -8.922193      2.027338      7.738680
  C      -8.266497      0.789529      7.508801
  H      -4.011075      6.009609      6.559356
  H      -4.464045      5.771371      8.253245
  H      -4.889516      3.389118      7.900100
  H      -6.474734      4.390467      5.713146
  H      -3.289850     -0.008630      5.658230
  H      -6.839077     -1.299233      3.048652
  H      -8.932357     -0.212534      2.205045
  H      -9.452817      2.121146      2.872646
  H      -7.917864      3.424865      4.331261
  H      -1.150370      2.463091      3.394909
  H      -2.796788      1.985093      3.776369
  H      -0.641788     -0.180285      4.026902
  H      -1.865415     -1.395288      2.431232
  H      -4.677628      2.961320      0.889129
  H      -7.023904     -0.590029     -0.786014
  H      -6.914633     -3.072036     -0.492698
  H      -5.143831     -4.080042      0.946795
  H      -3.476385     -2.653945      2.056262
  H      -3.501839     -0.171168      9.277833
  H      -4.289266      0.159589      7.739905
  H      -4.712763      2.035859     10.152155
  H      -7.006593      1.948085      9.654313
  H      -6.539842     -2.462962      6.575514
  H     -10.601896     -0.624980      5.407462
  H     -11.763125      1.529801      5.893423
  H     -10.658793      3.233365      7.349068
  H      -8.442462      2.791925      8.358838
  N      -2.635484      4.215849      5.069514
  N      -2.604506      4.942092      4.224318
91
Coordinates from ORCA-job orca E -6254.295650232386
  N      -2.756118      4.691828      7.635730
  Mo     -2.767592      2.837232      6.781534
  N      -2.839777      1.592792      8.332334
  C      -1.763625      1.563546      9.313699
  C      -0.923649      2.822976      9.191192
  N      -0.748415      3.157429      7.754230
  C      -0.367856      4.580984      7.566777
  C      -1.570758      5.465383      7.898236
  C       0.219239      2.232129      7.105765
  C      -0.081933      2.146641      5.630399
  N      -1.503933      1.893014      5.421431
  H      -1.529785      6.384941      7.280184
  H      -1.543977      5.802030      8.955073
  H      -0.093574      4.700105      6.511347
  H       0.515909      4.825954      8.181789
  H       0.534143      1.339411      5.192207
  H       0.235919      3.075804      5.105954
  H       0.079354      1.241757      7.562554
  H       1.257417      2.560878      7.302470
  H      -2.163117      1.513476     10.344145
  H      -1.147418      0.648011      9.187108
  H      -1.456554      3.660186      9.654744
  H       0.060487      2.715888      9.681146
  C      -4.050950      5.271185      7.397229
  C      -4.686009      3.951326      7.003217
  C      -5.673368      3.699190      5.964970
  C      -5.546110      2.459581      5.388333
  N      -4.351425      1.788915      5.717614
  C      -4.218624      0.493178      5.319862
  N      -5.041586     -0.208327      4.579690
  C      -6.181449      0.436782      4.134858
  C      -7.070205     -0.266973      3.294482
  C      -8.229122      0.344711      2.828221
  C      -8.535094      1.666128      3.210319
  C      -7.677983      2.363128      4.054830
  C      -6.486607      1.772902      4.516824
  C      -1.783159      1.729946      3.990634
  C      -1.505666      0.335515      3.519997
  C      -2.191924     -0.363557      2.591752
  C      -3.324731      0.113874      1.800446
  N      -3.484848      1.432999      1.634832
  C      -4.530152      1.851318      0.880440
  N      -5.409997      1.113454      0.228301
  C      -5.284583     -0.238739      0.390254
  C      -6.223896     -1.091228     -0.243443
  C      -6.164376     -2.457418     -0.053376
  C      -5.168056     -3.020978      0.777620
  C      -4.230858     -2.213334      1.393739
  C      -4.253599     -0.808778      1.203440
  C      -3.906734      0.636672      8.650036
  C      -5.017255      1.321099      9.382021
  C      -6.338807      1.268785      9.116041
  C      -6.995554      0.418865      8.118481
  N      -6.423200     -0.737354      7.774211
  C      -7.076956     -1.525697      6.884657
  N      -8.263350     -1.320566      6.345133
  C      -8.865332     -0.135282      6.660029
  C     -10.124955      0.167567      6.087994
  C     -10.739697      1.374836      6.358270
  C     -10.116383      2.326267      7.196342
  C      -8.891925      2.050540      7.775718
  C      -8.248554      0.809090      7.538850
  H      -4.042035      6.013045      6.564494
  H      -4.498524      5.780885      8.283060
  H      -4.906483      3.359984      7.916943
  H      -6.490822      4.387575      5.730495
  H      -3.299549      0.006867      5.652584
  H      -6.814078     -1.299685      3.021144
  H      -8.904996     -0.206587      2.167429
  H      -9.451249      2.139477      2.853919
  H      -7.928152      3.372648      4.361983
  H      -1.179971      2.443843      3.383933
  H      -2.825275      1.992137      3.766468
  H      -0.697805     -0.184403      4.045461
  H      -1.900743     -1.405464      2.438473
  H      -4.638601      2.938834      0.794475
  H      -6.995717     -0.628259     -0.859702
  H      -6.898280     -3.110054     -0.534022
  H      -5.147118     -4.100689      0.938904
  H      -3.487195     -2.660348      2.052431
  H      -3.501094     -0.181501      9.272746
  H      -4.295845      0.153521      7.750374
  H      -4.689431      2.017323     10.164771
  H      -6.987922      1.937868      9.682454
  H      -6.554560     -2.441469      6.595324
  H     -10.570515     -0.571915      5.422480
  H     -11.707842      1.607120      5.910970
  H     -10.606419      3.281820      7.385838
  H      -8.412457      2.797950      8.406411
  N      -2.660168      4.207549      5.084689
  N      -2.628309      4.934489      4.240109
91
Coordinates from ORCA-job orca E -6254.293861501875
  N      -2.763550      4.691651      7.640409
  Mo     -2.772438      2.833087      6.779135
  N      -2.846432      1.593320      8.330521
  C      -1.769823      1.567137      9.318904
  C      -0.929854      2.824033      9.198652
  N      -0.753550      3.155260      7.759943
  C      -0.378998      4.579288      7.574673
  C      -1.581149      5.465249      7.905378
  C       0.220317      2.237347      7.115520
  C      -0.081121      2.135190      5.629569
  N      -1.490675      1.870727      5.428142
  H      -1.544749      6.383730      7.286235
  H      -1.548801      5.804542      8.965053
  H      -0.104068      4.696685      6.519141
  H       0.505137      4.825950      8.194165
  H       0.540696      1.324827      5.196126
  H       0.223532      3.059092      5.091061
  H       0.102943      1.251035      7.574399
  H       1.243083      2.583328      7.314173
  H      -2.169505      1.515497     10.346354
  H      -1.152609      0.656473      9.188858
  H      -1.460773      3.662844      9.663464
  H       0.052052      2.710659      9.691549
  C      -4.055051      5.271273      7.385360
  C      -4.688920      3.958462      6.992800
  C      -5.657723      3.701468      5.939634
  C      -5.527630      2.462935      5.369681
  N      -4.335200      1.790467      5.712338
  C      -4.197710      0.498971      5.318880
  N      -5.021034     -0.209497      4.581667
  C      -6.166762      0.431022      4.132957
  C      -7.059289     -0.266025      3.307065
  C      -8.211418      0.327938      2.855262
  C      -8.512992      1.653509      3.220307
  C      -7.654030      2.355458      4.043859
  C      -6.468723      1.768277      4.503547
  C      -1.763206      1.739822      4.000335
  C      -1.502835      0.346285      3.506660
  C      -2.192721     -0.356020      2.573131
  C      -3.330418      0.116494      1.807653
  N      -3.496290      1.432308      1.651338
  C      -4.553624      1.851936      0.921251
  N      -5.437128      1.117518      0.276628
  C      -5.303752     -0.235195      0.427060
  C      -6.255778     -1.080519     -0.187104
  C      -6.196575     -2.440540      0.006457
  C      -5.187865     -3.004163      0.817590
  C      -4.237751     -2.202668      1.412482
  C      -4.263073     -0.803789      1.221342
  C      -3.894077      0.614019      8.627850
  C      -5.012264      1.281092      9.372578
  C      -6.338366      1.237320      9.104821
  C      -6.995266      0.422622      8.092391
  N      -6.419293     -0.738385      7.752914
  C      -7.071684     -1.514379      6.862350
  N      -8.261252     -1.316246      6.325875
  C      -8.867948     -0.125648      6.634667
  C     -10.130655      0.162828      6.070583
  C     -10.744877      1.362948      6.339859
  C     -10.115553      2.321287      7.166324
  C      -8.889684      2.064149      7.735171
  C      -8.247910      0.827905      7.503745
  H      -4.037331      6.000287      6.555942
  H      -4.505456      5.782421      8.256974
  H      -4.932404      3.393035      7.907005
  H      -6.466118      4.378786      5.699003
  H      -3.276068      0.013172      5.654560
  H      -6.818261     -1.264021      3.034138
  H      -8.888273     -0.214114      2.207496
  H      -9.430054      2.135134      2.859157
  H      -7.897959      3.382468      4.334486
  H      -1.149444      2.472413      3.432526
  H      -2.794339      2.000061      3.762778
  H      -0.695291     -0.181869      4.011993
  H      -1.901801     -1.393524      2.399513
  H      -4.668982      2.937613      0.846670
  H      -7.040395     -0.615640     -0.786356
  H      -6.938239     -3.088642     -0.456240
  H      -5.164426     -4.080515      0.978470
  H      -3.481545     -2.649169      2.057417
  H      -3.468088     -0.208431      9.233924
  H      -4.275581      0.139265      7.719869
  H      -4.690616      1.955796     10.165900
  H      -6.997931      1.888569      9.682489
  H      -6.547129     -2.418807      6.571075
  H     -10.582018     -0.585202      5.415124
  H     -11.715273      1.585781      5.899045
  H     -10.604213      3.280291      7.349903
  H      -8.406888      2.815604      8.356950
  N      -2.663875      4.203137      5.051861
  N      -2.625183      4.928487      4.197148
91
Coordinates from ORCA-job orca E -6254.295391154498
  N      -2.745046      4.691947      7.653790
  Mo     -2.768874      2.837836      6.788354
  N      -2.848594      1.595162      8.335700
  C      -1.772105      1.557659      9.315885
  C      -0.921995      2.811605      9.194327
  N      -0.744339      3.150055      7.758673
  C      -0.360918      4.573220      7.576897
  C      -1.558426      5.460691      7.913947
  C       0.223684      2.231458      7.107057
  C      -0.082846      2.138241      5.629671
  N      -1.498458      1.876450      5.434383
  H      -1.517367      6.382416      7.297959
  H      -1.524605      5.795245      8.971906
  H      -0.084776      4.696262      6.522450
  H       0.522726      4.812426      8.192149
  H       0.534271      1.329473      5.191470
  H       0.227262      3.066637      5.096682
  H       0.098610      1.242415      7.564763
  H       1.253394      2.572720      7.297742
  H      -2.171874      1.502670     10.344445
  H      -1.162135      0.641670      9.179319
  H      -1.445468      3.653009      9.663879
  H       0.060445      2.690233      9.681090
  C      -4.031561      5.288841      7.396039
  C      -4.675578      3.971865      7.007570
  C      -5.648197      3.719690      5.952706
  C      -5.526580      2.486622      5.379183
  N      -4.343322      1.809955      5.723044
  C      -4.217126      0.512343      5.328470
  N      -5.042331     -0.196760      4.590111
  C      -6.176939      0.456046      4.136403
  C      -7.069004     -0.239431      3.298218
  C      -8.223718      0.378372      2.827045
  C      -8.519909      1.685955      3.202631
  C      -7.658575      2.386312      4.039185
  C      -6.471457      1.798349      4.507275
  C      -1.783260      1.748032      3.992624
  C      -1.498560      0.363688      3.497499
  C      -2.184078     -0.342179      2.572887
  C      -3.340162      0.123118      1.814914
  N      -3.513287      1.437412      1.650151
  C      -4.577934      1.844204      0.919957
  N      -5.461365      1.099180      0.282490
  C      -5.321339     -0.251713      0.441936
  C      -6.266611     -1.111172     -0.171143
  C      -6.194137     -2.474210      0.024431
  C      -5.177935     -3.026538      0.836620
  C      -4.233899     -2.210578      1.430494
  C      -4.271857     -0.808624      1.236360
  C      -3.901739      0.619918      8.634713
  C      -5.022986      1.287823      9.376689
  C      -6.345329      1.239785      9.101057
  C      -6.992314      0.419548      8.082319
  N      -6.413164     -0.733590      7.742331
  C      -7.059908     -1.520881      6.848126
  N      -8.249395     -1.336119      6.314693
  C      -8.859182     -0.151531      6.624705
  C     -10.124159      0.131787      6.058769
  C     -10.745229      1.336817      6.320981
  C     -10.120888      2.302499      7.144485
  C      -8.891872      2.045574      7.717739
  C      -8.244174      0.808896      7.491412
  H      -4.002237      6.021962      6.555611
  H      -4.485476      5.813215      8.271522
  H      -4.916555      3.399909      7.928364
  H      -6.458935      4.403695      5.710460
  H      -3.302444      0.028043      5.659714
  H      -6.823261     -1.277815      3.034558
  H      -8.902875     -0.170494      2.172541
  H      -9.432725      2.156604      2.844297
  H      -7.903507      3.406981      4.335801
  H      -1.189612      2.473924      3.406382
  H      -2.815976      2.008069      3.769002
  H      -0.672489     -0.157993      3.994983
  H      -1.881384     -1.370441      2.401101
  H      -4.698731      2.928734      0.835722
  H      -7.054199     -0.656286     -0.773884
  H      -6.930517     -3.133992     -0.438461
  H      -5.143658     -4.105911      0.998709
  H      -3.472332     -2.648893      2.075512
  H      -3.480318     -0.206195      9.243279
  H      -4.281780      0.146308      7.723930
  H      -4.706788      1.965375     10.175088
  H      -7.010990      1.885683      9.680135
  H      -6.529920     -2.440246      6.563466
  H     -10.572176     -0.618081      5.404167
  H     -11.718353      1.556700      5.877903
  H     -10.614252      3.260346      7.324195
  H      -8.410148      2.805489      8.334474
  N      -2.662578      4.215394      5.072800
  N      -2.629138      4.945686      4.228526
91
Coordinates from ORCA-job orca E -6254.294449120142
  N      -2.767809      4.689181      7.638797
  Mo     -2.778082      2.831994      6.781934
  N      -2.842150      1.593217      8.340135
  C      -1.759695      1.571083      9.318206
  C      -0.918784      2.832220      9.186909
  N      -0.751746      3.162822      7.745908
  C      -0.374764      4.587500      7.556981
  C      -1.580223      5.467829      7.893829
  C       0.217445      2.237478      7.091986
  C      -0.092872      2.142689      5.618506
  N      -1.514789      1.881887      5.417789
  H      -1.545774      6.384590      7.274336
  H      -1.546481      5.809126      8.950461
  H      -0.106680      4.704257      6.498757
  H       0.514434      4.836976      8.169455
  H       0.523316      1.334618      5.179695
  H       0.220233      3.069524      5.090203
  H       0.084160      1.247697      7.552075
  H       1.258539      2.571315      7.282913
  H      -2.153431      1.527044     10.353835
  H      -1.144354      0.651527      9.191674
  H      -1.449387      3.671862      9.651137
  H       0.069434      2.729099      9.673807
  C      -4.062055      5.265264      7.397200
  C      -4.699059      3.946833      7.003880
  C      -5.682860      3.696392      5.958789
  C      -5.551283      2.447748      5.386024
  N      -4.359052      1.770407      5.722676
  C      -4.227750      0.474410      5.326896
  N      -5.046659     -0.216900      4.581976
  C      -6.182391      0.433145      4.130784
  C      -7.066810     -0.274631      3.285223
  C      -8.226392      0.324327      2.818707
  C      -8.534826      1.657483      3.195631
  C      -7.678912      2.363199      4.042240
  C      -6.488278      1.764116      4.512165
  C      -1.784800      1.716407      4.000984
  C      -1.504078      0.321290      3.536372
  C      -2.193099     -0.376110      2.607706
  C      -3.322985      0.112095      1.818571
  N      -3.467986      1.435270      1.657186
  C      -4.508343      1.867733      0.905016
  N      -5.397269      1.141159      0.251887
  C      -5.287766     -0.214194      0.411021
  C      -6.235171     -1.055005     -0.224324
  C      -6.185620     -2.424987     -0.040602
  C      -5.188289     -3.005502      0.783388
  C      -4.244151     -2.210095      1.400977
  C      -4.258823     -0.800787      1.218524
  C      -3.904164      0.631752      8.667170
  C      -5.014535      1.324462      9.388702
  C      -6.331345      1.274033      9.113047
  C      -6.982214      0.409723      8.116802
  N      -6.409152     -0.749787      7.775667
  C      -7.061469     -1.537422      6.882760
  N      -8.247455     -1.323976      6.336007
  C      -8.849191     -0.142750      6.652076
  C     -10.108365      0.174069      6.072918
  C     -10.720657      1.378836      6.344451
  C     -10.096895      2.327005      7.185090
  C      -8.872392      2.046985      7.767406
  C      -8.231727      0.796590      7.533841
  H      -4.053330      6.005917      6.572240
  H      -4.507916      5.767243      8.278582
  H      -4.924649      3.352550      7.914078
  H      -6.504882      4.388767      5.715293
  H      -3.310895     -0.024482      5.667973
  H      -6.805321     -1.302818      3.008181
  H      -8.899836     -0.233722      2.155289
  H      -9.450003      2.132036      2.834899
  H      -7.930502      3.382284      4.345475
  H      -1.173289      2.438343      3.397168
  H      -2.834020      1.972824      3.773523
  H      -0.688216     -0.202221      4.059106
  H      -1.903448     -1.426293      2.448849
  H      -4.600372      2.954991      0.820339
  H      -7.003560     -0.580471     -0.836354
  H      -6.926428     -3.067430     -0.522345
  H      -5.173489     -4.087340      0.938314
  H      -3.500462     -2.668737      2.053561
  H      -3.496691     -0.178914      9.298695
  H      -4.293484      0.139178      7.771461
  H      -4.687847      2.030829     10.167371
  H      -6.982620      1.950504      9.669030
  H      -6.540357     -2.457573      6.597487
  H     -10.554276     -0.556355      5.403329
  H     -11.688135      1.615326      5.894615
  H     -10.584454      3.282273      7.374159
  H      -8.390490      2.797698      8.397108
  N      -2.674464      4.196507      5.081178
  N      -2.652684      4.919541      4.234790
91
Coordinates from ORCA-job orca E -6254.295751745040
  N      -2.748011      4.688658      7.638623
  Mo     -2.759484      2.838801      6.777254
  N      -2.840407      1.592607      8.325731
  C      -1.769296      1.556300      9.312195
  C      -0.926190      2.812460      9.194063
  N      -0.742157      3.152201      7.758552
  C      -0.362174      4.575414      7.575956
  C      -1.565918      5.460112      7.904192
  C       0.230005      2.231612      7.113018
  C      -0.065155      2.149128      5.635611
  N      -1.485235      1.893168      5.426347
  H      -1.524723      6.381139      7.286432
  H      -1.543084      5.794018      8.961665
  H      -0.081232      4.698861      6.521812
  H       0.516212      4.815779      8.195335
  H       0.553354      1.342940      5.198998
  H       0.252478      3.079976      5.110569
  H       0.094662      1.240297      7.570232
  H       1.263598      2.564744      7.311278
  H      -2.175455      1.503239     10.341493
  H      -1.153378      0.639427      9.184754
  H      -1.457931      3.650660      9.658633
  H       0.054260      2.697275      9.686703
  C      -4.038670      5.273700      7.391567
  C      -4.677682      3.958742      6.995724
  C      -5.664676      3.709474      5.955915
  C      -5.540756      2.473961      5.377885
  N      -4.343861      1.803318      5.706665
  C      -4.210699      0.511027      5.309471
  N      -5.040267     -0.194120      4.576863
  C      -6.185053      0.447382      4.136335
  C      -7.080335     -0.255186      3.307123
  C      -8.239537      0.352125      2.849146
  C      -8.539894      1.675887      3.224235
  C      -7.677566      2.373044      4.057074
  C      -6.486373      1.784672      4.513810
  C      -1.764846      1.744873      3.991422
  C      -1.488022      0.350561      3.508092
  C      -2.179065     -0.352674      2.582879
  C      -3.327831      0.117312      1.807373
  N      -3.506065      1.436578      1.647751
  C      -4.567590      1.848510      0.910637
  N      -5.445025      1.103152      0.267607
  C      -5.303297     -0.248315      0.424144
  C      -6.244865     -1.105150     -0.195851
  C      -6.178054     -2.466994     -0.002401
  C      -5.170641     -3.021761      0.817353
  C      -4.228202     -2.210261      1.417820
  C      -4.259297     -0.810064      1.223931
  C      -3.903497      0.629637      8.629692
  C      -5.019445      1.306976      9.363097
  C      -6.340669      1.256471      9.091622
  C      -6.995948      0.415278      8.086953
  N      -6.423538     -0.742709      7.743991
  C      -7.078069     -1.530650      6.854785
  N      -8.270244     -1.330141      6.322145
  C      -8.872527     -0.143887      6.635791
  C     -10.138403      0.147652      6.072407
  C     -10.753111      1.353127      6.338770
  C     -10.122508      2.315156      7.163287
  C      -8.892450      2.047918      7.735909
  C      -8.250526      0.807082      7.504794
  H      -4.021727      6.013075      6.561644
  H      -4.488232      5.783393      8.272060
  H      -4.901632      3.377955      7.906509
  H      -6.483054      4.393843      5.727921
  H      -3.284015      0.021539      5.640996
  H      -6.831147     -1.280229      3.035432
  H      -8.920167     -0.196440      2.197346
  H      -9.457273      2.153458      2.869434
  H      -7.923555      3.388935      4.358166
  H      -1.161642      2.467282      3.392029
  H      -2.801747      2.007927      3.768204
  H      -0.675758     -0.164096      4.022767
  H      -1.882837     -1.388227      2.423814
  H      -4.694241      2.937744      0.832279
  H      -7.026587     -0.647815     -0.802158
  H      -6.914904     -3.122649     -0.470850
  H      -5.143848     -4.097951      0.981541
  H      -3.475383     -2.651012      2.068496
  H      -3.493728     -0.192579      9.245756
  H      -4.287409      0.153642      7.723908
  H      -4.696270      1.995887     10.153844
  H      -6.994592      1.916926      9.662902
  H      -6.552813     -2.438794      6.561604
  H     -10.590095     -0.599726      5.416109
  H     -11.726061      1.577437      5.897138
  H     -10.611445      3.274255      7.346572
  H      -8.407356      2.802095      8.355894
  N      -2.646559      4.217812      5.077177
  N      -2.611404      4.950370      4.235760
91
Coordinates from ORCA-job orca E -6254.293242341382
  N      -2.770608      4.692996      7.655017
  Mo     -2.784316      2.829157      6.795423
  N      -2.839443      1.593486      8.350227
  C      -1.752415      1.578524      9.323375
  C      -0.915816      2.840422      9.192725
  N      -0.758817      3.164920      7.753389
  C      -0.382437      4.589487      7.561314
  C      -1.582183      5.475198      7.901452
  C       0.203669      2.243253      7.097490
  C      -0.115464      2.133668      5.618637
  N      -1.526657      1.869183      5.428063
  H      -1.551630      6.388313      7.275664
  H      -1.536908      5.826422      8.957535
  H      -0.119709      4.700631      6.503888
  H       0.510779      4.843821      8.170260
  H       0.501712      1.323871      5.180175
  H       0.182606      3.053485      5.079939
  H       0.083800      1.259993      7.554795
  H       1.231762      2.584992      7.285982
  H      -2.138452      1.530186     10.351730
  H      -1.137524      0.670841      9.190111
  H      -1.445608      3.678538      9.658660
  H       0.072283      2.738679      9.676205
  C      -4.065897      5.268899      7.407954
  C      -4.696951      3.947277      7.020394
  C      -5.661378      3.686754      5.965328
  C      -5.530082      2.450052      5.394863
  N      -4.348692      1.771006      5.747192
  C      -4.216344      0.473224      5.351672
  N      -5.028507     -0.237546      4.598611
  C      -6.162621      0.416630      4.135856
  C      -7.044126     -0.269388      3.283646
  C      -8.193544      0.346354      2.809355
  C      -8.498042      1.637226      3.196549
  C      -7.648437      2.337477      4.043099
  C      -6.464605      1.757034      4.512912
  C      -1.808242      1.714177      4.001536
  C      -1.549680      0.322561      3.525947
  C      -2.231207     -0.372498      2.586495
  C      -3.346266      0.112113      1.801438
  N      -3.484768      1.424322      1.640015
  C      -4.520076      1.851651      0.889070
  N      -5.409083      1.130444      0.230585
  C      -5.297637     -0.221301      0.382584
  C      -6.243229     -1.060834     -0.255639
  C      -6.186294     -2.428233     -0.076364
  C      -5.189050     -3.005393      0.745564
  C      -4.250386     -2.208336      1.367462
  C      -4.271900     -0.801544      1.190793
  C      -3.893163      0.626249      8.676153
  C      -5.008631      1.309345      9.415046
  C      -6.338823      1.261473      9.152691
  C      -6.993515      0.433802      8.146814
  N      -6.417910     -0.722776      7.821302
  C      -7.059887     -1.507094      6.928597
  N      -8.233118     -1.322036      6.374099
  C      -8.839436     -0.123321      6.662737
  C     -10.085655      0.174722      6.067280
  C     -10.702629      1.381389      6.318291
  C     -10.092774      2.329108      7.162402
  C      -8.881957      2.067800      7.757870
  C      -8.236162      0.833894      7.540361
  H      -4.052495      6.000172      6.570107
  H      -4.517154      5.788086      8.286028
  H      -4.931783      3.368471      7.945851
  H      -6.463879      4.365787      5.715787
  H      -3.313277      0.001363      5.684640
  H      -6.792548     -1.301582      3.014789
  H      -8.863176     -0.193205      2.145599
  H      -9.408876      2.105261      2.835909
  H      -7.901826      3.367587      4.342452
  H      -1.197175      2.428255      3.419926
  H      -2.843753      1.976444      3.764361
  H      -0.740122     -0.221897      4.041289
  H      -1.948181     -1.415645      2.415994
  H      -4.606505      2.931331      0.803640
  H      -7.017413     -0.587545     -0.865599
  H      -6.919929     -3.072499     -0.560875
  H      -5.166269     -4.089577      0.893319
  H      -3.501474     -2.664085      2.019208
  H      -3.470323     -0.187573      9.300799
  H      -4.280368      0.131953      7.777355
  H      -4.681417      1.998529     10.197224
  H      -6.994497      1.928922      9.720983
  H      -6.537941     -2.461564      6.674586
  H     -10.521062     -0.566856      5.400599
  H     -11.661219      1.617040      5.851656
  H     -10.585382      3.291828      7.334466
  H      -8.413494      2.815979      8.390502
  N      -2.697078      4.186597      5.076114
  N      -2.659152      4.908251      4.218235
91
Coordinates from ORCA-job orca E -6254.295979884458
  N      -2.759698      4.691100      7.649789
  Mo     -2.774860      2.833624      6.790683
  N      -2.843668      1.593098      8.343222
  C      -1.764898      1.566572      9.322861
  C      -0.922959      2.825007      9.193318
  N      -0.753831      3.155404      7.753739
  C      -0.373391      4.578996      7.564459
  C      -1.572626      5.465542      7.900602
  C       0.211914      2.230543      7.102595
  C      -0.094629      2.131566      5.624983
  N      -1.511832      1.873869      5.428172
  H      -1.536201      6.381808      7.277368
  H      -1.535311      5.809139      8.956264
  H      -0.102561      4.695984      6.507898
  H       0.512667      4.823933      8.176816
  H       0.520616      1.315687      5.190318
  H       0.220161      3.056406      5.086541
  H       0.081240      1.242589      7.563205
  H       1.245137      2.565961      7.294423
  H      -2.161246      1.519889     10.355087
  H      -1.151208      0.650241      9.194406
  H      -1.451150      3.665070      9.658063
  H       0.061585      2.716276      9.679489
  C      -4.050840      5.275457      7.395882
  C      -4.686245      3.957311      7.006374
  C      -5.660465      3.701853      5.954850
  C      -5.534207      2.461892      5.385326
  N      -4.349061      1.784848      5.730241
  C      -4.218537      0.488834      5.336437
  N      -5.038026     -0.213019      4.592052
  C      -6.173441      0.436640      4.138178
  C      -7.061312     -0.263387      3.297976
  C      -8.216771      0.343550      2.830640
  C      -8.520217      1.664186      3.206048
  C      -7.662671      2.367889      4.044247
  C      -6.474157      1.775263      4.512103
  C      -1.792353      1.733393      3.997114
  C      -1.511861      0.343343      3.510704
  C      -2.195816     -0.355282      2.581680
  C      -3.340153      0.120680      1.809779
  N      -3.505134      1.438684      1.653111
  C      -4.558338      1.857508      0.911956
  N      -5.439245      1.121111      0.260203
  C      -5.307396     -0.231827      0.411671
  C      -6.247981     -1.083032     -0.219562
  C      -6.180192     -2.449475     -0.038017
  C      -5.174539     -3.014155      0.779802
  C      -4.236051     -2.207115      1.392251
  C      -4.267808     -0.802162      1.211920
  C      -3.900149      0.626227      8.656811
  C      -5.014609      1.305500      9.392916
  C      -6.337199      1.259413      9.121673
  C      -6.988060      0.422572      8.115730
  N      -6.415000     -0.738238      7.788228
  C      -7.065729     -1.529595      6.901333
  N      -8.248348     -1.329675      6.351438
  C      -8.850363     -0.139089      6.648203
  C     -10.107380      0.156597      6.067224
  C     -10.721601      1.365033      6.322261
  C     -10.099100      2.328571      7.150388
  C      -8.877058      2.063298      7.736064
  C      -8.235353      0.816710      7.518441
  H      -4.032436      6.008505      6.561198
  H      -4.502759      5.790896      8.271099
  H      -4.924473      3.379217      7.926774
  H      -6.470957      4.388706      5.708747
  H      -3.304489     -0.002563      5.676157
  H      -6.809734     -1.286838      3.026357
  H      -8.892278     -0.208110      2.172741
  H      -9.434712      2.134994      2.847710
  H      -7.910955      3.386148      4.343256
  H      -1.191461      2.459662      3.408662
  H      -2.827829      1.992307      3.772520
  H      -0.694750     -0.181260      4.021025
  H      -1.898859     -1.389037      2.415735
  H      -4.670252      2.943327      0.832920
  H      -7.027304     -0.619247     -0.826100
  H      -6.913031     -3.102216     -0.516082
  H      -5.145364     -4.095178      0.931904
  H      -3.483495     -2.654870      2.040443
  H      -3.482450     -0.190855      9.275292
  H      -4.285939      0.143133      7.755492
  H      -4.690464      1.992353     10.180088
  H      -6.994400      1.921554      9.689933
  H      -6.545595     -2.452760      6.629444
  H     -10.553477     -0.592248      5.410125
  H     -11.687708      1.590410      5.869376
  H     -10.587998      3.284365      7.326821
  H      -8.397162      2.819824      8.358141
  N      -2.669688      4.204354      5.078157
  N      -2.640308      4.931387      4.231642
91
Coordinates from ORCA-job orca E -6254.294564923853
  N      -2.738635      4.690790      7.641062
  Mo     -2.755464      2.843313      6.773644
  N      -2.837632      1.597771      8.321483
  C      -1.764739      1.561620      9.306372
  C      -0.915439      2.814966      9.189467
  N      -0.728361      3.156915      7.756606
  C      -0.348317      4.578840      7.575475
  C      -1.554677      5.462689      7.904830
  C       0.244009      2.237572      7.109175
  C      -0.059828      2.158057      5.635175
  N      -1.480234      1.898628      5.428780
  H      -1.515306      6.382447      7.288025
  H      -1.531050      5.797458      8.961522
  H      -0.067785      4.701279      6.520604
  H       0.532729      4.820478      8.194880
  H       0.557988      1.364923      5.191468
  H       0.248113      3.089990      5.122336
  H       0.113487      1.247089      7.564956
  H       1.277885      2.574074      7.303182
  H      -2.171360      1.507477     10.333055
  H      -1.150886      0.644204      9.176835
  H      -1.444877      3.655575      9.656048
  H       0.066648      2.695451      9.682056
  C      -4.028727      5.280517      7.404153
  C      -4.680429      3.971785      7.005598
  C      -5.665455      3.731921      5.965560
  C      -5.546265      2.489176      5.387217
  N      -4.344897      1.820027      5.709946
  C      -4.212251      0.527740      5.314001
  N      -5.045729     -0.178120      4.584302
  C      -6.194599      0.460406      4.147074
  C      -7.091405     -0.243435      3.317986
  C      -8.250805      0.365093      2.859766
  C      -8.550779      1.679681      3.240503
  C      -7.687739      2.372350      4.076780
  C      -6.495532      1.791819      4.529462
  C      -1.762237      1.732721      3.997843
  C      -1.511753      0.332932      3.534270
  C      -2.205575     -0.370860      2.600390
  C      -3.328376      0.107725      1.804951
  N      -3.487407      1.428401      1.639189
  C      -4.537442      1.849610      0.896405
  N      -5.424981      1.115179      0.257751
  C      -5.298864     -0.239384      0.418030
  C      -6.253978     -1.083364     -0.194221
  C      -6.205209     -2.444468      0.006794
  C      -5.198774     -3.013051      0.824893
  C      -4.245651     -2.213672      1.420261
  C      -4.263061     -0.812286      1.220131
  C      -3.906487      0.641781      8.638164
  C      -5.027296      1.332553      9.354257
  C      -6.346985      1.268323      9.079137
  C      -6.997407      0.402957      8.084046
  N      -6.418373     -0.758838      7.751877
  C      -7.064232     -1.556898      6.861247
  N      -8.255420     -1.365456      6.321717
  C      -8.862276     -0.181725      6.627100
  C     -10.124730      0.109936      6.047595
  C     -10.745156      1.312968      6.300317
  C     -10.125343      2.269131      7.131232
  C      -8.898521      2.005748      7.718503
  C      -8.250262      0.773256      7.497109
  H      -4.008558      6.026190      6.578032
  H      -4.476050      5.787094      8.290030
  H      -4.889310      3.383665      7.900430
  H      -6.482250      4.427105      5.732849
  H      -3.280172      0.041121      5.641697
  H      -6.843599     -1.279499      3.050271
  H      -8.932295     -0.181013      2.207018
  H      -9.470857      2.163218      2.883202
  H      -7.934069      3.393482      4.379047
  H      -1.142466      2.432326      3.386817
  H      -2.805171      2.012457      3.764828
  H      -0.714079     -0.192688      4.061757
  H      -1.924248     -1.423011      2.445966
  H      -4.649314      2.939424      0.813194
  H      -7.032945     -0.616135     -0.799313
  H      -6.953852     -3.088626     -0.456079
  H      -5.183514     -4.089269      0.994129
  H      -3.495733     -2.663260      2.073391
  H      -3.502392     -0.174595      9.269755
  H      -4.286169      0.151048      7.733981
  H      -4.710127      2.040765     10.138040
  H      -7.004977      1.936612      9.639015
  H      -6.534158     -2.470548      6.579473
  H     -10.567903     -0.626119      5.383917
  H     -11.715214      1.544996      5.840112
  H     -10.619211      3.244566      7.297180
  H      -8.421557      2.767331      8.337697
  N      -2.643506      4.215707      5.077998
  N      -2.602004      4.948449      4.234746
91
Coordinates from ORCA-job orca E -6254.296041928274
  N      -2.756972      4.688894      7.645081
  Mo     -2.767269      2.836376      6.778130
  N      -2.839743      1.590048      8.326039
  C      -1.762806      1.558434      9.308866
  C      -0.921966      2.817397      9.190601
  N      -0.745323      3.157431      7.754695
  C      -0.368289      4.581792      7.574466
  C      -1.573394      5.463568      7.906899
  C       0.226265      2.240079      7.103393
  C      -0.077526      2.155026      5.626055
  N      -1.495394      1.893226      5.422962
  H      -1.536635      6.383236      7.288768
  H      -1.545187      5.800146      8.964431
  H      -0.091722      4.705466      6.519818
  H       0.513669      4.825574      8.193075
  H       0.541652      1.352821      5.184385
  H       0.231701      3.085776      5.102413
  H       0.097122      1.249118      7.557706
  H       1.259443      2.576648      7.299077
  H      -2.162635      1.504074     10.338830
  H      -1.145484      0.644303      9.177590
  H      -1.454507      3.653945      9.658091
  H       0.061740      2.705221      9.681225
  C      -4.048711      5.271816      7.400009
  C      -4.685927      3.955962      7.001905
  C      -5.667311      3.708021      5.957155
  C      -5.544040      2.471184      5.380897
  N      -4.350396      1.797900      5.711879
  C      -4.218328      0.501688      5.315923
  N      -5.044501     -0.201837      4.579390
  C      -6.186629      0.444971      4.135550
  C      -7.079834     -0.254576      3.301227
  C      -8.238535      0.353387      2.841938
  C      -8.540822      1.670463      3.221983
  C      -7.679615      2.371801      4.056788
  C      -6.488178      1.782722      4.514623
  C      -1.773398      1.735491      3.994990
  C      -1.501702      0.339535      3.521455
  C      -2.192272     -0.362516      2.594949
  C      -3.329631      0.114334      1.811313
  N      -3.490112      1.432425      1.644654
  C      -4.540963      1.850270      0.899527
  N      -5.423973      1.111987      0.255019
  C      -5.297729     -0.239218      0.417175
  C      -6.244039     -1.090161     -0.204494
  C      -6.187470     -2.453347     -0.008274
  C      -5.186476     -3.015167      0.815341
  C      -4.242059     -2.209135      1.419026
  C      -4.263602     -0.807377      1.223777
  C      -3.901534      0.626602      8.638047
  C      -5.015836      1.305170      9.372778
  C      -6.338338      1.250968      9.104868
  C      -6.992690      0.408545      8.102556
  N      -6.420686     -0.752018      7.768118
  C      -7.070869     -1.538095      6.877224
  N      -8.255813     -1.337591      6.334477
  C      -8.857339     -0.146353      6.638157
  C     -10.113823      0.153642      6.060022
  C     -10.725561      1.364077      6.318158
  C     -10.101673      2.320614      7.149788
  C      -8.880522      2.050205      7.733573
  C      -8.240939      0.804711      7.510633
  H      -4.032340      6.012497      6.571610
  H      -4.498466      5.779645      8.281231
  H      -4.910776      3.367705      7.913747
  H      -6.480861      4.396289      5.721654
  H      -3.296873      0.016851      5.645780
  H      -6.830058     -1.282422      3.029885
  H      -8.917731     -0.195083      2.187612
  H      -9.458311      2.143276      2.869167
  H      -7.927301      3.392436      4.358329
  H      -1.166276      2.454047      3.395316
  H      -2.810354      1.997443      3.767075
  H      -0.691179     -0.182751      4.041027
  H      -1.903130     -1.402967      2.439222
  H      -4.650119      2.936891      0.812973
  H      -7.019320     -0.628302     -0.814990
  H      -6.926194     -3.105090     -0.478742
  H      -5.166219     -4.093047      0.980160
  H      -3.493763     -2.654906      2.072634
  H      -3.489287     -0.193144      9.256479
  H      -4.287846      0.144922      7.735580
  H      -4.691446      1.996119     10.159255
  H      -6.993531      1.912038      9.673756
  H      -6.548646     -2.460102      6.597729
  H     -10.560274     -0.591852      5.399961
  H     -11.690397      1.593224      5.865891
  H     -10.588624      3.277462      7.329255
  H      -8.400146      2.799722      8.359061
  N      -2.661089      4.211395      5.077490
  N      -2.624155      4.942582      4.234686
91
Coordinates from ORCA-job orca E -6254.296141984026
  N      -2.762151      4.680224      7.648146
  Mo     -2.767996      2.828026      6.779342
  N      -2.837932      1.581513      8.327552
  C      -1.761223      1.551687      9.309790
  C      -0.922476      2.812444      9.190707
  N      -0.747231      3.153333      7.754667
  C      -0.373675      4.579138      7.575244
  C      -1.580350      5.457937      7.909250
  C       0.226023      2.238328      7.101544
  C      -0.077913      2.152569      5.623863
  N      -1.494848      1.887878      5.421486
  H      -1.546121      6.377740      7.291260
  H      -1.551666      5.794904      8.966771
  H      -0.097575      4.704224      6.520623
  H       0.507893      4.824748      8.193711
  H       0.543248      1.350247      5.181002
  H       0.228984      3.085163      5.099084
  H       0.099446      1.246597      7.555169
  H       1.258030      2.577449      7.297071
  H      -2.160840      1.497129     10.339860
  H      -1.143374      0.638246      9.178199
  H      -1.455971      3.648065      9.658492
  H       0.061013      2.702445      9.680480
  C      -4.054768      5.260566      7.400988
  C      -4.688149      3.943530      7.002189
  C      -5.667950      3.692658      5.955907
  C      -5.539579      2.456118      5.378527
  N      -4.346468      1.785015      5.713220
  C      -4.211141      0.490298      5.316144
  N      -5.033985     -0.215072      4.577677
  C      -6.176019      0.429295      4.131459
  C      -7.064830     -0.272345      3.294273
  C      -8.223323      0.332618      2.831173
  C      -8.528301      1.649947      3.208139
  C      -7.670866      2.352882      4.045526
  C      -6.480097      1.766102      4.508457
  C      -1.772901      1.741035      3.991235
  C      -1.494172      0.351357      3.504160
  C      -2.184636     -0.346300      2.575459
  C      -3.332711      0.130248      1.810158
  N      -3.503891      1.448892      1.662645
  C      -4.566295      1.869173      0.935654
  N      -5.453213      1.133546      0.292854
  C      -5.315985     -0.219407      0.435833
  C      -6.263849     -1.068775     -0.185954
  C      -6.193148     -2.434673     -0.010502
  C      -5.175881     -3.001030      0.791556
  C      -4.230045     -2.196149      1.394821
  C      -4.265727     -0.791313      1.220141
  C      -3.903502      0.625440      8.646772
  C      -5.014243      1.321251      9.372842
  C      -6.336709      1.275297      9.103685
  C      -6.996511      0.418514      8.118332
  N      -6.442662     -0.760903      7.823983
  C      -7.105079     -1.566713      6.958924
  N      -8.285814     -1.365229      6.406575
  C      -8.868361     -0.156119      6.669690
  C     -10.119697      0.143931      6.079217
  C     -10.711080      1.371445      6.293754
  C     -10.071973      2.346000      7.093343
  C      -8.856674      2.075270      7.690665
  C      -8.237267      0.813737      7.510946
  H      -4.038998      6.000875      6.572343
  H      -4.507000      5.767579      8.281299
  H      -4.912624      3.354416      7.913495
  H      -6.482594      4.378596      5.719077
  H      -3.289053      0.005902      5.647205
  H      -6.811992     -1.298662      3.024200
  H      -8.899996     -0.218283      2.175751
  H      -9.446197      2.120993      2.852614
  H      -7.921632      3.371304      4.345919
  H      -1.170788      2.466609      3.398944
  H      -2.811234      2.000482      3.765222
  H      -0.675197     -0.169771      4.011339
  H      -1.887732     -1.382255      2.404369
  H      -4.683426      2.955803      0.864783
  H      -7.051653     -0.603671     -0.780134
  H      -6.932625     -3.085260     -0.480925
  H      -5.144251     -4.081587      0.939799
  H      -3.468921     -2.645534      2.031994
  H      -3.495749     -0.190847      9.274139
  H      -4.291494      0.137311      7.747625
  H      -4.685194      2.022980     10.147704
  H      -6.987834      1.953023      9.659747
  H      -6.598136     -2.504567      6.711792
  H     -10.577417     -0.615104      5.443864
  H     -11.671698      1.601956      5.829551
  H     -10.542804      3.320093      7.236265
  H      -8.363517      2.840145      8.290741
  N      -2.665229      4.204711      5.078728
  N      -2.630655      4.937168      4.236325
91
Coordinates from ORCA-job orca E -6254.296055621001
  N      -2.774724      4.669888      7.661259
  Mo     -2.777056      2.818289      6.789029
  N      -2.835518      1.569896      8.336614
  C      -1.753958      1.541542      9.312497
  C      -0.920485      2.806310      9.190573
  N      -0.754118      3.150330      7.753827
  C      -0.386927      4.578464      7.575171
  C      -1.594719      5.452283      7.916818
  C       0.219314      2.240195      7.092971
  C      -0.091594      2.153630      5.616153
  N      -1.507707      1.882496      5.421431
  H      -1.566967      6.372545      7.299260
  H      -1.561048      5.789471      8.974308
  H      -0.115801      4.706309      6.519601
  H       0.496501      4.826593      8.190049
  H       0.531362      1.352184      5.168967
  H       0.208302      3.089012      5.088401
  H       0.099469      1.247033      7.545634
  H       1.250206      2.583956      7.283794
  H      -2.147705      1.483439     10.344674
  H      -1.134526      0.630462      9.174749
  H      -1.454328      3.639218      9.662379
  H       0.065226      2.699978      9.674537
  C      -4.069509      5.246426      7.415324
  C      -4.698296      3.927553      7.017962
  C      -5.679891      3.671298      5.973645
  C      -5.548584      2.432752      5.399432
  N      -4.353839      1.766208      5.733697
  C      -4.218527      0.470417      5.343782
  N      -5.044131     -0.242470      4.615838
  C      -6.189819      0.396071      4.172132
  C      -7.081441     -0.314728      3.345738
  C      -8.240858      0.285081      2.879155
  C      -8.541891      1.608174      3.239084
  C      -7.682420      2.318735      4.068034
  C      -6.491344      1.735875      4.535971
  C      -1.792516      1.747274      3.989621
  C      -1.494048      0.368476      3.484286
  C      -2.175706     -0.329516      2.550708
  C      -3.338592      0.134351      1.803193
  N      -3.536362      1.451108      1.677679
  C      -4.612648      1.861850      0.965999
  N      -5.490863      1.119662      0.317991
  C      -5.325303     -0.233226      0.437132
  C      -6.259058     -1.091208     -0.194499
  C      -6.155550     -2.458959     -0.046631
  C      -5.118181     -3.018881      0.736211
  C      -4.185818     -2.204823      1.348395
  C      -4.255034     -0.797166      1.201838
  C      -3.898790      0.613619      8.660009
  C      -5.007170      1.315336      9.386927
  C      -6.327996      1.287139      9.108628
  C      -6.986519      0.448135      8.108818
  N      -6.442966     -0.734880      7.812650
  C      -7.107698     -1.528879      6.936757
  N      -8.279898     -1.309010      6.371965
  C      -8.850787     -0.096297      6.637772
  C     -10.096033      0.219817      6.040911
  C     -10.676433      1.449870      6.260697
  C     -10.031714      2.413348      7.070709
  C      -8.823373      2.126042      7.676017
  C      -8.216224      0.860526      7.491781
  H      -4.057601      5.986027      6.586150
  H      -4.522272      5.752369      8.295808
  H      -4.918714      3.337346      7.929767
  H      -6.497570      4.353088      5.737701
  H      -3.294162     -0.012280      5.673229
  H      -6.827621     -1.341300      3.083098
  H      -8.919307     -0.273038      2.231050
  H      -9.459003      2.077253      2.878071
  H      -7.931814      3.338594      4.357388
  H      -1.205066      2.486489      3.404373
  H      -2.835209      1.994842      3.770393
  H      -0.659376     -0.143654      3.974825
  H      -1.857760     -1.355729      2.360153
  H      -4.750896      2.946626      0.913392
  H      -7.062565     -0.631529     -0.774438
  H      -6.883685     -3.116399     -0.524655
  H      -5.060117     -4.101869      0.861717
  H      -3.408248     -2.649756      1.969815
  H      -3.489769     -0.203085      9.287345
  H      -4.288828      0.125467      7.760592
  H      -4.675228      2.010260     10.166383
  H      -6.977691      1.968084      9.665223
  H      -6.614589     -2.473926      6.696087
  H     -10.557983     -0.529276      5.397967
  H     -11.633736      1.693332      5.792310
  H     -10.493509      3.394666      7.215326
  H      -8.326066      2.883678      8.286065
  N      -2.687720      4.197574      5.087953
  N      -2.661110      4.932098      4.246415
91
Coordinates from ORCA-job orca E -6254.296208838584
  N      -2.771954      4.675320      7.657474
  Mo     -2.773349      2.823683      6.786034
  N      -2.836452      1.575488      8.333735
  C      -1.755986      1.546519      9.311673
  C      -0.921686      2.810482      9.192060
  N      -0.752031      3.154368      7.755917
  C      -0.383459      4.581877      7.577877
  C      -1.591883      5.456599      7.915989
  C       0.222515      2.243538      7.098220
  C      -0.085310      2.156593      5.621074
  N      -1.501640      1.886281      5.423302
  H      -1.561915      6.376849      7.298404
  H      -1.561052      5.793549      8.973509
  H      -0.109649      4.709206      6.522950
  H       0.498628      4.829329      8.194917
  H       0.537749      1.355960      5.176633
  H       0.216490      3.090458      5.094493
  H       0.100951      1.250917      7.551431
  H       1.253598      2.586625      7.291078
  H      -2.151460      1.488315     10.343138
  H      -1.136072      0.635306      9.175125
  H      -1.456374      3.643573      9.662846
  H       0.063593      2.703227      9.678419
  C      -4.065899      5.252619      7.408601
  C      -4.695095      3.933983      7.009581
  C      -5.674897      3.678594      5.963719
  C      -5.542027      2.441562      5.387686
  N      -4.347784      1.774179      5.723953
  C      -4.209404      0.479273      5.330032
  N      -5.032020     -0.231323      4.596300
  C      -6.176424      0.408730      4.150104
  C      -7.065681     -0.299517      3.318880
  C      -8.224189      0.301799      2.851497
  C      -8.527787      1.622906      3.216882
  C      -7.670360      2.331689      4.049270
  C      -6.480829      1.747353      4.518783
  C      -1.786135      1.744129      3.992907
  C      -1.501790      0.358806      3.497605
  C      -2.189663     -0.338468      2.566803
  C      -3.341413      0.134238      1.804889
  N      -3.518155      1.452232      1.658278
  C      -4.582497      1.868861      0.932093
  N      -5.465870      1.130559      0.287294
  C      -5.321912     -0.222221      0.427467
  C      -6.264048     -1.074850     -0.198564
  C      -6.185100     -2.441074     -0.028062
  C      -5.164921     -3.004721      0.772852
  C      -4.224797     -2.196448      1.380524
  C      -4.269203     -0.790859      1.211576
  C      -3.899687      0.617521      8.655319
  C      -5.008781      1.314212      9.384439
  C      -6.330663      1.277114      9.112057
  C      -6.990703      0.428683      8.120167
  N      -6.441666     -0.752471      7.824213
  C      -7.104805     -1.551356      6.952525
  N      -8.281299     -1.339888      6.394041
  C      -8.857011     -0.128182      6.657587
  C     -10.103689      0.182232      6.061641
  C     -10.685989      1.413625      6.274990
  C     -10.042104      2.382816      7.077918
  C      -8.832012      2.101592      7.681293
  C      -8.223325      0.834961      7.504577
  H      -4.051289      5.992428      6.579576
  H      -4.520348      5.758895      8.288133
  H      -4.917516      3.343742      7.920707
  H      -6.492787      4.360525      5.727408
  H      -3.285341     -0.002438      5.659844
  H      -6.811352     -1.326598      3.054361
  H      -8.900918     -0.254112      2.200245
  H      -9.445151      2.091803      2.857442
  H      -7.921243      3.351978      4.341835
  H      -1.190947      2.475403      3.401610
  H      -2.826505      1.998828      3.772499
  H      -0.676804     -0.160192      3.997260
  H      -1.885790     -1.371178      2.389312
  H      -4.703707      2.955011      0.862040
  H      -7.053757     -0.612086     -0.792351
  H      -6.919907     -3.094203     -0.502211
  H      -5.126115     -4.085819      0.915946
  H      -3.460410     -2.643981      2.015201
  H      -3.489585     -0.198756      9.280989
  H      -4.289102      0.129865      7.756243
  H      -4.677541      2.010839     10.162760
  H      -6.980645      1.955734      9.668953
  H      -6.605675     -2.494191      6.709693
  H     -10.564756     -0.571767      5.422756
  H     -11.642334      1.652846      5.806103
  H     -10.504657      3.361485      7.217813
  H      -8.334987      2.862733      8.283569
  N      -2.677253      4.203132      5.086302
  N      -2.647039      4.937702      4.245504
91
Coordinates from ORCA-job orca E -6254.296207806832
  N      -2.776291      4.672138      7.662384
  Mo     -2.774202      2.823136      6.784813
  N      -2.836373      1.570156      8.328965
  C      -1.754990      1.538793      9.305986
  C      -0.922817      2.804532      9.191092
  N      -0.753750      3.153931      7.756235
  C      -0.387393      4.582591      7.583324
  C      -1.597394      5.454342      7.923625
  C       0.222765      2.247365      7.095613
  C      -0.084862      2.164263      5.618285
  N      -1.500449      1.890681      5.420145
  H      -1.568540      6.376471      7.308780
  H      -1.567387      5.788286      8.982097
  H      -0.112970      4.713809      6.529029
  H       0.493947      4.829254      8.201799
  H       0.540184      1.366678      5.171794
  H       0.214490      3.100200      5.094529
  H       0.103373      1.253093      7.545693
  H       1.253081      2.592189      7.289570
  H      -2.149577      1.475627     10.337437
  H      -1.133603      0.629246      9.165096
  H      -1.458975      3.634983      9.664937
  H       0.062789      2.697171      9.677031
  C      -4.070293      5.248873      7.411848
  C      -4.697248      3.930775      7.007698
  C      -5.674957      3.676617      5.959508
  C      -5.539759      2.440712      5.381771
  N      -4.345874      1.773549      5.719956
  C      -4.207144      0.478200      5.327518
  N      -5.028906     -0.232791      4.593004
  C      -6.171796      0.407831      4.143289
  C      -7.059161     -0.300331      3.309881
  C      -8.215416      0.301866      2.838052
  C      -8.518567      1.623672      3.200992
  C      -7.663228      2.332214      4.035595
  C      -6.476149      1.747023      4.509958
  C      -1.785496      1.750973      3.989673
  C      -1.494813      0.368470      3.490602
  C      -2.183430     -0.331481      2.562336
  C      -3.343898      0.134979      1.809985
  N      -3.532587      1.452134      1.670965
  C      -4.607166      1.863233      0.956907
  N      -5.491642      1.120553      0.318692
  C      -5.335882     -0.231560      0.452254
  C      -6.278477     -1.089013     -0.166349
  C      -6.187911     -2.455058     -0.001025
  C      -5.155388     -3.013740      0.787289
  C      -4.214790     -2.200585      1.387575
  C      -4.270941     -0.794938      1.223299
  C      -3.898474      0.609724      8.647807
  C      -5.006605      1.302611      9.381944
  C      -6.328555      1.269033      9.109589
  C      -6.989650      0.428179      8.111694
  N      -6.443300     -0.752694      7.809062
  C      -7.108782     -1.545187      6.933344
  N      -8.285094     -1.327842      6.376721
  C      -8.857674     -0.116088      6.646859
  C     -10.104109      0.200812      6.053741
  C     -10.682760      1.432802      6.273962
  C     -10.035623      2.396023      7.081332
  C      -8.826072      2.108220      7.682484
  C      -8.221231      0.840791      7.498725
  H      -4.054218      5.990818      6.584759
  H      -4.527429      5.752538      8.291517
  H      -4.920417      3.337446      7.916576
  H      -6.493851      4.357567      5.723784
  H      -3.283786     -0.003486      5.658829
  H      -6.804707     -1.327995      3.046844
  H      -8.890556     -0.253790      2.185068
  H      -9.433868      2.093540      2.837677
  H      -7.913687      3.353660      4.325514
  H      -1.194135      2.486651      3.399546
  H      -2.827388      2.001228      3.771033
  H      -0.664300     -0.146581      3.985235
  H      -1.874084     -1.361962      2.380869
  H      -4.737838      2.948681      0.892769
  H      -7.077739     -0.630175     -0.750012
  H      -6.923117     -3.111960     -0.469352
  H      -5.107347     -4.094883      0.926622
  H      -3.440669     -2.644474      2.012842
  H      -3.486808     -0.208906      9.269098
  H      -4.288691      0.125943      7.747039
  H      -4.674162      1.993393     10.164999
  H      -6.977819      1.944535      9.670905
  H      -6.611252     -2.487451      6.683898
  H     -10.567952     -0.548410      5.411197
  H     -11.638666      1.677248      5.807249
  H     -10.495157      3.375084      7.226417
  H      -8.326713      2.864575      8.288367
  N      -2.677833      4.208168      5.089651
  N      -2.647867      4.946082      4.251819
91
Coordinates from ORCA-job orca E -6254.296187232708
  N      -2.782187      4.668720      7.663473
  Mo     -2.779632      2.820248      6.783341
  N      -2.840960      1.566283      8.327528
  C      -1.756494      1.532949      9.301378
  C      -0.925602      2.799383      9.187711
  N      -0.758739      3.150851      7.753231
  C      -0.392834      4.579736      7.581866
  C      -1.602920      5.450935      7.923564
  C       0.218022      2.245966      7.091010
  C      -0.090937      2.163842      5.614189
  N      -1.506017      1.887213      5.417393
  H      -1.574742      6.373191      7.308838
  H      -1.571697      5.784901      8.981956
  H      -0.118392      4.711900      6.527694
  H       0.488660      4.825728      8.200495
  H       0.535366      1.368135      5.166998
  H       0.206066      3.100456      5.091116
  H       0.100128      1.251208      7.540273
  H       1.248077      2.591988      7.284333
  H      -2.148032      1.466745     10.333692
  H      -1.134718      0.624367      9.156115
  H      -1.461962      3.628662      9.663500
  H       0.060964      2.692114      9.672145
  C      -4.074884      5.246772      7.407752
  C      -4.701525      3.929320      7.001590
  C      -5.677642      3.674266      5.952043
  C      -5.542456      2.436788      5.378229
  N      -4.350264      1.768822      5.721322
  C      -4.215425      0.469913      5.339178
  N      -5.039890     -0.244323      4.610437
  C      -6.179622      0.397543      4.153612
  C      -7.068881     -0.314010      3.325000
  C      -8.220982      0.289619      2.844958
  C      -8.517715      1.616406      3.194273
  C      -7.660907      2.328204      4.024350
  C      -6.478597      1.741248      4.507938
  C      -1.791062      1.751635      3.986544
  C      -1.488335      0.374271      3.481089
  C      -2.168521     -0.326055      2.546913
  C      -3.331097      0.135274      1.794825
  N      -3.535210      1.451670      1.671509
  C      -4.612771      1.858408      0.959636
  N      -5.487333      1.112927      0.311107
  C      -5.315873     -0.238656      0.429159
  C      -6.247303     -1.099749     -0.201051
  C      -6.141733     -2.466274     -0.050609
  C      -5.104939     -3.021901      0.733926
  C      -4.174962     -2.204904      1.345312
  C      -4.246489     -0.798388      1.196259
  C      -3.903697      0.607270      8.650331
  C      -5.004983      1.302804      9.392126
  C      -6.328465      1.275964      9.126880
  C      -6.999098      0.436998      8.133274
  N      -6.464890     -0.750914      7.835539
  C      -7.143441     -1.543449      6.970021
  N      -8.321786     -1.319607      6.420320
  C      -8.881268     -0.100488      6.684686
  C     -10.128998      0.224123      6.098375
  C     -10.693363      1.463943      6.312630
  C     -10.030917      2.427086      7.107452
  C      -8.820596      2.131643      7.702911
  C      -8.230197      0.856593      7.524976
  H      -4.054684      5.988209      6.580323
  H      -4.534870      5.751555      8.285312
  H      -4.926485      3.335500      7.909829
  H      -6.497463      4.353756      5.715527
  H      -3.293822     -0.012252      5.673579
  H      -6.818172     -1.345225      3.071254
  H      -8.897389     -0.268478      2.195590
  H      -9.429062      2.088052      2.823730
  H      -7.906404      3.354570      4.302615
  H      -1.204382      2.494378      3.399845
  H      -2.834741      1.995185      3.768841
  H      -0.653648     -0.136546      3.973292
  H      -1.848761     -1.352150      2.358357
  H      -4.756752      2.942894      0.908741
  H      -7.050315     -0.643566     -0.781121
  H      -6.868640     -3.126104     -0.527788
  H      -5.045007     -4.103802      0.861415
  H      -3.397258     -2.646878      1.967290
  H      -3.490266     -0.212637      9.268278
  H      -4.299695      0.125680      7.751080
  H      -4.664835      1.989863     10.175154
  H      -6.971998      1.953769      9.691697
  H      -6.654387     -2.490794      6.721170
  H     -10.605369     -0.525169      5.464987
  H     -11.649770      1.714614      5.850996
  H     -10.479129      3.411567      7.247341
  H      -8.309772      2.887251      8.299295
  N      -2.681153      4.207348      5.089936
  N      -2.650915      4.947677      4.254325
91
Coordinates from ORCA-job orca E -6254.296216932218
  N      -2.785982      4.667810      7.666155
  Mo     -2.779995      2.818303      6.788418
  N      -2.836541      1.566225      8.334389
  C      -1.751331      1.537731      9.307588
  C      -0.923302      2.805680      9.190421
  N      -0.758625      3.154824      7.755069
  C      -0.396366      4.584311      7.580741
  C      -1.608100      5.453275      7.922766
  C       0.219251      2.250728      7.093142
  C      -0.091495      2.165573      5.616815
  N      -1.506546      1.886394      5.422176
  H      -1.583232      6.374509      7.306366
  H      -1.575962      5.789062      8.980530
  H      -0.123767      4.715377      6.525949
  H       0.485405      4.833362      8.197658
  H       0.535785      1.370433      5.169974
  H       0.203223      3.102061      5.092098
  H       0.103993      1.256478      7.544282
  H       1.248916      2.599109      7.284495
  H      -2.141939      1.472939     10.340394
  H      -1.127536      0.630225      9.163955
  H      -1.461027      3.634734      9.665094
  H       0.063935      2.701493      9.674107
  C      -4.080550      5.242225      7.411160
  C      -4.704602      3.922405      7.008285
  C      -5.682761      3.662796      5.961832
  C      -5.544304      2.425868      5.387631
  N      -4.348182      1.762669      5.726834
  C      -4.205535      0.466806      5.336857
  N      -5.027138     -0.248912      4.606408
  C      -6.172525      0.387574      4.156461
  C      -7.060148     -0.326122      3.328011
  C      -8.218474      0.271682      2.855688
  C      -8.522910      1.594854      3.212375
  C      -7.667207      2.308972      4.041673
  C      -6.479208      1.727685      4.518164
  C      -1.794504      1.749382      3.992251
  C      -1.502451      0.368787      3.489484
  C      -2.189040     -0.328221      2.557297
  C      -3.346240      0.141789      1.801671
  N      -3.534132      1.459683      1.667814
  C      -4.603801      1.874194      0.948480
  N      -5.483384      1.134586      0.300151
  C      -5.328298     -0.218013      0.428110
  C      -6.266023     -1.072401     -0.201939
  C      -6.177091     -2.439054     -0.042341
  C      -5.151021     -3.001491      0.751252
  C      -4.214888     -2.191361      1.362441
  C      -4.269615     -0.785053      1.204638
  C      -3.897902      0.607406      8.661900
  C      -5.001706      1.306496      9.396057
  C      -6.323848      1.277960      9.124698
  C      -6.989569      0.430972      8.134382
  N      -6.458489     -0.762758      7.855087
  C      -7.131697     -1.560944      6.990779
  N      -8.302978     -1.337163      6.426249
  C      -8.858197     -0.111840      6.670264
  C     -10.095590      0.214395      6.063499
  C     -10.653685      1.460917      6.254868
  C      -9.995014      2.429042      7.046773
  C      -8.794748      2.132400      7.661777
  C      -8.211097      0.851005      7.507105
  H      -4.063373      5.982331      6.582474
  H      -4.540528      5.747339      8.288500
  H      -4.925795      3.329428      7.918071
  H      -6.505455      4.339410      5.726787
  H      -3.279179     -0.010639      5.665466
  H      -6.803806     -1.354609      3.069145
  H      -8.893911     -0.288169      2.206757
  H      -9.439081      2.061924      2.847810
  H      -7.918301      3.332419      4.325287
  H      -1.204736      2.487418      3.402427
  H      -2.837187      1.998425      3.776344
  H      -0.672619     -0.147933      3.983529
  H      -1.878840     -1.357864      2.372518
  H      -4.734687      2.959966      0.889270
  H      -7.060469     -0.610751     -0.789486
  H      -6.908871     -3.093534     -0.519458
  H      -5.104157     -4.083193      0.885724
  H      -3.445385     -2.638402      1.990960
  H      -3.484304     -0.207805      9.286041
  H      -4.291797      0.119505      7.765331
  H      -4.664655      1.999714     10.175020
  H      -6.969808      1.961075      9.680173
  H      -6.644576     -2.512803      6.756761
  H     -10.568705     -0.539127      5.432667
  H     -11.601946      1.712691      5.777220
  H     -10.437989      3.418330      7.168679
  H      -8.285966      2.891880      8.255104
  N      -2.685907      4.203941      5.093931
  N      -2.658022      4.943757      4.257791
91
Coordinates from ORCA-job orca E -6254.296184420175
  N      -2.791646      4.665369      7.667507
  Mo     -2.780893      2.816366      6.788610
  N      -2.836952      1.563147      8.333618
  C      -1.752505      1.535056      9.307228
  C      -0.926740      2.805064      9.192046
  N      -0.761204      3.156222      7.757067
  C      -0.401998      4.586946      7.584386
  C      -1.615730      5.453166      7.925815
  C       0.219207      2.254624      7.094647
  C      -0.090603      2.168715      5.617794
  N      -1.505081      1.886954      5.422909
  H      -1.592141      6.374774      7.309976
  H      -1.585293      5.788458      8.983834
  H      -0.128509      4.719682      6.530038
  H       0.478479      4.837474      8.202417
  H       0.538602      1.373994      5.170619
  H       0.202454      3.106510      5.092507
  H       0.106144      1.259787      7.545367
  H       1.247836      2.605307      7.286659
  H      -2.143717      1.468114     10.339779
  H      -1.127343      0.628731      9.162573
  H      -1.466375      3.632536      9.667112
  H       0.059820      2.702374      9.676399
  C      -4.086876      5.237479      7.410575
  C      -4.707669      3.916855      7.005800
  C      -5.682900      3.656088      5.956507
  C      -5.540637      2.419501      5.381384
  N      -4.344880      1.758221      5.724007
  C      -4.197719      0.464107      5.331224
  N      -5.015136     -0.252364      4.597265
  C      -6.160733      0.381604      4.145507
  C      -7.042761     -0.332694      3.311755
  C      -8.198745      0.264076      2.832656
  C      -8.505714      1.587553      3.186799
  C      -7.656205      2.301478      4.022813
  C      -6.470816      1.720727      4.506801
  C      -1.794383      1.748964      3.992670
  C      -1.504057      0.367618      3.490654
  C      -2.191372     -0.330906      2.560145
  C      -3.348470      0.136668      1.803096
  N      -3.530959      1.453858      1.655243
  C      -4.597370      1.865531      0.929313
  N      -5.476430      1.123236      0.283206
  C      -5.325781     -0.228958      0.423081
  C      -6.261764     -1.085970     -0.206230
  C      -6.175330     -2.452008     -0.037585
  C      -5.153126     -3.011250      0.764127
  C      -4.218472     -2.198600      1.374463
  C      -4.270966     -0.792820      1.208109
  C      -3.897106      0.602902      8.659157
  C      -4.998617      1.298066      9.401404
  C      -6.321023      1.273948      9.132000
  C      -6.987005      0.443818      8.128312
  N      -6.444773     -0.735838      7.814612
  C      -7.114577     -1.518164      6.932578
  N      -8.292188     -1.292614      6.381387
  C      -8.859476     -0.081193      6.662114
  C     -10.106927      0.244969      6.075718
  C     -10.679262      1.477623      6.306604
  C     -10.024537      2.433132      7.117517
  C      -8.814116      2.135888      7.712910
  C      -8.216463      0.866783      7.519035
  H      -4.069723      5.977934      6.582255
  H      -4.549329      5.741315      8.287255
  H      -4.929654      3.322918      7.914684
  H      -6.504887      4.332337      5.718336
  H      -3.270757     -0.012178      5.661943
  H      -6.782763     -1.359366      3.052093
  H      -8.869288     -0.296001      2.178448
  H      -9.419275      2.054733      2.815222
  H      -7.909997      3.323308      4.305745
  H      -1.205912      2.485700      3.401830
  H      -2.837049      1.998169      3.777468
  H      -0.674086     -0.148839      3.984367
  H      -1.881645     -1.361079      2.378143
  H      -4.723462      2.951114      0.858812
  H      -7.052930     -0.626602     -0.801220
  H      -6.905499     -3.108388     -0.514341
  H      -5.107947     -4.092467      0.905089
  H      -3.451574     -2.643083      2.008471
  H      -3.481493     -0.216343      9.277339
  H      -4.293780      0.120264      7.760332
  H      -4.659653      1.981357     10.188215
  H      -6.966982      1.947527      9.700185
  H      -6.624170     -2.462283      6.679071
  H     -10.576830     -0.497348      5.429843
  H     -11.636691      1.729327      5.845652
  H     -10.479332      3.414216      7.270228
  H      -8.309169      2.886049      8.323203
  N      -2.687003      4.202623      5.094600
  N      -2.659436      4.942981      4.258651
91
Coordinates from ORCA-job orca E -6254.296232606560
  N      -2.784898      4.668389      7.670145
  Mo     -2.779911      2.820598      6.788091
  N      -2.838024      1.565248      8.331493
  C      -1.752657      1.533709      9.304357
  C      -0.924035      2.801658      9.190400
  N      -0.758475      3.153749      7.755769
  C      -0.395253      4.583451      7.584625
  C      -1.606381      5.452571      7.928023
  C       0.219218      2.250648      7.091976
  C      -0.091717      2.168182      5.615380
  N      -1.506781      1.889381      5.420731
  H      -1.580861      6.374762      7.313127
  H      -1.573943      5.786618      8.986350
  H      -0.122061      4.716597      6.530264
  H       0.486417      4.830617      8.202449
  H       0.535526      1.373516      5.166789
  H       0.202922      3.105846      5.092069
  H       0.103863      1.255546      7.541251
  H       1.248882      2.598482      7.283951
  H      -2.142999      1.465975     10.337061
  H      -1.129275      0.626444      9.157829
  H      -1.461636      3.629892      9.666565
  H       0.062788      2.696043      9.674268
  C      -4.078134      5.245080      7.413174
  C      -4.703108      3.927146      7.006154
  C      -5.679016      3.670990      5.956700
  C      -5.541733      2.434045      5.381919
  N      -4.348675      1.767708      5.725183
  C      -4.209892      0.470482      5.338786
  N      -5.032257     -0.243959      4.608006
  C      -6.173347      0.395953      4.152400
  C      -7.060221     -0.315852      3.321594
  C      -8.213217      0.286134      2.841601
  C      -8.512815      1.611874      3.192635
  C      -7.658222      2.323930      4.024949
  C      -6.475617      1.738228      4.509340
  C      -1.795610      1.753185      3.990601
  C      -1.499916      0.373853      3.486263
  C      -2.186056     -0.325904      2.555794
  C      -3.348312      0.137939      1.804471
  N      -3.543365      1.454722      1.670155
  C      -4.618267      1.863259      0.955214
  N      -5.496589      1.118764      0.310675
  C      -5.334021     -0.233033      0.438838
  C      -6.269507     -1.092717     -0.187416
  C      -6.172271     -2.458953     -0.027953
  C      -5.139766     -3.015678      0.761686
  C      -4.205745     -2.200232      1.369100
  C      -4.268931     -0.794152      1.211204
  C      -3.898257      0.604053      8.655318
  C      -5.001840      1.298409      9.394640
  C      -6.324080      1.270431      9.124053
  C      -6.988824      0.430842      8.126850
  N      -6.451782     -0.756254      7.831861
  C      -7.123127     -1.547951      6.959870
  N      -8.297745     -1.324492      6.401994
  C      -8.859302     -0.105616      6.662566
  C     -10.101804      0.219703      6.065654
  C     -10.666743      1.460101      6.274397
  C     -10.009881      2.423353      7.073895
  C      -8.804613      2.127274      7.679616
  C      -8.214271      0.851352      7.507807
  H      -4.057745      5.986524      6.585784
  H      -4.539507      5.749512      8.290152
  H      -4.926965      3.332382      7.914139
  H      -6.499532      4.349594      5.720091
  H      -3.286459     -0.009892      5.671742
  H      -6.806953     -1.345746      3.066137
  H      -8.887844     -0.272193      2.190403
  H      -9.424497      2.082633      2.821423
  H      -7.906079      3.348856      4.304754
  H      -1.208614      2.493026      3.401102
  H      -2.839091      1.999613      3.775638
  H      -0.666785     -0.139821      3.977867
  H      -1.871958     -1.354235      2.370284
  H      -4.754634      2.948257      0.895452
  H      -7.068903     -0.635456     -0.772166
  H      -6.902155     -3.117523     -0.502233
  H      -5.086252     -4.097193      0.896093
  H      -3.431138     -2.642943      1.994634
  H      -3.483036     -0.214060      9.274827
  H      -4.292575      0.120453      7.756266
  H      -4.664788      1.985551     10.178941
  H      -6.971253      1.947095      9.686457
  H      -6.633463     -2.495894      6.716421
  H     -10.573437     -0.529260      5.428530
  H     -11.619382      1.711342      5.804534
  H     -10.458508      3.408938      7.209146
  H      -8.297566      2.883028      8.279857
  N      -2.682108      4.209004      5.096499
  N      -2.652451      4.951043      4.262228
91
Coordinates from ORCA-job orca E -6254.296234547383
  N      -2.793423      4.663337      7.671095
  Mo     -2.783208      2.815760      6.788296
  N      -2.837116      1.560121      8.331754
  C      -1.750546      1.531200      9.303457
  C      -0.925610      2.801493      9.189262
  N      -0.762105      3.154597      7.754677
  C      -0.403288      4.585427      7.583606
  C      -1.616882      5.451013      7.927622
  C       0.217910      2.254556      7.090270
  C      -0.093788      2.171367      5.613983
  N      -1.508106      1.888217      5.420198
  H      -1.594649      6.373073      7.312401
  H      -1.584548      5.785469      8.985797
  H      -0.130908      4.719499      6.529152
  H       0.477927      4.835087      8.201067
  H       0.535630      1.378934      5.164849
  H       0.197590      3.109998      5.090824
  H       0.105901      1.259077      7.539554
  H       1.246656      2.605534      7.281576
  H      -2.139649      1.462176     10.336545
  H      -1.124833      0.625628      9.156088
  H      -1.465288      3.628028      9.666047
  H       0.061904      2.698540      9.672434
  C      -4.088150      5.236538      7.413174
  C      -4.709458      3.916774      7.006415
  C      -5.685412      3.657173      5.957914
  C      -5.544506      2.420647      5.383229
  N      -4.348807      1.758339      5.725400
  C      -4.204885      0.462253      5.336756
  N      -5.024978     -0.254473      4.605664
  C      -6.169200      0.381355      4.152124
  C      -7.054210     -0.333063      3.321565
  C      -8.210297      0.264791      2.843820
  C      -8.514865      1.588882      3.196851
  C      -7.662037      2.303515      4.028733
  C      -6.476510      1.722039      4.510996
  C      -1.796984      1.752769      3.990147
  C      -1.499361      0.374248      3.484765
  C      -2.183806     -0.324770      2.552539
  C      -3.344749      0.139960      1.799685
  N      -3.540665      1.456964      1.668728
  C      -4.614086      1.866585      0.952198
  N      -5.490271      1.123092      0.303642
  C      -5.327139     -0.228865      0.428847
  C      -6.260858     -1.087563     -0.201346
  C      -6.163725     -2.454035     -0.044335
  C      -5.133103     -3.011987      0.746734
  C      -4.200705     -2.197515      1.357908
  C      -4.263767     -0.791201      1.202553
  C      -3.897325      0.600217      8.659737
  C      -4.997515      1.297463      9.401277
  C      -6.320202      1.274393      9.132427
  C      -6.989585      0.437646      8.135776
  N      -6.460898     -0.753940      7.843661
  C      -7.137749     -1.542870      6.973474
  N      -8.310602     -1.312311      6.414825
  C      -8.863563     -0.088809      6.672424
  C     -10.103224      0.244365      6.074077
  C     -10.658967      1.489565      6.279539
  C      -9.995667      2.449654      7.077427
  C      -8.793150      2.145937      7.684721
  C      -8.212075      0.865313      7.515864
  H      -4.069291      5.977703      6.585494
  H      -4.551269      5.740152      8.289694
  H      -4.930888      3.321356      7.914639
  H      -6.508452      4.332966      5.721898
  H      -3.278812     -0.014481      5.667492
  H      -6.797055     -1.361709      3.064624
  H      -8.883526     -0.295495      2.192901
  H      -9.428944      2.056372      2.827465
  H      -7.913508      3.327397      4.309638
  H      -1.210985      2.494014      3.401063
  H      -2.840882      1.997855      3.775595
  H      -0.666278     -0.139215      3.976683
  H      -1.868646     -1.352543      2.365786
  H      -4.751560      2.951644      0.895500
  H      -7.058970     -0.629403     -0.786930
  H      -6.892382     -3.111851     -0.521585
  H      -5.079731     -4.093690      0.879251
  H      -3.427599     -2.641245      1.984470
  H      -3.481336     -0.217494      9.279089
  H      -4.294895      0.116108      7.762546
  H      -4.656806      1.983749     10.184736
  H      -6.964036      1.953866      9.695125
  H      -6.653538     -2.493761      6.730278
  H     -10.579978     -0.502458      5.438161
  H     -11.609087      1.746924      5.808209
  H     -10.436935      3.438656      7.210021
  H      -8.280829      2.899076      8.283484
  N      -2.688931      4.204973      5.097623
  N      -2.661210      4.947908      4.264116
91
Coordinates from ORCA-job orca E -6254.296237142204
  N      -2.790866      4.665273      7.672077
  Mo     -2.782228      2.817630      6.789132
  N      -2.837105      1.561967      8.332571
  C      -1.750688      1.532603      9.304417
  C      -0.924855      2.802312      9.190057
  N      -0.760790      3.154863      7.755361
  C      -0.400764      4.585363      7.584002
  C      -1.613560      5.452062      7.927953
  C       0.218446      2.253817      7.091081
  C      -0.093462      2.170514      5.614772
  N      -1.508067      1.888623      5.421184
  H      -1.590737      6.373845      7.312351
  H      -1.580658      5.786898      8.985993
  H      -0.128299      4.719021      6.529522
  H       0.480682      4.834385      8.201385
  H       0.535227      1.377372      5.165627
  H       0.198704      3.108872      5.091348
  H       0.105666      1.258534      7.540631
  H       1.247483      2.603974      7.282230
  H      -2.139887      1.463834     10.337484
  H      -1.125505      0.626671      9.157130
  H      -1.464054      3.629356      9.666479
  H       0.062437      2.698788      9.673455
  C      -4.084862      5.239817      7.413331
  C      -4.707360      3.920750      7.006321
  C      -5.683016      3.662177      5.957327
  C      -5.543412      2.425186      5.383195
  N      -4.348928      1.761434      5.726627
  C      -4.206857      0.464732      5.339461
  N      -5.027618     -0.251419      4.608601
  C      -6.170389      0.385780      4.153489
  C      -7.055770     -0.327961      3.322785
  C      -8.210409      0.271336      2.843344
  C      -8.513078      1.596294      3.194725
  C      -7.659897      2.310293      4.026831
  C      -6.475804      1.727307      4.510778
  C      -1.797482      1.752957      3.991184
  C      -1.501877      0.373780      3.486346
  C      -2.187751     -0.325102      2.555038
  C      -3.348648      0.140194      1.802501
  N      -3.542336      1.457256      1.668810
  C      -4.615328      1.867277      0.951860
  N      -5.492764      1.124004      0.304732
  C      -5.331793     -0.227997      0.432443
  C      -6.266797     -1.086379     -0.196299
  C      -6.171627     -2.452765     -0.037029
  C      -5.141670     -3.010945      0.754848
  C      -4.207991     -2.196821      1.364555
  C      -4.269087     -0.790631      1.206960
  C      -3.896762      0.601137      8.659514
  C      -4.998568      1.297332      9.399705
  C      -6.320870      1.272160      9.129329
  C      -6.987649      0.433525      8.132529
  N      -6.456150     -0.757014      7.841526
  C      -7.130387     -1.547738      6.970857
  N      -8.303264     -1.320028      6.411059
  C      -8.858921     -0.097488      6.667300
  C     -10.098695      0.232743      6.067527
  C     -10.656895      1.477071      6.271233
  C      -9.995997      2.439224      7.068670
  C      -8.793503      2.138309      7.677505
  C      -8.210043      0.858559      7.510617
  H      -4.064653      5.980783      6.585512
  H      -4.547953      5.744166      8.289439
  H      -4.929697      3.325501      7.914425
  H      -6.504925      4.339039      5.720511
  H      -3.281846     -0.013208      5.671621
  H      -6.799974     -1.357154      3.066927
  H      -8.883895     -0.288441      2.192216
  H      -9.426026      2.064954      2.823958
  H      -7.910057      3.334653      4.306730
  H      -1.210896      2.493138      3.401574
  H      -2.841139      1.999203      3.776821
  H      -0.669314     -0.140443      3.978305
  H      -1.874111     -1.353502      2.369177
  H      -4.750888      2.952442      0.892937
  H      -7.064312     -0.627996     -0.782675
  H      -6.901236     -3.110301     -0.513177
  H      -5.089817     -4.092539      0.889116
  H      -3.435376     -2.640676      1.991703
  H      -3.480577     -0.216151      9.279383
  H      -4.292855      0.116588      7.761801
  H      -4.659693      1.984189     10.183460
  H      -6.966605      1.950645      9.691180
  H      -6.644754     -2.498388      6.729935
  H     -10.573451     -0.515531      5.431887
  H     -11.607159      1.732194      5.798750
  H     -10.439259      3.427715      7.199821
  H      -8.283086      2.892967      8.276203
  N      -2.685997      4.206375      5.098531
  N      -2.657163      4.949430      4.265108
91
Coordinates from ORCA-job orca E -6254.296238438975
  N      -2.791570      4.664738      7.674857
  Mo     -2.782923      2.817958      6.789604
  N      -2.837206      1.560702      8.331840
  C      -1.750273      1.530640      9.303116
  C      -0.924719      2.800629      9.189693
  N      -0.761068      3.154544      7.755260
  C      -0.401340      4.585261      7.585105
  C      -1.614105      5.451554      7.930186
  C       0.218135      2.254368      7.089759
  C      -0.094572      2.172138      5.613528
  N      -1.509176      1.889878      5.420609
  H      -1.591872      6.373580      7.314942
  H      -1.580511      5.785937      8.988346
  H      -0.129162      4.719906      6.530685
  H       0.480254      4.833848      8.202461
  H       0.534114      1.379555      5.163288
  H       0.196961      3.111062      5.090675
  H       0.105977      1.258692      7.538590
  H       1.247141      2.604727      7.280645
  H      -2.138901      1.460671     10.336312
  H      -1.124973      0.625004      9.154549
  H      -1.464002      3.627119      9.666962
  H       0.062682      2.696865      9.672779
  C      -4.085282      5.239826      7.415534
  C      -4.707858      3.921308      7.007107
  C      -5.683298      3.663780      5.957760
  C      -5.544042      2.426959      5.383087
  N      -4.349946      1.762626      5.726647
  C      -4.208216      0.466066      5.338854
  N      -5.029101     -0.249439      4.607528
  C      -6.171514      0.388329      4.152415
  C      -7.056951     -0.324676      3.321161
  C      -8.211089      0.275384      2.841451
  C      -8.513170      1.600394      3.193070
  C      -7.659975      2.313673      4.025804
  C      -6.476421      1.729878      4.510069
  C      -1.799417      1.754236      3.990741
  C      -1.502032      0.375544      3.485516
  C      -2.187176     -0.324404      2.554471
  C      -3.349429      0.138650      1.802726
  N      -3.546139      1.455314      1.669565
  C      -4.620421      1.863166      0.953312
  N      -5.496366      1.118148      0.306146
  C      -5.332268     -0.233540      0.433261
  C      -6.265457     -1.093835     -0.195573
  C      -6.167056     -2.460082     -0.036904
  C      -5.135537     -3.016211      0.754431
  C      -4.203552     -2.200170      1.364175
  C      -4.267966     -0.794047      1.207166
  C      -3.896540      0.599465      8.658619
  C      -4.997813      1.295037      9.400238
  C      -6.320156      1.270614      9.130119
  C      -6.987310      0.433539      8.132228
  N      -6.456086     -0.756605      7.839322
  C      -7.130691     -1.545888      6.967570
  N      -8.303655     -1.317120      6.408385
  C      -8.858971     -0.094812      6.666515
  C     -10.098866      0.236548      6.067626
  C     -10.656579      1.480777      6.273153
  C      -9.995042      2.441727      7.071510
  C      -8.792429      2.139655      7.679573
  C      -8.209562      0.859891      7.510952
  H      -4.064185      5.981270      6.588172
  H      -4.548865      5.743865      8.291558
  H      -4.930222      3.325064      7.914597
  H      -6.504721      4.341194      5.720919
  H      -3.283422     -0.012285      5.671049
  H      -6.801525     -1.353851      3.064970
  H      -8.884571     -0.283803      2.189800
  H      -9.425698      2.069665      2.822040
  H      -7.909774      3.337991      4.306043
  H      -1.214294      2.495302      3.400912
  H      -2.843556      1.999059      3.777076
  H      -0.668314     -0.137304      3.976957
  H      -1.871764     -1.352212      2.368328
  H      -4.758424      2.948032      0.894809
  H      -7.064233     -0.637056     -0.781542
  H      -6.895258     -3.119113     -0.513125
  H      -5.081129     -4.097749      0.888259
  H      -3.429699     -2.642490      1.990910
  H      -3.479821     -0.218372      9.277420
  H      -4.293244      0.115801      7.760665
  H      -4.658479      1.980561     10.184944
  H      -6.965772      1.948256      9.693194
  H      -6.645547     -2.496479      6.725494
  H     -10.574082     -0.510731      5.431183
  H     -11.606967      1.736785      5.801324
  H     -10.437934      3.430266      7.203987
  H      -8.281465      2.893297      8.279156
  N      -2.685910      4.208109      5.100835
  N      -2.656479      4.952426      4.268502
91
Coordinates from ORCA-job orca E -6254.296239672041
  N      -2.794316      4.663528      7.677145
  Mo     -2.783962      2.817031      6.790207
  N      -2.836991      1.559113      8.332113
  C      -1.749562      1.530099      9.302932
  C      -0.925394      2.800987      9.189621
  N      -0.762007      3.155161      7.755198
  C      -0.403625      4.586203      7.585048
  C      -1.617069      5.451614      7.930200
  C       0.217888      2.255891      7.089540
  C      -0.095433      2.173196      5.613456
  N      -1.509843      1.889578      5.421160
  H      -1.596385      6.372918      7.313844
  H      -1.582696      5.787204      8.987933
  H      -0.131526      4.721060      6.530644
  H       0.477787      4.835537      8.202363
  H       0.533816      1.381347      5.162691
  H       0.194929      3.112512      5.090574
  H       0.107040      1.260177      7.538618
  H       1.246592      2.607376      7.279932
  H      -2.137589      1.459315     10.336291
  H      -1.123310      0.625210      9.153777
  H      -1.465667      3.626861      9.666817
  H       0.062045      2.698222      9.672824
  C      -4.087649      5.238494      7.414780
  C      -4.709344      3.920008      7.005347
  C      -5.683632      3.662130      5.955232
  C      -5.544058      2.424655      5.381830
  N      -4.350603      1.760476      5.727669
  C      -4.208791      0.463353      5.341656
  N      -5.029062     -0.252735      4.610273
  C      -6.170609      0.384787      4.152830
  C      -7.055230     -0.328866      3.321301
  C      -8.208408      0.271151      2.839192
  C      -8.510381      1.596726      3.188699
  C      -7.658081      2.310670      4.021808
  C      -6.475489      1.726930      4.508424
  C      -1.800342      1.754499      3.991284
  C      -1.503040      0.375911      3.485630
  C      -2.188301     -0.323670      2.554424
  C      -3.350599      0.139680      1.803029
  N      -3.547625      1.456390      1.670868
  C      -4.622029      1.864563      0.954998
  N      -5.497787      1.119829      0.307240
  C      -5.333586     -0.231913      0.433596
  C      -6.266781     -1.091945     -0.195593
  C      -6.168416     -2.458275     -0.037478
  C      -5.136889     -3.014747      0.753637
  C      -4.204852     -2.198970      1.363669
  C      -4.269203     -0.792779      1.207170
  C      -3.895506      0.597319      8.659933
  C      -4.996243      1.292839      9.402436
  C      -6.318517      1.269378      9.132071
  C      -6.986026      0.433372      8.133400
  N      -6.456240     -0.757335      7.840467
  C      -7.131698     -1.545643      6.968392
  N      -8.304243     -1.315322      6.408999
  C      -8.858034     -0.092281      6.667114
  C     -10.097369      0.240785      6.068059
  C     -10.653154      1.485931      6.273266
  C      -9.990224      2.446050      7.071430
  C      -8.788198      2.142246      7.679838
  C      -8.207398      0.861521      7.511630
  H      -4.064616      5.979443      6.587035
  H      -4.553107      5.743213      8.289414
  H      -4.931717      3.323060      7.912437
  H      -6.504312      4.339796      5.716600
  H      -3.284456     -0.014699      5.675621
  H      -6.799914     -1.358471      3.066759
  H      -8.881205     -0.288509      2.187236
  H      -9.422209      2.065931      2.815829
  H      -7.907936      3.335323      4.300645
  H      -1.215531      2.495783      3.401483
  H      -2.844567      1.999312      3.777935
  H      -0.669438     -0.137053      3.977113
  H      -1.873087     -1.351499      2.368017
  H      -4.760332      2.949434      0.897406
  H      -7.065594     -0.634921     -0.781364
  H      -6.896619     -3.117097     -0.513971
  H      -5.082524     -4.096339      0.887092
  H      -3.431014     -2.641562      1.990250
  H      -3.477793     -0.220240      9.278428
  H      -4.292848      0.113546      7.762291
  H      -4.656480      1.977404     10.187782
  H      -6.964110      1.946672      9.695658
  H      -6.647662     -2.496744      6.726181
  H     -10.573602     -0.505834      5.431629
  H     -11.603064      1.743276      5.801132
  H     -10.431578      3.435403      7.203425
  H      -8.275943      2.895049      8.279430
  N      -2.685259      4.207035      5.102966
  N      -2.654410      4.952515      4.271618
91
Coordinates from ORCA-job orca E -6254.296240708582
  N      -2.796189      4.662547      7.679633
  Mo     -2.784850      2.816544      6.790765
  N      -2.836675      1.557699      8.332068
  C      -1.748793      1.529193      9.302448
  C      -0.925512      2.800670      9.189318
  N      -0.762634      3.155436      7.754972
  C      -0.405176      4.586721      7.585168
  C      -1.619007      5.451480      7.930821
  C       0.217578      2.256976      7.088738
  C      -0.096468      2.174300      5.612807
  N      -1.510803      1.889840      5.421211
  H      -1.599570      6.372337      7.313760
  H      -1.583793      5.787829      8.988267
  H      -0.133299      4.722018      6.530771
  H       0.476228      4.836375      8.202375
  H       0.532984      1.382992      5.161436
  H       0.193043      3.113916      5.090001
  H       0.107739      1.261130      7.537772
  H       1.246125      2.609186      7.278644
  H      -2.136303      1.457798     10.335960
  H      -1.121981      0.624769      9.152757
  H      -1.466300      3.626028      9.666810
  H       0.062077      2.698404      9.672350
  C      -4.089336      5.237523      7.415698
  C      -4.710540      3.919174      7.005410
  C      -5.684531      3.661395      5.955221
  C      -5.544975      2.423720      5.382095
  N      -4.351555      1.759703      5.728193
  C      -4.209207      0.462785      5.341556
  N      -5.029137     -0.253193      4.609715
  C      -6.170943      0.384020      4.152583
  C      -7.055413     -0.329618      3.320893
  C      -8.208884      0.270182      2.839204
  C      -8.511334      1.595493      3.189302
  C      -7.659190      2.309457      4.022553
  C      -6.476284      1.725952      4.508699
  C      -1.801851      1.754683      3.991463
  C      -1.503893      0.376214      3.485822
  C      -2.188530     -0.323599      2.554339
  C      -3.350613      0.139316      1.802368
  N      -3.548167      1.455945      1.670195
  C      -4.622166      1.863694      0.953490
  N      -5.497016      1.118613      0.304907
  C      -5.332308     -0.233053      0.431274
  C      -6.264584     -1.093454     -0.198757
  C      -6.165807     -2.459746     -0.040604
  C      -5.134747     -3.015811      0.751382
  C      -4.203551     -2.199672      1.362211
  C      -4.268344     -0.793508      1.205715
  C      -3.894821      0.595769      8.660697
  C      -4.994979      1.291531      9.403823
  C      -6.317281      1.269000      9.133528
  C      -6.985578      0.433579      8.134834
  N      -6.457509     -0.758012      7.842502
  C      -7.133988     -1.545695      6.970630
  N      -8.306193     -1.313996      6.411146
  C      -8.858248     -0.090005      6.668634
  C     -10.097020      0.244584      6.069300
  C     -10.650934      1.490713      6.273787
  C      -9.986649      2.450250      7.071490
  C      -8.785174      2.144946      7.680222
  C      -8.206292      0.863241      7.512750
  H      -4.065247      5.978330      6.587860
  H      -4.555805      5.742488      8.289648
  H      -4.932322      3.321299      7.912096
  H      -6.504667      4.339443      5.715845
  H      -3.284668     -0.014963      5.675370
  H      -6.799775     -1.359039      3.065879
  H      -8.881525     -0.289438      2.187059
  H      -9.423375      2.064489      2.816711
  H      -7.909423      3.333884      4.301946
  H      -1.217743      2.496321      3.401379
  H      -2.846309      1.998890      3.778524
  H      -0.670270     -0.136350      3.977697
  H      -1.872845     -1.351302      2.368074
  H      -4.761034      2.948503      0.896049
  H      -7.063082     -0.636765     -0.785186
  H      -6.893323     -3.118863     -0.517745
  H      -5.080065     -4.097378      0.884871
  H      -3.430086     -2.641967      1.989447
  H      -3.476633     -0.221691      9.278976
  H      -4.292821      0.111987      7.763374
  H      -4.654667      1.975716     10.189251
  H      -6.962427      1.946638      9.697201
  H      -6.651247     -2.497571      6.728827
  H     -10.574294     -0.501682      5.433220
  H     -11.600413      1.749169      5.801442
  H     -10.426521      3.440302      7.202884
  H      -8.271733      2.897179      8.279465
  N      -2.685233      4.207043      5.105335
  N      -2.653146      4.953600      4.274931
91
Coordinates from ORCA-job orca E -6254.296241606399
  N      -2.796739      4.662184      7.680069
  Mo     -2.784867      2.816121      6.790691
  N      -2.836444      1.557408      8.332167
  C      -1.748730      1.529510      9.302750
  C      -0.925690      2.801119      9.189281
  N      -0.762777      3.155570      7.754864
  C      -0.405532      4.586837      7.584723
  C      -1.619551      5.451604      7.929933
  C       0.217580      2.257045      7.088956
  C      -0.096390      2.173831      5.613056
  N      -1.510705      1.889251      5.421455
  H      -1.600559      6.371823      7.311894
  H      -1.584034      5.789070      8.986998
  H      -0.133439      4.721878      6.530351
  H       0.475729      4.836792      8.202016
  H       0.533069      1.382416      5.161947
  H       0.193113      3.113262      5.089954
  H       0.107916      1.261342      7.538346
  H       1.246068      2.609496      7.278755
  H      -2.136407      1.458545     10.336237
  H      -1.121746      0.625107      9.153615
  H      -1.466677      3.626509      9.666483
  H       0.061891      2.699165      9.672426
  C      -4.089765      5.237140      7.415138
  C      -4.710742      3.918774      7.004775
  C      -5.684557      3.660834      5.954628
  C      -5.545124      2.422859      5.381962
  N      -4.351739      1.758975      5.728198
  C      -4.209078      0.462163      5.341287
  N      -5.028743     -0.253786      4.609121
  C      -6.170807      0.383177      4.152312
  C      -7.055242     -0.330554      3.320647
  C      -8.209072      0.268962      2.839495
  C      -8.512001      1.594027      3.190180
  C      -7.659891      2.308085      4.023353
  C      -6.476524      1.724918      4.508852
  C      -1.801594      1.754070      3.991686
  C      -1.503733      0.375558      3.486136
  C      -2.188135     -0.323989      2.554301
  C      -3.349756      0.139443      1.801930
  N      -3.546869      1.456167      1.670109
  C      -4.620597      1.864449      0.953302
  N      -5.495643      1.119816      0.304474
  C      -5.331399     -0.231934      0.430521
  C      -6.263943     -1.091860     -0.199755
  C      -6.165651     -2.458213     -0.041913
  C      -5.134858     -3.014817      0.750017
  C      -4.203438     -2.199146      1.361126
  C      -4.267723     -0.792934      1.204945
  C      -3.894665      0.595720      8.661168
  C      -4.994776      1.292044      9.403830
  C      -6.317084      1.269793      9.133446
  C      -6.985749      0.434124      8.135239
  N      -6.457925     -0.757644      7.843129
  C      -7.134696     -1.545505      6.971663
  N      -8.306935     -1.313768      6.412294
  C      -8.858840     -0.089675      6.669651
  C     -10.097713      0.244841      6.070475
  C     -10.651650      1.490978      6.274943
  C      -9.987249      2.450600      7.072438
  C      -8.785627      2.145403      7.680902
  C      -8.206681      0.863702      7.513450
  H      -4.065125      5.977571      6.586979
  H      -4.556734      5.742545      8.288565
  H      -4.932023      3.320485      7.911336
  H      -6.504091      4.339298      5.714386
  H      -3.284452     -0.015446      5.675019
  H      -6.799394     -1.359858      3.065325
  H      -8.881707     -0.290740      2.187424
  H      -9.424384      2.062716      2.818058
  H      -7.910470      3.332310      4.303256
  H      -1.217352      2.495681      3.401651
  H      -2.846001      1.998440      3.778625
  H      -0.670433     -0.137190      3.978375
  H      -1.872637     -1.351746      2.368024
  H      -4.759035      2.949326      0.896027
  H      -7.062234     -0.634773     -0.786120
  H      -6.893368     -3.116978     -0.519242
  H      -5.080561     -4.096429      0.883242
  H      -3.430195     -2.641848      1.988329
  H      -3.476685     -0.221507      9.279882
  H      -4.292713      0.111567      7.764088
  H      -4.654390      1.976652     10.188859
  H      -6.961937      1.948038      9.696684
  H      -6.651915     -2.497346      6.729730
  H     -10.575057     -0.501560      5.434591
  H     -11.601228      1.749313      5.802784
  H     -10.427115      3.440608      7.203859
  H      -8.272043      2.897749      8.279831
  N      -2.684454      4.206184      5.105941
  N      -2.650978      4.952831      4.275625
