96
Coordinates from ORCA-job orca E -6661.733443808655
  N      -2.853599      0.599259      4.417623
  Mo     -3.589255      2.317473      5.090092
  N      -4.815774      1.477966      6.300806
  C      -4.357548      0.710089      7.439431
  C      -2.878398      0.368032      7.261797
  N      -2.185254      1.504309      6.625727
  C      -0.986100      1.040609      5.922120
  C      -1.434493      0.378464      4.595274
  C      -1.820716      2.499199      7.647248
  C      -1.844642      3.860654      6.962791
  N      -3.059299      3.847717      6.197332
  H      -0.865692      0.819607      3.763343
  H      -1.198911     -0.692034      4.635702
  H      -0.352872      1.904566      5.712836
  H      -0.424781      0.336478      6.548327
  H      -1.838725      4.665709      7.704432
  H      -0.969417      3.998636      6.305250
  H      -2.598461      2.507024      8.414310
  H      -0.853644      2.262370      8.102893
  H      -4.940409     -0.219152      7.550680
  H      -4.506292      1.295668      8.357895
  H      -2.782329     -0.507877      6.620080
  H      -2.414612      0.137291      8.227854
  C       0.212268     -1.725572     -2.051587
  C      -1.278315     -1.547563     -2.032408
  O      -1.922732     -1.538527     -3.072422
  C      -1.958928     -1.378921     -0.730846
  C      -3.341865     -1.191328     -0.768948
  C      -4.113316     -1.024731      0.367722
  O      -5.441038     -0.855998      0.222665
  C      -3.483466     -1.015554      1.642938
  C      -4.277564     -0.799203      2.831570
  O      -5.528020     -0.755723      2.775827
  C      -3.644933     -0.600592      4.212451
  C      -2.094682     -1.223977      1.675699
  C      -1.334137     -1.403342      0.537507
  O       0.002041     -1.606567      0.641939
  C      -9.917098      9.280628      5.868468
  C      -9.777715      8.007886      5.082694
  O     -10.733428      7.613960      4.382575
  C      -8.542461      7.258980      5.158663
  C      -7.504823      7.595305      6.048785
  C      -6.345385      6.862832      6.144056
  O      -5.364578      7.207840      7.019453
  C      -6.162066      5.713927      5.330322
  C      -5.042294      4.828113      5.430859
  O      -4.986529      3.784690      4.721164
  C      -3.863572      5.026980      6.326526
  C      -7.187952      5.391417      4.423405
  C      -8.350620      6.123265      4.326128
  O      -9.283313      5.726886      3.438118
  C     -12.470124      5.902705      6.665711
  C     -11.166845      6.243748      7.349174
  O     -11.088932      7.276398      8.007875
  C     -10.007552      5.340248      7.254799
  C      -8.952083      5.634942      8.128123
  C      -7.789573      4.894379      8.191545
  O      -6.834854      5.278166      9.058633
  C      -7.634752      3.766118      7.342181
  C      -6.388459      3.023367      7.365165
  O      -5.470411      3.319506      8.147206
  C      -6.202689      1.833884      6.422215
  C      -8.692805      3.465425      6.475523
  C      -9.849478      4.221938      6.405412
  O     -10.753218      3.810693      5.480532
  H       0.696419     -0.876479     -1.575808
  H       0.546675     -1.815567     -3.082506
  H       0.487226     -2.617696     -1.494281
  H      -3.829743     -1.185711     -1.731885
  H      -5.825590     -0.830538      1.137576
  H      -4.508913     -0.573336      4.895042
  H      -3.060089     -1.505717      4.430810
  H      -1.599347     -1.263065      2.630644
  H       0.262273     -1.603297      1.574183
  H     -10.051838      9.027189      6.920891
  H      -9.044153      9.916798      5.757857
  H     -10.805637      9.808435      5.528940
  H      -7.635591      8.442161      6.704969
  H      -5.665549      7.946656      7.566669
  H      -3.322806      5.943559      6.033930
  H      -4.184783      5.162999      7.369922
  H      -7.076818      4.524300      3.791899
  H     -10.052408      6.343839      3.551477
  H     -12.405074      6.184590      5.612206
  H     -12.731290      4.852787      6.772460
  H     -13.253606      6.514074      7.111248
  H      -9.061431      6.483746      8.786086
  H      -6.087021      4.633618      8.950150
  H      -6.590427      2.100185      5.436113
  H      -6.811023      1.005188      6.823087
  H      -8.638168      2.621169      5.808610
  H     -11.409274      4.496105      5.306591
  N      -2.501952      3.231702      3.503001
  H      -1.949563      4.030131      3.812417
  H      -3.106590      3.579472      2.760149
  H      -1.846132      2.592999      3.055430
96
Coordinates from ORCA-job orca E -6661.752303189272
  N      -2.855057      0.544560      4.426858
  Mo     -3.590540      2.267919      5.113737
  N      -4.842869      1.428747      6.330522
  C      -4.385853      0.645269      7.472867
  C      -2.909717      0.299137      7.296402
  N      -2.202069      1.446460      6.662391
  C      -0.992108      0.977388      5.954710
  C      -1.430465      0.320430      4.616684
  C      -1.845507      2.453164      7.691364
  C      -1.860539      3.815972      7.006241
  N      -3.070986      3.811161      6.221092
  H      -0.844216      0.763142      3.792176
  H      -1.199042     -0.755229      4.647069
  H      -0.353422      1.845148      5.755474
  H      -0.432673      0.269056      6.587954
  H      -1.860225      4.623961      7.751943
  H      -0.968303      3.949501      6.363079
  H      -2.633781      2.458561      8.452490
  H      -0.879994      2.211872      8.159557
  H      -4.975471     -0.283940      7.581514
  H      -4.529932      1.228171      8.397441
  H      -2.807461     -0.575982      6.648441
  H      -2.446683      0.062382      8.266262
  C       0.279994     -1.620410     -2.107867
  C      -1.211705     -1.400962     -2.061773
  O      -1.858022     -1.326781     -3.105786
  C      -1.907810     -1.268344     -0.748158
  C      -3.290662     -1.040502     -0.804495
  C      -4.083560     -0.898062      0.327361
  O      -5.404408     -0.685231      0.170210
  C      -3.479595     -0.958996      1.618375
  C      -4.294793     -0.769046      2.803570
  O      -5.546366     -0.685068      2.728162
  C      -3.673780     -0.640649      4.200280
  C      -2.092918     -1.206432      1.672978
  C      -1.308996     -1.361374      0.538840
  O       0.028147     -1.607238      0.664297
  C     -10.172369      9.057730      5.475356
  C      -9.894602      7.801730      4.692936
  O     -10.771317      7.366212      3.902545
  C      -8.631158      7.108513      4.868017
  C      -7.667396      7.489464      5.831558
  C      -6.485098      6.797314      6.014592
  O      -5.585408      7.164069      6.976248
  C      -6.199709      5.650778      5.215108
  C      -5.064287      4.791638      5.387714
  O      -4.975501      3.723648      4.686755
  C      -3.903251      4.995793      6.321300
  C      -7.154318      5.285236      4.238074
  C      -8.339231      5.971890      4.060070
  O      -9.214401      5.525502      3.134689
  C     -12.315475      6.241819      6.994964
  C     -10.985575      6.474142      7.681209
  O     -10.841329      7.479944      8.384595
  C      -9.878788      5.499453      7.532250
  C      -8.788342      5.688552      8.398865
  C      -7.671797      4.873479      8.395036
  O      -6.655244      5.166085      9.234758
  C      -7.606882      3.769775      7.493004
  C      -6.393040      2.969803      7.462126
  O      -5.455143      3.200077      8.262207
  C      -6.238106      1.806113      6.464103
  C      -8.700036      3.571333      6.630813
  C      -9.807062      4.411661      6.619734
  O     -10.747365      4.123306      5.674284
  H       0.802431     -0.805103     -1.595982
  H       0.598379     -1.670923     -3.153269
  H       0.543411     -2.550640     -1.593087
  H      -3.760324     -0.981462     -1.783828
  H      -5.791417     -0.680874      1.093917
  H      -4.545990     -0.612843      4.873839
  H      -3.105703     -1.565496      4.407761
  H      -1.614354     -1.298803      2.644847
  H       0.260454     -1.648664      1.607663
  H     -10.389528      8.776594      6.518196
  H      -9.323112      9.748184      5.453316
  H     -11.059042      9.545091      5.059757
  H      -7.878963      8.336845      6.481546
  H      -5.961518      7.887910      7.505305
  H      -3.357097      5.916788      6.036393
  H      -4.252065      5.142539      7.356706
  H      -6.969916      4.409549      3.621853
  H     -10.026243      6.104352      3.237112
  H     -12.240176      6.562457      5.944136
  H     -12.643286      5.198007      7.058031
  H     -13.062126      6.883881      7.472908
  H      -8.827516      6.521803      9.096224
  H      -5.958277      4.470635      9.057950
  H      -6.628689      2.104883      5.484207
  H      -6.863451      0.974551      6.840885
  H      -8.704630      2.756234      5.911929
  H     -11.335940      4.883267      5.531803
  N      -2.454608      3.195770      3.497801
  H      -1.903501      3.998457      3.813370
  H      -3.054450      3.547101      2.742864
  H      -1.790879      2.556078      3.049809
96
Coordinates from ORCA-job orca E -6661.762256729154
  N      -2.837344      0.503446      4.481462
  Mo     -3.531579      2.246429      5.193288
  N      -4.783033      1.432299      6.458850
  C      -4.296597      0.651118      7.604893
  C      -2.833413      0.284653      7.388352
  N      -2.119509      1.421733      6.717768
  C      -0.929891      0.923793      5.972048
  C      -1.406957      0.262365      4.644920
  C      -1.726241      2.448875      7.727113
  C      -1.735187      3.801471      7.023764
  N      -2.963600      3.810884      6.259299
  H      -0.822593      0.688548      3.806715
  H      -1.193244     -0.820413      4.668952
  H      -0.283662      1.785357      5.754026
  H      -0.361135      0.214649      6.603274
  H      -1.706434      4.621271      7.761517
  H      -0.845310      3.909506      6.367373
  H      -2.500685      2.468948      8.505396
  H      -0.752275      2.195594      8.179503
  H      -4.891081     -0.274275      7.737903
  H      -4.409788      1.242708      8.529172
  H      -2.751043     -0.597167      6.741772
  H      -2.340738      0.050761      8.347757
  C       0.093662     -1.547028     -2.187234
  C      -1.387027     -1.254003     -2.083612
  O      -2.053880     -1.095587     -3.110841
  C      -2.058051     -1.147974     -0.742684
  C      -3.432581     -0.848408     -0.762603
  C      -4.197562     -0.719376      0.395991
  O      -5.509759     -0.433255      0.288015
  C      -3.571535     -0.872206      1.672680
  C      -4.360270     -0.697286      2.882585
  O      -5.609085     -0.543153      2.829331
  C      -3.705859     -0.654468      4.270333
  C      -2.194559     -1.190471      1.691355
  C      -1.440107     -1.331191      0.529788
  O      -0.105075     -1.651327      0.604852
  C     -10.091753      9.126870      5.428506
  C      -9.805229      7.841927      4.690333
  O     -10.698344      7.376654      3.919541
  C      -8.539128      7.145080      4.873534
  C      -7.556732      7.536235      5.823466
  C      -6.378842      6.825851      6.010655
  O      -5.456953      7.177075      6.970084
  C      -6.110293      5.658762      5.226789
  C      -4.981079      4.796818      5.417259
  O      -4.900460      3.692260      4.733514
  C      -3.804181      5.005256      6.340606
  C      -7.081283      5.282942      4.260236
  C      -8.264476      5.982846      4.083786
  O      -9.161551      5.540482      3.177436
  C     -12.437992      5.986062      6.717800
  C     -11.142854      6.319804      7.437561
  O     -11.063378      7.383433      8.075623
  C      -9.986400      5.386909      7.392515
  C      -8.939432      5.685091      8.285957
  C      -7.785949      4.924449      8.372154
  O      -6.815501      5.323177      9.225654
  C      -7.634993      3.764898      7.537292
  C      -6.391118      3.009513      7.569281
  O      -5.465004      3.306284      8.380780
  C      -6.186765      1.812652      6.607825
  C      -8.686598      3.461188      6.645992
  C      -9.831502      4.247105      6.545360
  O     -10.719568      3.858678      5.573809
  H       0.681290     -0.785696     -1.649208
  H       0.375490     -1.559773     -3.248538
  H       0.330659     -2.518314     -1.723829
  H      -3.915800     -0.719591     -1.734968
  H      -5.856786     -0.447445      1.237500
  H      -4.561149     -0.609837      4.964980
  H      -3.162019     -1.603590      4.452121
  H      -1.699032     -1.354302      2.653590
  H       0.138457     -1.750198      1.544139
  H     -10.305919      8.898345      6.483063
  H      -9.243749      9.827413      5.382839
  H     -10.984327      9.594397      4.991569
  H      -7.752936      8.400707      6.467112
  H      -5.823439      7.908458      7.501859
  H      -3.248814      5.916900      6.032213
  H      -4.142903      5.183774      7.376444
  H      -6.911263      4.388988      3.656683
  H      -9.960115      6.156864      3.302597
  H     -12.340330      6.231983      5.640788
  H     -12.727787      4.929670      6.836853
  H     -13.232220      6.628309      7.122132
  H      -9.046078      6.562916      8.928484
  H      -6.086357      4.631231      9.110751
  H      -6.595284      2.071978      5.620876
  H      -6.795353      0.973909      7.001919
  H      -8.617265      2.604706      5.969356
  H     -11.327539      4.590366      5.352460
  N      -2.379973      3.161346      3.491035
  H      -1.816271      3.966391      3.786354
  H      -2.995144      3.511089      2.742494
  H      -1.729395      2.512871      3.029047
96
Coordinates from ORCA-job orca E -6661.767383481026
  N      -2.834664      0.448611      4.517662
  Mo     -3.551445      2.188721      5.228481
  N      -4.793518      1.386841      6.525415
  C      -4.282637      0.634562      7.680634
  C      -2.820863      0.276618      7.449219
  N      -2.122359      1.410933      6.752972
  C      -0.932788      0.913518      6.003428
  C      -1.404822      0.225688      4.689461
  C      -1.741125      2.469639      7.736501
  C      -1.768647      3.808617      7.008703
  N      -2.992251      3.793101      6.240552
  H      -0.819166      0.638746      3.846662
  H      -1.184374     -0.855672      4.725798
  H      -0.300391      1.781431      5.773273
  H      -0.350555      0.226276      6.645338
  H      -1.751589      4.639964      7.733409
  H      -0.875633      3.918052      6.358269
  H      -2.514124      2.487019      8.515988
  H      -0.764318      2.234923      8.191294
  H      -4.866799     -0.292102      7.839617
  H      -4.390093      1.244316      8.594529
  H      -2.730244     -0.610404      6.811098
  H      -2.309463      0.062839      8.402987
  C       0.050853     -1.401517     -2.180723
  C      -1.420567     -1.075671     -2.067738
  O      -2.078594     -0.850031     -3.086925
  C      -2.094307     -1.018289     -0.725446
  C      -3.460578     -0.688723     -0.729166
  C      -4.218307     -0.600014      0.438751
  O      -5.524450     -0.283040      0.354875
  C      -3.588544     -0.829319      1.703345
  C      -4.367308     -0.695763      2.924289
  O      -5.610551     -0.499507      2.883463
  C      -3.701414     -0.708702      4.304823
  C      -2.218803     -1.176787      1.702391
  C      -1.476556     -1.276737      0.530833
  O      -0.145941     -1.629825      0.571487
  C     -10.086088      9.056621      5.325651
  C      -9.822083      7.774981      4.576707
  O     -10.727379      7.330856      3.803003
  C      -8.570135      7.061051      4.752953
  C      -7.595475      7.452425      5.707576
  C      -6.428753      6.736757      5.909052
  O      -5.513123      7.082054      6.878086
  C      -6.156567      5.562417      5.138821
  C      -5.028464      4.716896      5.363406
  O      -4.927473      3.587966      4.707250
  C      -3.864882      4.963473      6.292841
  C      -7.117195      5.181168      4.162595
  C      -8.295139      5.888237      3.967746
  O      -9.179776      5.450220      3.048158
  C     -12.318865      6.085314      6.694282
  C     -11.044864      6.382762      7.461749
  O     -10.971176      7.433051      8.119707
  C      -9.904885      5.428973      7.441389
  C      -8.861500      5.700010      8.349699
  C      -7.727563      4.907634      8.441529
  O      -6.743288      5.261743      9.300878
  C      -7.600304      3.753035      7.601545
  C      -6.376973      2.976172      7.646722
  O      -5.461270      3.251463      8.479289
  C      -6.187006      1.784412      6.684903
  C      -8.646878      3.478167      6.694650
  C      -9.769798      4.291189      6.590552
  O     -10.665554      3.925723      5.615854
  H       0.657993     -0.687021     -1.602694
  H       0.334058     -1.368288     -3.239931
  H       0.263441     -2.398617     -1.763848
  H      -3.939886     -0.503050     -1.692719
  H      -5.858747     -0.327651      1.312958
  H      -4.546586     -0.678135      5.011905
  H      -3.151047     -1.656908      4.463385
  H      -1.722496     -1.399600      2.650688
  H       0.096524     -1.784155      1.502762
  H     -10.298739      8.831046      6.383686
  H      -9.226844      9.742928      5.285323
  H     -10.969707      9.542792      4.893056
  H      -7.791244      8.320628      6.344786
  H      -5.890482      7.806983      7.409823
  H      -3.324811      5.881138      5.977757
  H      -4.216370      5.153003      7.322338
  H      -6.943603      4.283198      3.568677
  H      -9.974431      6.089021      3.155343
  H     -12.182795      6.342773      5.624511
  H     -12.629391      5.032487      6.780672
  H     -13.115578      6.734466      7.079926
  H      -8.953393      6.578451      8.991308
  H      -6.043927      4.537321      9.174756
  H      -6.597563      2.049022      5.700909
  H      -6.800175      0.947484      7.074469
  H      -8.586503      2.628611      6.011816
  H     -11.247011      4.675878      5.394269
  N      -2.392409      3.092906      3.464589
  H      -1.842619      3.912466      3.740799
  H      -3.019756      3.418511      2.718884
  H      -1.738259      2.448208      3.006790
96
Coordinates from ORCA-job orca E -6661.770419075051
  N      -2.846554      0.403994      4.557114
  Mo     -3.555054      2.144828      5.280779
  N      -4.786328      1.368897      6.611763
  C      -4.253032      0.645682      7.771954
  C      -2.801269      0.271787      7.513231
  N      -2.107731      1.388174      6.786822
  C      -0.934268      0.875008      6.024447
  C      -1.422346      0.173216      4.727504
  C      -1.712758      2.467475      7.740787
  C      -1.743322      3.793182      6.990828
  N      -2.967307      3.773561      6.230518
  H      -0.834943      0.564918      3.876597
  H      -1.213527     -0.910036      4.772866
  H      -0.303923      1.739068      5.779022
  H      -0.344038      0.198901      6.668768
  H      -1.718222      4.633416      7.703876
  H      -0.852585      3.892210      6.337910
  H      -2.476094      2.494852      8.528727
  H      -0.733176      2.235444      8.188656
  H      -4.837368     -0.274075      7.961302
  H      -4.341240      1.274919      8.674399
  H      -2.725572     -0.620952      6.882133
  H      -2.266576      0.067719      8.455479
  C      -0.034007     -1.263817     -2.170805
  C      -1.489084     -0.889629     -2.033284
  O      -2.139649     -0.587125     -3.034487
  C      -2.160259     -0.875608     -0.689704
  C      -3.511576     -0.499440     -0.677202
  C      -4.265038     -0.443131      0.494998
  O      -5.559063     -0.080340      0.430277
  C      -3.640002     -0.756498      1.743780
  C      -4.406160     -0.653826      2.973880
  O      -5.639640     -0.404154      2.953679
  C      -3.726185     -0.739885      4.341073
  C      -2.283955     -1.149180      1.724969
  C      -1.551013     -1.217132      0.548827
  O      -0.233477     -1.618121      0.565507
  C      -9.991039      9.057478      5.240395
  C      -9.740016      7.765733      4.507355
  O     -10.639257      7.319896      3.727179
  C      -8.507038      7.041334      4.690822
  C      -7.520905      7.446646      5.621899
  C      -6.370763      6.718772      5.831365
  O      -5.441536      7.085083      6.778139
  C      -6.124637      5.514578      5.095622
  C      -5.010712      4.667374      5.346043
  O      -4.918766      3.516403      4.717386
  C      -3.847818      4.931426      6.268361
  C      -7.099815      5.119417      4.139814
  C      -8.266364      5.842228      3.938151
  O      -9.181962      5.399129      3.051880
  C     -12.354839      5.962691      6.649899
  C     -11.073412      6.319005      7.373654
  O     -11.011371      7.403666      7.967649
  C      -9.915226      5.387279      7.394797
  C      -8.871185      5.712672      8.284607
  C      -7.727278      4.935496      8.407857
  O      -6.743602      5.322890      9.253785
  C      -7.590578      3.751591      7.614283
  C      -6.364120      2.986796      7.689093
  O      -5.449409      3.296875      8.508452
  C      -6.171320      1.773896      6.769729
  C      -8.635593      3.427860      6.722271
  C      -9.767802      4.219059      6.593163
  O     -10.660445      3.802759      5.638334
  H       0.602699     -0.608343     -1.559823
  H       0.243774     -1.185115     -3.227425
  H       0.143884     -2.285760     -1.806955
  H      -3.980508     -0.250599     -1.629256
  H      -5.890854     -0.153399      1.390209
  H      -4.555850     -0.720496      5.066978
  H      -3.178627     -1.692353      4.464081
  H      -1.794759     -1.434208      2.657907
  H      -0.002121     -1.831453      1.487285
  H     -10.207163      8.856532      6.305145
  H      -9.123899      9.730998      5.196076
  H     -10.863693      9.549785      4.796887
  H      -7.693684      8.336193      6.231378
  H      -5.815974      7.819120      7.297695
  H      -3.311627      5.847414      5.946734
  H      -4.197134      5.131218      7.295915
  H      -6.950152      4.199947      3.576229
  H      -9.965088      6.053179      3.167300
  H     -12.244589      6.152425      5.564927
  H     -12.652449      4.915716      6.803705
  H     -13.151044      6.625445      7.008002
  H      -8.974344      6.615014      8.886607
  H      -6.041500      4.592311      9.155473
  H      -6.587153      2.008704      5.781896
  H      -6.778367      0.942559      7.180214
  H      -8.564003      2.557688      6.072271
  H     -11.235034      4.542626      5.377187
  N      -2.391397      3.023590      3.447795
  H      -1.843693      3.849388      3.703441
  H      -3.037130      3.334249      2.714941
  H      -1.747111      2.374272      2.987346
96
Coordinates from ORCA-job orca E -6661.771960272577
  N      -2.853169      0.361230      4.593214
  Mo     -3.570041      2.091209      5.332911
  N      -4.787297      1.324925      6.684003
  C      -4.234729      0.622513      7.844876
  C      -2.789116      0.243811      7.564362
  N      -2.105564      1.354978      6.822446
  C      -0.938370      0.842494      6.052321
  C      -1.431729      0.129255      4.766957
  C      -1.709819      2.448603      7.758679
  C      -1.750931      3.767145      6.996074
  N      -2.972516      3.737930      6.235161
  H      -0.842030      0.508235      3.911009
  H      -1.226542     -0.954684      4.820523
  H      -0.315563      1.709303      5.797344
  H      -0.336598      0.176575      6.696650
  H      -1.729586      4.611376      7.704825
  H      -0.860023      3.869508      6.344300
  H      -2.466883      2.478381      8.552532
  H      -0.726488      2.225514      8.203272
  H      -4.815699     -0.295156      8.055687
  H      -4.309225      1.262286      8.740832
  H      -2.724273     -0.649483      6.932641
  H      -2.237540      0.041078      8.497430
  C      -0.091617     -1.109265     -2.188078
  C      -1.531969     -0.697009     -2.017993
  O      -2.177788     -0.320369     -2.996106
  C      -2.197307     -0.733522     -0.671643
  C      -3.535967     -0.318660     -0.635396
  C      -4.284281     -0.300481      0.541113
  O      -5.566755      0.102873      0.502947
  C      -3.664738     -0.694307      1.767984
  C      -4.423498     -0.625501      3.003994
  O      -5.648004     -0.334029      3.001343
  C      -3.734903     -0.777405      4.359261
  C      -2.320877     -1.124581      1.726565
  C      -1.594797     -1.155603      0.545706
  O      -0.289951     -1.595690      0.539169
  C     -10.028155      8.953707      5.077065
  C      -9.773580      7.632533      4.402443
  O     -10.683957      7.138153      3.665301
  C      -8.533895      6.927535      4.603801
  C      -7.552029      7.372810      5.521006
  C      -6.400322      6.659585      5.760012
  O      -5.475293      7.077719      6.688760
  C      -6.146906      5.426641      5.071344
  C      -5.030683      4.594035      5.349819
  O      -4.933534      3.430477      4.741332
  C      -3.871825      4.879029      6.270411
  C      -7.117435      4.994083      4.127954
  C      -8.282974      5.706845      3.891953
  O      -9.182222      5.245962      3.000179
  C     -12.258077      6.066631      6.618224
  C     -10.979584      6.392757      7.360305
  O     -10.907235      7.472793      7.959269
  C      -9.837522      5.441804      7.399305
  C      -8.794231      5.761059      8.290400
  C      -7.664445      4.966020      8.433057
  O      -6.688499      5.346063      9.289683
  C      -7.541271      3.769656      7.652105
  C      -6.332177      2.974878      7.743212
  O      -5.407467      3.274326      8.554086
  C      -6.163795      1.747962      6.845087
  C      -8.587217      3.454238      6.757773
  C      -9.705643      4.261424      6.614659
  O     -10.607717      3.839094      5.671985
  H       0.570889     -0.510685     -1.547942
  H       0.180246     -0.981835     -3.241376
  H       0.056572     -2.153734     -1.880834
  H      -3.997980     -0.007066     -1.572013
  H      -5.894416     -0.002142      1.460870
  H      -4.553162     -0.784874      5.099172
  H      -3.181631     -1.729667      4.442072
  H      -1.838009     -1.468318      2.642766
  H      -0.067463     -1.866994      1.448095
  H     -10.215936      8.806390      6.155803
  H      -9.172355      9.635741      4.981037
  H     -10.915999      9.413007      4.628802
  H      -7.729837      8.283497      6.095554
  H      -5.866028      7.818097      7.186881
  H      -3.350216      5.804680      5.954003
  H      -4.224582      5.071994      7.298502
  H      -6.959874      4.057833      3.594901
  H      -9.945215      5.932055      3.053002
  H     -12.132615      6.257962      5.535676
  H     -12.581493      5.026126      6.761268
  H     -13.043264      6.745882      6.968450
  H      -8.888258      6.672673      8.879617
  H      -5.994058      4.602908      9.212767
  H      -6.581618      1.973936      5.856082
  H      -6.779530      0.927881      7.267407
  H      -8.527231      2.576162      6.118143
  H     -11.168020      4.583396      5.393969
  N      -2.407902      2.962604      3.450018
  H      -1.866959      3.796155      3.693998
  H      -3.074447      3.260230      2.730661
  H      -1.767477      2.313794      2.984341
96
Coordinates from ORCA-job orca E -6661.773360761931
  N      -2.855609      0.337183      4.626417
  Mo     -3.573481      2.060731      5.370857
  N      -4.775732      1.308715      6.738642
  C      -4.210327      0.629781      7.904436
  C      -2.771062      0.241495      7.608336
  N      -2.094323      1.342521      6.849435
  C      -0.934198      0.823774      6.076671
  C      -1.437126      0.092893      4.807091
  C      -1.692706      2.448310      7.766988
  C      -1.736394      3.756924      6.986863
  N      -2.956055      3.720800      6.222852
  H      -0.842789      0.448939      3.943578
  H      -1.243350     -0.992096      4.880147
  H      -0.315293      1.688521      5.805185
  H      -0.323616      0.167396      6.722870
  H      -1.716231      4.608194      7.687499
  H      -0.844990      3.855553      6.335245
  H      -2.443303      2.491452      8.566326
  H      -0.706680      2.231995      8.209602
  H      -4.789204     -0.284254      8.138541
  H      -4.272521      1.282876      8.791225
  H      -2.723378     -0.655227      6.979626
  H      -2.207918      0.038720      8.534787
  C      -0.138610     -1.034245     -2.192064
  C      -1.560945     -0.570728     -2.005310
  O      -2.190149     -0.127126     -2.966168
  C      -2.225743     -0.638781     -0.660592
  C      -3.548443     -0.177671     -0.602000
  C      -4.292876     -0.181012      0.576882
  O      -5.559476      0.270911      0.560988
  C      -3.685279     -0.645033      1.783442
  C      -4.436990     -0.589398      3.024507
  O      -5.648713     -0.248626      3.038368
  C      -3.742789     -0.793736      4.369641
  C      -2.357288     -1.120657      1.720349
  C      -1.635572     -1.131312      0.536201
  O      -0.348014     -1.615872      0.509003
  C      -9.970804      8.962352      5.007357
  C      -9.746039      7.628146      4.349394
  O     -10.664956      7.160825      3.605759
  C      -8.516223      6.900585      4.561259
  C      -7.517343      7.364180      5.453270
  C      -6.366762      6.650231      5.700844
  O      -5.422777      7.096990      6.596477
  C      -6.131891      5.394472      5.049389
  C      -5.020485      4.560117      5.343519
  O      -4.933439      3.383523      4.761249
  C      -3.861211      4.856902      6.257982
  C      -7.116096      4.942872      4.131312
  C      -8.279747      5.654778      3.884813
  O      -9.187558      5.161959      3.021668
  C     -12.273328      6.027677      6.599468
  C     -10.987860      6.370235      7.322758
  O     -10.901308      7.471386      7.880408
  C      -9.849639      5.417250      7.381328
  C      -8.798900      5.763884      8.251627
  C      -7.667788      4.975462      8.408410
  O      -6.689891      5.380921      9.249235
  C      -7.545044      3.760739      7.657440
  C      -6.329870      2.973758      7.762435
  O      -5.406943      3.296219      8.564334
  C      -6.154459      1.726895      6.894039
  C      -8.599895      3.415665      6.785502
  C      -9.725675      4.212248      6.634632
  O     -10.643886      3.752761      5.725797
  H       0.546134     -0.490667     -1.526604
  H       0.141323     -0.874738     -3.238904
  H      -0.034777     -2.095932     -1.927974
  H      -4.000724      0.189793     -1.523112
  H      -5.888924      0.143444      1.512971
  H      -4.552433     -0.825687      5.118972
  H      -3.187837     -1.746884      4.415101
  H      -1.884484     -1.514494      2.621533
  H      -0.133600     -1.936760      1.403585
  H     -10.161626      8.834277      6.085631
  H      -9.098747      9.622063      4.903274
  H     -10.846595      9.438300      4.552362
  H      -7.677398      8.297604      5.995749
  H      -5.805530      7.846359      7.087141
  H      -3.347900      5.787591      5.943715
  H      -4.214909      5.046214      7.287610
  H      -6.972434      3.988089      3.627749
  H      -9.960537      5.835377      3.073915
  H     -12.154109      6.179260      5.510132
  H     -12.605256      4.995877      6.780854
  H     -13.049552      6.726615      6.930560
  H      -8.889311      6.693133      8.813758
  H      -5.988422      4.647055      9.183498
  H      -6.575254      1.926563      5.900277
  H      -6.765025      0.911821      7.334250
  H      -8.544306      2.519933      6.169939
  H     -11.209719      4.484478      5.424016
  N      -2.419816      2.911111      3.449002
  H      -1.880083      3.749449      3.678414
  H      -3.105760      3.197572      2.743271
  H      -1.787142      2.257223      2.980278
96
Coordinates from ORCA-job orca E -6661.774461062428
  N      -2.863609      0.324399      4.644936
  Mo     -3.582221      2.042689      5.388084
  N      -4.765999      1.300943      6.771242
  C      -4.187957      0.641742      7.941421
  C      -2.753509      0.247820      7.630553
  N      -2.085759      1.342355      6.856601
  C      -0.931734      0.818883      6.079467
  C      -1.446997      0.064060      4.829594
  C      -1.678994      2.458819      7.758220
  C      -1.726599      3.758449      6.962320
  N      -2.945901      3.713642      6.194773
  H      -0.849701      0.390551      3.955933
  H      -1.268390     -1.021315      4.929455
  H      -0.320107      1.681704      5.785968
  H      -0.309008      0.174338      6.726395
  H      -1.709826      4.616612      7.654800
  H      -0.835318      3.854668      6.310249
  H      -2.422860      2.515419      8.563129
  H      -0.689755      2.250337      8.197989
  H      -4.762280     -0.269565      8.197688
  H      -4.239155      1.306901      8.820008
  H      -2.723311     -0.651295      7.003663
  H      -2.180314      0.043163      8.550612
  C      -0.135779     -1.026006     -2.175220
  C      -1.541850     -0.512368     -1.991639
  O      -2.143602     -0.018501     -2.946503
  C      -2.219637     -0.592657     -0.654821
  C      -3.526718     -0.087323     -0.591162
  C      -4.279598     -0.094232      0.582332
  O      -5.528392      0.405913      0.567312
  C      -3.697666     -0.609533      1.781458
  C      -4.448679     -0.548508      3.024037
  O      -5.645730     -0.158244      3.050174
  C      -3.756672     -0.797466      4.362471
  C      -2.385259     -1.128619      1.712693
  C      -1.654945     -1.135231      0.532663
  O      -0.384791     -1.661234      0.502612
  C      -9.972190      8.962638      4.975308
  C      -9.741553      7.619378      4.335949
  O     -10.662497      7.129088      3.612240
  C      -8.506486      6.898839      4.549953
  C      -7.491154      7.369793      5.420992
  C      -6.340836      6.649505      5.664217
  O      -5.377440      7.099224      6.538047
  C      -6.127236      5.382828      5.030215
  C      -5.019387      4.542828      5.328852
  O      -4.943226      3.355978      4.769800
  C      -3.857942      4.847048      6.237296
  C      -7.127432      4.926100      4.132580
  C      -8.287713      5.644375      3.890256
  O      -9.215432      5.146563      3.049906
  C     -12.270079      6.023637      6.584661
  C     -10.984591      6.365814      7.309275
  O     -10.889272      7.473493      7.854777
  C      -9.857257      5.401427      7.383393
  C      -8.802100      5.754028      8.246409
  C      -7.675671      4.962596      8.410676
  O      -6.694762      5.370446      9.246833
  C      -7.556444      3.742718      7.671774
  C      -6.335315      2.965965      7.782223
  O      -5.413933      3.311276      8.575387
  C      -6.150424      1.707033      6.929221
  C      -8.615398      3.387613      6.810034
  C      -9.743036      4.183141      6.656089
  O     -10.671417      3.710447      5.764067
  H       0.560929     -0.525491     -1.487872
  H       0.164032     -0.851700     -3.214388
  H      -0.077277     -2.097951     -1.937451
  H      -3.959745      0.320653     -1.504876
  H      -5.873103      0.269235      1.510860
  H      -4.562245     -0.851901      5.115162
  H      -3.202095     -1.751647      4.375197
  H      -1.930670     -1.557181      2.608045
  H      -0.186826     -2.016660      1.387655
  H     -10.142085      8.850250      6.057698
  H      -9.110577      9.631723      4.843006
  H     -10.861983      9.419837      4.527914
  H      -7.636797      8.313739      5.950115
  H      -5.746838      7.851092      7.035131
  H      -3.354391      5.784072      5.927982
  H      -4.212170      5.027121      7.269679
  H      -7.000352      3.961307      3.643179
  H      -9.981634      5.821643      3.103990
  H     -12.142208      6.154271      5.493194
  H     -12.615179      4.999081      6.783977
  H     -13.039778      6.737839      6.899466
  H      -8.885255      6.691854      8.795869
  H      -5.997623      4.638089      9.185382
  H      -6.579810      1.885585      5.934556
  H      -6.749989      0.892714      7.384948
  H      -8.563532      2.484721      6.203228
  H     -11.237343      4.437328      5.449570
  N      -2.444448      2.873575      3.434549
  H      -1.904050      3.715233      3.648567
  H      -3.148817      3.150652      2.743677
  H      -1.821042      2.214763      2.961187
96
Coordinates from ORCA-job orca E -6661.775365157608
  N      -2.868000      0.319956      4.666775
  Mo     -3.590630      2.031348      5.407287
  N      -4.758818      1.293526      6.799198
  C      -4.171187      0.647557      7.972845
  C      -2.739604      0.251289      7.649570
  N      -2.079669      1.344562      6.867121
  C      -0.929228      0.820792      6.084292
  C      -1.454488      0.039798      4.855497
  C      -1.672235      2.468420      7.759006
  C      -1.724833      3.763650      6.954859
  N      -2.942251      3.710093      6.181003
  H      -0.852636      0.331538      3.972634
  H      -1.296027     -1.045316      4.986254
  H      -0.329277      1.683835      5.768707
  H      -0.291932      0.190035      6.730615
  H      -1.716688      4.624926      7.643478
  H      -0.832693      3.863520      6.305068
  H      -2.411777      2.531660      8.567506
  H      -0.680593      2.267312      8.196999
  H      -4.740904     -0.261367      8.246543
  H      -4.213985      1.322033      8.845194
  H      -2.724248     -0.647012      7.020606
  H      -2.158740      0.041565      8.563640
  C      -0.150477     -1.057711     -2.190065
  C      -1.529321     -0.477123     -1.992886
  O      -2.103502      0.073165     -2.934731
  C      -2.211924     -0.559048     -0.659378
  C      -3.493019      0.010170     -0.583222
  C      -4.247612      0.013979      0.588626
  O      -5.467056      0.584718      0.585892
  C      -3.697882     -0.560954      1.775768
  C      -4.447555     -0.484624      3.018166
  O      -5.620498     -0.025876      3.053704
  C      -3.767885     -0.788200      4.350531
  C      -2.411858     -1.143076      1.695124
  C      -1.678165     -1.157858      0.516212
  O      -0.436199     -1.745448      0.477499
  C      -9.986003      8.946195      4.931252
  C      -9.749555      7.599591      4.299863
  O     -10.662439      7.102468      3.572709
  C      -8.513621      6.882689      4.526442
  C      -7.500156      7.360085      5.395774
  C      -6.349668      6.640736      5.647687
  O      -5.385356      7.097272      6.517246
  C      -6.136252      5.369658      5.024011
  C      -5.028319      4.528973      5.329527
  O      -4.954064      3.337832      4.783001
  C      -3.868998      4.835647      6.241458
  C      -7.135406      4.905837      4.129315
  C      -8.294336      5.623439      3.877871
  O      -9.220184      5.117406      3.038762
  C     -12.255108      6.013679      6.577647
  C     -10.971364      6.362695      7.302223
  O     -10.878227      7.473714      7.842626
  C      -9.846257      5.395620      7.387656
  C      -8.793463      5.754181      8.252152
  C      -7.668276      4.964051      8.428905
  O      -6.695985      5.381141      9.271315
  C      -7.544812      3.738262      7.697981
  C      -6.324595      2.959357      7.812495
  O      -5.398351      3.303856      8.600657
  C      -6.145595      1.694829      6.964513
  C      -8.600110      3.378100      6.834390
  C      -9.729289      4.170558      6.670971
  O     -10.656461      3.686523      5.783653
  H       0.569915     -0.609684     -1.490757
  H       0.159944     -0.873766     -3.224647
  H      -0.147950     -2.137146     -1.979601
  H      -3.902750      0.464074     -1.486265
  H      -5.818281      0.452654      1.526301
  H      -4.574502     -0.863509      5.100463
  H      -3.218366     -1.744790      4.331191
  H      -1.980336     -1.614120      2.581080
  H      -0.259643     -2.135951      1.352060
  H     -10.152733      8.837850      6.014893
  H      -9.127726      9.618957      4.791454
  H     -10.879329      9.395787      4.483134
  H      -7.646427      8.309782      5.915437
  H      -5.755479      7.847985      7.015826
  H      -3.378418      5.783956      5.950462
  H      -4.228238      4.991121      7.276831
  H      -7.009078      3.936306      3.648497
  H      -9.985674      5.791604      3.079218
  H     -12.119548      6.124312      5.484510
  H     -12.606467      4.994889      6.796006
  H     -13.023005      6.737152      6.876360
  H      -8.877854      6.696393      8.793897
  H      -5.992282      4.656235      9.215836
  H      -6.583969      1.863602      5.971771
  H      -6.739083      0.883419      7.432040
  H      -8.545471      2.471016      6.233086
  H     -11.222442      4.408128      5.458054
  N      -2.464056      2.852435      3.429443
  H      -1.924506      3.697180      3.631478
  H      -3.184300      3.121376      2.752547
  H      -1.848041      2.191506      2.950496
96
Coordinates from ORCA-job orca E -6661.776341306518
  N      -2.874101      0.324537      4.685691
  Mo     -3.592605      2.033126      5.420798
  N      -4.744261      1.299987      6.822780
  C      -4.146921      0.662953      7.999050
  C      -2.718730      0.262583      7.661810
  N      -2.064804      1.352671      6.868269
  C      -0.922657      0.823387      6.074487
  C      -1.465278      0.015855      4.871431
  C      -1.649935      2.481624      7.750522
  C      -1.706556      3.774076      6.941280
  N      -2.926459      3.716178      6.167799
  H      -0.861479      0.266031      3.977325
  H      -1.334052     -1.068387      5.035621
  H      -0.334299      1.684442      5.733068
  H      -0.270167      0.205239      6.717797
  H      -1.701331      4.637709      7.626752
  H      -0.816657      3.874730      6.289219
  H      -2.382952      2.550837      8.564654
  H      -0.655000      2.283318      8.182757
  H      -4.713141     -0.242851      8.288413
  H      -4.180309      1.345954      8.865338
  H      -2.719803     -0.635534      7.032172
  H      -2.128863      0.048897      8.569106
  C      -0.167990     -1.145349     -2.203065
  C      -1.504422     -0.475262     -1.989655
  O      -2.036993      0.138129     -2.917978
  C      -2.195005     -0.543785     -0.660180
  C      -3.435858      0.110050     -0.573860
  C      -4.194471      0.138760      0.594224
  O      -5.372398      0.793782      0.599863
  C      -3.694172     -0.500608      1.771135
  C      -4.442987     -0.394924      3.010958
  O      -5.573959      0.161198      3.056404
  C      -3.788995     -0.761574      4.337915
  C      -2.448818     -1.166133      1.680881
  C      -1.710197     -1.204192      0.504769
  O      -0.510674     -1.873642      0.459172
  C      -9.989995      8.942582      4.931897
  C      -9.758401      7.592373      4.305212
  O     -10.675379      7.087871      3.590033
  C      -8.519065      6.879050      4.531412
  C      -7.505641      7.364572      5.394619
  C      -6.352729      6.649549      5.650174
  O      -5.388721      7.114327      6.515853
  C      -6.136915      5.375445      5.033493
  C      -5.027495      4.533727      5.339940
  O      -4.957867      3.341175      4.798633
  C      -3.865234      4.836377      6.252706
  C      -7.136781      4.901865      4.145051
  C      -8.298244      5.615445      3.890583
  O      -9.221622      5.098556      3.054170
  C     -12.267420      5.968515      6.550233
  C     -10.991216      6.332014      7.281110
  O     -10.908923      7.447639      7.814134
  C      -9.859257      5.372296      7.375564
  C      -8.810153      5.743818      8.241019
  C      -7.680799      4.961669      8.427900
  O      -6.714830      5.390347      9.274145
  C      -7.547161      3.731082      7.705879
  C      -6.322240      2.961681      7.828137
  O      -5.393989      3.323916      8.607040
  C      -6.136273      1.688347      6.992627
  C      -8.597069      3.358549      6.840746
  C      -9.731231      4.142311      6.667429
  O     -10.652297      3.644094      5.781506
  H       0.581606     -0.763864     -1.494723
  H       0.155219     -0.958777     -3.233594
  H      -0.240473     -2.227382     -2.019376
  H      -3.809627      0.612325     -1.467266
  H      -5.737650      0.665727      1.535499
  H      -4.601648     -0.843629      5.080857
  H      -3.256683     -1.726517      4.293064
  H      -2.052776     -1.684460      2.557921
  H      -0.367498     -2.298057      1.324074
  H     -10.138583      8.838229      6.019636
  H      -9.135917      9.617351      4.772862
  H     -10.892541      9.385712      4.495605
  H      -7.654361      8.317695      5.908451
  H      -5.761295      7.864262      7.014390
  H      -3.384603      5.793736      5.980110
  H      -4.223957      4.964716      7.292247
  H      -7.009597      3.928587      3.671037
  H      -9.985543      5.774817      3.079513
  H     -12.120666      6.063582      5.456675
  H     -12.616615      4.951864      6.783358
  H     -13.041450      6.692803      6.831555
  H      -8.901249      6.689333      8.776257
  H      -6.003823      4.672631      9.222263
  H      -6.583032      1.837700      6.000650
  H      -6.717152      0.877552      7.476052
  H      -8.534674      2.447557      6.245637
  H     -11.222292      4.359095      5.448538
  N      -2.480576      2.844633      3.417807
  H      -1.940541      3.692368      3.605073
  H      -3.216620      3.105291      2.754863
  H      -1.872870      2.181093      2.932134
96
Coordinates from ORCA-job orca E -6661.777437703448
  N      -2.878617      0.337784      4.697696
  Mo     -3.596519      2.045123      5.420368
  N      -4.733320      1.314973      6.831205
  C      -4.127461      0.683349      8.009078
  C      -2.700780      0.282500      7.661482
  N      -2.052828      1.370107      6.858109
  C      -0.918477      0.835420      6.054480
  C      -1.476458      0.000002      4.879718
  C      -1.632867      2.502880      7.732759
  C      -1.694829      3.794292      6.921851
  N      -2.917458      3.732483      6.150658
  H      -0.872182      0.207035      3.975399
  H      -1.372510     -1.081478      5.078696
  H      -0.344258      1.695037      5.687029
  H      -0.251039      0.231693      6.695610
  H      -1.692400      4.659170      7.605145
  H      -0.808120      3.896306      6.266677
  H      -2.361230      2.572767      8.550903
  H      -0.635076      2.306559      8.159440
  H      -4.690159     -0.220204      8.309519
  H      -4.155144      1.373646      8.869523
  H      -2.712514     -0.615736      7.032513
  H      -2.102969      0.069173      8.563276
  C      -0.180085     -1.311993     -2.214257
  C      -1.445940     -0.518753     -1.987923
  O      -1.907690      0.169106     -2.902668
  C      -2.150124     -0.553803     -0.666109
  C      -3.324053      0.214268     -0.569963
  C      -4.086227      0.286132      0.592564
  O      -5.194825      1.055128      0.608173
  C      -3.663240     -0.429306      1.757581
  C      -4.413425     -0.283228      2.990051
  O      -5.483196      0.386145      3.042587
  C      -3.809508     -0.721352      4.315190
  C      -2.483901     -1.205837      1.657815
  C      -1.741877     -1.284742      0.486169
  O      -0.609895     -2.062845      0.430505
  C     -10.019257      8.922734      4.960976
  C      -9.782065      7.579576      4.321271
  O     -10.693133      7.075939      3.599818
  C      -8.537532      6.873085      4.544361
  C      -7.531269      7.362753      5.410612
  C      -6.373150      6.656698      5.664428
  O      -5.415838      7.125328      6.534910
  C      -6.145768      5.387520      5.041831
  C      -5.032531      4.547767      5.345450
  O      -4.965013      3.357700      4.802303
  C      -3.868381      4.845427      6.260031
  C      -7.140028      4.907077      4.151253
  C      -8.306757      5.613662      3.897986
  O      -9.224170      5.091278      3.058176
  C     -12.282549      5.935264      6.544187
  C     -11.017170      6.303231      7.291485
  O     -10.951204      7.412509      7.838503
  C      -9.876151      5.353078      7.383802
  C      -8.833733      5.728573      8.256678
  C      -7.698349      4.954671      8.444645
  O      -6.738967      5.387034      9.298604
  C      -7.551532      3.728051      7.716823
  C      -6.322293      2.967073      7.839745
  O      -5.396870      3.333831      8.621093
  C      -6.128777      1.692569      7.007364
  C      -8.594912      3.352041      6.844603
  C      -9.733674      4.127925      6.669007
  O     -10.645848      3.625269      5.776712
  H       0.599683     -1.023121     -1.494900
  H       0.165610     -1.132180     -3.238646
  H      -0.359563     -2.385802     -2.059345
  H      -3.640104      0.773210     -1.451788
  H      -5.575643      0.944330      1.541128
  H      -4.637441     -0.796166      5.042129
  H      -3.304521     -1.699132      4.255869
  H      -2.143532     -1.780371      2.523414
  H      -0.515958     -2.521879      1.284480
  H     -10.160943      8.804151      6.049195
  H      -9.170321      9.603890      4.802683
  H     -10.927706      9.363058      4.534353
  H      -7.689633      8.311700      5.928860
  H      -5.796377      7.869605      7.036003
  H      -3.396834      5.811095      6.005939
  H      -4.226130      4.944142      7.302968
  H      -7.005073      3.935965      3.675078
  H      -9.988901      5.767326      3.079508
  H     -12.123439      6.038769      5.453336
  H     -12.624149      4.914328      6.769657
  H     -13.067035      6.649634      6.821102
  H      -8.934385      6.670100      8.797170
  H      -6.018684      4.676844      9.239670
  H      -6.580852      1.830524      6.016678
  H      -6.698138      0.879352      7.499969
  H      -8.523483      2.444465      6.246229
  H     -11.223005      4.336861      5.449834
  N      -2.499596      2.850341      3.395786
  H      -1.959222      3.701205      3.566958
  H      -3.249179      3.102316      2.744725
  H      -1.899067      2.184958      2.903586
96
Coordinates from ORCA-job orca E -6661.778784758176
  N      -2.885341      0.338354      4.713653
  Mo     -3.608142      2.048077      5.413346
  N      -4.725429      1.326197      6.841963
  C      -4.105985      0.706920      8.021731
  C      -2.681185      0.306242      7.663793
  N      -2.043211      1.386788      6.842473
  C      -0.918213      0.844237      6.029916
  C      -1.490532     -0.022858      4.889037
  C      -1.617849      2.527353      7.703432
  C      -1.690223      3.813985      6.886551
  N      -2.918381      3.745326      6.124746
  H      -0.890831      0.142226      3.973479
  H      -1.407293     -1.099265      5.123815
  H      -0.361803      1.702182      5.632685
  H      -0.234413      0.260084      6.671152
  H      -1.686603      4.683185      7.563626
  H      -0.809656      3.913451      6.223603
  H      -2.340276      2.596983      8.526548
  H      -0.615945      2.334611      8.122062
  H      -4.664151     -0.193317      8.337502
  H      -4.128109      1.409871      8.871578
  H      -2.698683     -0.597166      7.043375
  H      -2.072168      0.104884      8.560343
  C      -0.199643     -1.460934     -2.217636
  C      -1.371006     -0.539414     -1.968342
  O      -1.737497      0.233757     -2.858272
  C      -2.093084     -0.547878     -0.658551
  C      -3.175786      0.342530     -0.540788
  C      -3.941045      0.449273      0.615139
  O      -4.957792      1.337562      0.654771
  C      -3.619105     -0.357343      1.754758
  C      -4.367123     -0.176718      2.979360
  O      -5.348704      0.620253      3.051148
  C      -3.831944     -0.693338      4.300659
  C      -2.529380     -1.252912      1.633216
  C      -1.786025     -1.364444      0.466794
  O      -0.743627     -2.258513      0.386167
  C     -10.037845      8.910941      4.988547
  C      -9.803609      7.573643      4.336540
  O     -10.714829      7.074756      3.613465
  C      -8.557638      6.866789      4.553201
  C      -7.554563      7.357928      5.419056
  C      -6.394237      6.656700      5.668133
  O      -5.438896      7.126574      6.538895
  C      -6.162872      5.390339      5.042092
  C      -5.046545      4.552693      5.342622
  O      -4.983917      3.364448      4.799683
  C      -3.878453      4.850456      6.251784
  C      -7.154905      4.905117      4.152340
  C      -8.324767      5.609302      3.902658
  O      -9.241853      5.085216      3.064392
  C     -12.300984      5.898786      6.547373
  C     -11.041375      6.273008      7.301298
  O     -10.986057      7.379035      7.852715
  C      -9.892090      5.332285      7.393202
  C      -8.853692      5.714434      8.267584
  C      -7.712816      4.947558      8.455934
  O      -6.754442      5.384690      9.309501
  C      -7.558077      3.721064      7.728588
  C      -6.325376      2.967862      7.852670
  O      -5.400705      3.344896      8.630870
  C      -6.122443      1.692875      7.026875
  C      -8.598971      3.339129      6.854949
  C      -9.740192      4.109116      6.677373
  O     -10.645967      3.602326      5.781376
  H       0.599368     -1.290844     -1.482268
  H       0.175445     -1.278871     -3.230971
  H      -0.499458     -2.512933     -2.109556
  H      -3.415176      0.969328     -1.400345
  H      -5.362724      1.225988      1.580232
  H      -4.678546     -0.746560      5.007899
  H      -3.362527     -1.687115      4.237035
  H      -2.261848     -1.894960      2.476321
  H      -0.712599     -2.760284      1.220767
  H     -10.171131      8.780008      6.076903
  H      -9.191132      9.593335      4.829577
  H     -10.950570      9.352922      4.573430
  H      -7.716094      8.303825      5.940232
  H      -5.821970      7.870686      7.037920
  H      -3.414724      5.821226      6.004776
  H      -4.230285      4.928195      7.298155
  H      -7.016658      3.935414      3.675567
  H     -10.005422      5.764919      3.088230
  H     -12.136664      6.002433      5.458074
  H     -12.635449      4.875915      6.773691
  H     -13.092823      6.606338      6.818669
  H      -8.960681      6.654635      8.808794
  H      -6.029098      4.675520      9.245156
  H      -6.580845      1.816835      6.037850
  H      -6.677126      0.876793      7.531774
  H      -8.522454      2.432444      6.257653
  H     -11.229170      4.312132      5.461892
  N      -2.536898      2.838577      3.360189
  H      -1.995466      3.693607      3.505694
  H      -3.300314      3.078191      2.720232
  H      -1.944405      2.169083      2.863013
96
Coordinates from ORCA-job orca E -6661.780187146634
  N      -2.855250      0.335929      4.759585
  Mo     -3.602375      2.046973      5.425462
  N      -4.705923      1.333066      6.871068
  C      -4.075595      0.734744      8.056536
  C      -2.649672      0.338739      7.699190
  N      -2.022125      1.411297      6.860583
  C      -0.897394      0.865923      6.050531
  C      -1.467145     -0.033318      4.938527
  C      -1.603198      2.563526      7.707682
  C      -1.686895      3.841410      6.880627
  N      -2.915057      3.761462      6.122522
  H      -0.868359      0.100834      4.017354
  H      -1.391648     -1.103418      5.204925
  H      -0.360619      1.725076      5.629272
  H      -0.200454      0.307505      6.699742
  H      -1.686944      4.717112      7.548837
  H      -0.808306      3.938026      6.214899
  H      -2.326028      2.630029      8.530306
  H      -0.599361      2.378583      8.125200
  H      -4.628557     -0.163249      8.386018
  H      -4.100904      1.453690      8.892126
  H      -2.659706     -0.573430      7.092817
  H      -2.033529      0.159922      8.595290
  C      -0.344902     -1.587902     -2.290526
  C      -1.376171     -0.530919     -1.971963
  O      -1.633659      0.336927     -2.811879
  C      -2.087641     -0.517593     -0.659929
  C      -3.037582      0.503941     -0.475105
  C      -3.775035      0.640285      0.693501
  O      -4.655515      1.659975      0.806356
  C      -3.564369     -0.273776      1.779619
  C      -4.278923     -0.070418      3.013941
  O      -5.153096      0.845087      3.142942
  C      -3.809960     -0.675782      4.317122
  C      -2.604852     -1.297592      1.590695
  C      -1.890860     -1.433526      0.411404
  O      -0.976124     -2.451621      0.260078
  C     -10.035173      8.902005      4.994766
  C      -9.802118      7.568805      4.335930
  O     -10.711027      7.076571      3.606386
  C      -8.557922      6.857666      4.551887
  C      -7.559054      7.349279      5.420086
  C      -6.399638      6.649590      5.668645
  O      -5.447040      7.119282      6.540860
  C      -6.166800      5.384271      5.042342
  C      -5.048578      4.550190      5.347026
  O      -4.987793      3.362947      4.807740
  C      -3.883464      4.855792      6.252268
  C      -7.154770      4.896074      4.150923
  C      -8.325015      5.600707      3.900134
  O      -9.242206      5.078340      3.062837
  C     -12.322584      5.833131      6.488330
  C     -11.074783      6.217371      7.256892
  O     -11.034174      7.322842      7.806120
  C      -9.916906      5.288682      7.363404
  C      -8.890537      5.683817      8.243752
  C      -7.743741      4.927337      8.442722
  O      -6.791149      5.373674      9.296679
  C      -7.573883      3.698864      7.722970
  C      -6.335154      2.959999      7.861467
  O      -5.423853      3.356687      8.645609
  C      -6.105908      1.683287      7.052463
  C      -8.605999      3.303632      6.843976
  C      -9.749677      4.064788      6.654334
  O     -10.643603      3.548964      5.751977
  H       0.474967     -1.573818     -1.559309
  H       0.043960     -1.396226     -3.296523
  H      -0.784003     -2.593763     -2.240426
  H      -3.190888      1.210267     -1.290834
  H      -5.062449      1.542826      1.734417
  H      -4.670452     -0.707890      5.008707
  H      -3.374565     -1.683185      4.247761
  H      -2.420367     -2.020896      2.388211
  H      -1.008798     -3.002414      1.063444
  H     -10.168596      8.763048      6.081637
  H      -9.188285      9.583203      4.840403
  H     -10.947879      9.346826      4.583376
  H      -7.721413      8.293420      5.941812
  H      -5.831097      7.867184      7.032752
  H      -3.427347      5.830239      6.004277
  H      -4.233254      4.922568      7.299857
  H      -7.013630      3.927095      3.675583
  H     -10.004882      5.762264      3.092043
  H     -12.146648      5.932695      5.401545
  H     -12.650991      4.808783      6.715381
  H     -13.123740      6.534507      6.745058
  H      -9.009563      6.625315      8.779673
  H      -6.060182      4.664675      9.233543
  H      -6.562189      1.786574      6.060495
  H      -6.645268      0.862827      7.568261
  H      -8.518539      2.395237      6.252698
  H     -11.232934      4.255140      5.435122
  N      -2.553221      2.818025      3.347190
  H      -2.015684      3.680397      3.461920
  H      -3.325900      3.037273      2.710209
  H      -1.961623      2.144677      2.852973
96
Coordinates from ORCA-job orca E -6661.781969372462
  N      -2.785494      0.314739      4.841377
  Mo     -3.568337      2.031359      5.455723
  N      -4.674390      1.331150      6.911200
  C      -4.044935      0.760606      8.108830
  C      -2.614081      0.369414      7.770142
  N      -1.990037      1.432300      6.919918
  C      -0.853014      0.888874      6.129460
  C      -1.402733     -0.047044      5.042063
  C      -1.589607      2.599061      7.754165
  C      -1.676888      3.862258      6.908902
  N      -2.895673      3.767245      6.141066
  H      -0.796007      0.059248      4.122154
  H      -1.325850     -1.107740      5.344401
  H      -0.334767      1.749555      5.687920
  H      -0.147825      0.363821      6.796833
  H      -1.687625      4.747499      7.564325
  H      -0.792063      3.953986      6.250380
  H      -2.321521      2.667275      8.568217
  H      -0.588499      2.425567      8.182809
  H      -4.596055     -0.134752      8.448698
  H      -4.082597      1.496971      8.928116
  H      -2.606130     -0.553961      7.181907
  H      -2.002077      0.217458      8.673912
  C      -0.595757     -1.556107     -2.403664
  C      -1.524958     -0.438307     -1.994361
  O      -1.733420      0.492273     -2.779669
  C      -2.190249     -0.439994     -0.662111
  C      -3.051123      0.639191     -0.386667
  C      -3.736547      0.761213      0.812608
  O      -4.541859      1.830567      1.013592
  C      -3.556871     -0.224504      1.842997
  C      -4.196408     -0.029150      3.111519
  O      -4.963437      0.970961      3.338352
  C      -3.736611     -0.697357      4.382453
  C      -2.689150     -1.307579      1.560845
  C      -2.031677     -1.427143      0.349706
  O      -1.201836     -2.499523      0.105452
  C     -10.005630      8.885181      4.950253
  C      -9.755665      7.560440      4.282936
  O     -10.647271      7.077789      3.527187
  C      -8.515977      6.844508      4.514733
  C      -7.528538      7.331286      5.398902
  C      -6.373446      6.628363      5.657450
  O      -5.430910      7.091099      6.542658
  C      -6.137224      5.365707      5.029413
  C      -5.021268      4.532610      5.349394
  O      -4.958151      3.345435      4.818985
  C      -3.869695      4.850286      6.258374
  C      -7.113590      4.881989      4.124887
  C      -8.278949      5.590576      3.861728
  O      -9.190493      5.075301      3.016065
  C     -12.325589      5.762194      6.364422
  C     -11.096480      6.154430      7.159103
  O     -11.074534      7.257855      7.710091
  C      -9.933177      5.236032      7.291523
  C      -8.929813      5.642919      8.188522
  C      -7.779306      4.898222      8.409944
  O      -6.845860      5.355791      9.274728
  C      -7.585196      3.669486      7.697970
  C      -6.340990      2.944122      7.862383
  O      -5.454308      3.355466      8.665359
  C      -6.078256      1.665928      7.073180
  C      -8.598223      3.261145      6.803251
  C      -9.743616      4.012375      6.590537
  O     -10.617297      3.488160      5.673566
  H       0.245849     -1.649248     -1.704137
  H      -0.226192     -1.339385     -3.411488
  H      -1.112926     -2.524922     -2.390166
  H      -3.178012      1.398668     -1.157269
  H      -4.948322      1.667726      1.938396
  H      -4.593362     -0.728629      5.078852
  H      -3.311538     -1.707228      4.302375
  H      -2.529752     -2.084595      2.310843
  H      -1.247472     -3.089953      0.879459
  H     -10.160876      8.732919      6.030649
  H      -9.158456      9.569498      4.821244
  H     -10.911406      9.331907      4.526603
  H      -7.694320      8.272899      5.922112
  H      -5.816808      7.842599      7.026756
  H      -3.420528      5.827931      6.007020
  H      -4.227133      4.915876      7.303745
  H      -6.967434      3.914580      3.649838
  H      -9.954229      5.758962      3.048708
  H     -12.128692      5.859602      5.282015
  H     -12.652732      4.736576      6.586069
  H     -13.135715      6.459534      6.600979
  H      -9.067544      6.585015      8.718338
  H      -6.106131      4.651712      9.223053
  H      -6.522424      1.750147      6.073751
  H      -6.609945      0.842505      7.593707
  H      -8.492436      2.351437      6.217822
  H     -11.210787      4.189298      5.352296
  N      -2.517307      2.773259      3.371090
  H      -1.984376      3.641746      3.459621
  H      -3.286605      2.970636      2.722303
  H      -1.918569      2.093778      2.893439
96
Coordinates from ORCA-job orca E -6661.784452602674
  N      -2.645726      0.284301      4.966742
  Mo     -3.489738      2.007744      5.513125
  N      -4.622810      1.318820      6.967623
  C      -4.008716      0.788081      8.183345
  C      -2.567662      0.408046      7.890506
  N      -1.939905      1.462501      7.040118
  C      -0.770477      0.936306      6.295116
  C      -1.266814     -0.035824      5.217229
  C      -1.579266      2.646265      7.866037
  C      -1.663547      3.887748      6.995607
  N      -2.857867      3.772898      6.199487
  H      -0.637077      0.060006      4.310388
  H      -1.166967     -1.084460      5.553798
  H      -0.268618      1.803996      5.846514
  H      -0.067018      0.454945      6.996588
  H      -1.696258      4.783838      7.636627
  H      -0.760556      3.977696      6.359744
  H      -2.332316      2.716979      8.660187
  H      -0.587620      2.490779      8.322448
  H      -4.560543     -0.107459      8.525985
  H      -4.074794      1.541864      8.984700
  H      -2.519862     -0.528586      7.326064
  H      -1.976512      0.290830      8.813761
  C      -1.024640     -1.384463     -2.574786
  C      -1.904174     -0.275159     -2.052771
  O      -2.163516      0.685681     -2.786032
  C      -2.456075     -0.324041     -0.674751
  C      -3.285400      0.744101     -0.281310
  C      -3.864843      0.812703      0.974682
  O      -4.660367      1.864646      1.289895
  C      -3.592930     -0.214257      1.946188
  C      -4.100106     -0.071274      3.269585
  O      -4.817723      0.944857      3.631534
  C      -3.572681     -0.759894      4.500045
  C      -2.762991     -1.289635      1.543060
  C      -2.217646     -1.354285      0.275626
  O      -1.416912     -2.415545     -0.087212
  C      -9.917874      8.893090      4.881365
  C      -9.639638      7.577638      4.210182
  O     -10.507290      7.108530      3.418845
  C      -8.410541      6.849165      4.467407
  C      -7.432823      7.319332      5.376811
  C      -6.289004      6.599396      5.649718
  O      -5.355560      7.040890      6.553823
  C      -6.059886      5.340172      5.016536
  C      -4.952657      4.502736      5.362186
  O      -4.879802      3.316498      4.842701
  C      -3.832623      4.838678      6.283764
  C      -7.024303      4.877773      4.091729
  C      -8.176250      5.600331      3.811467
  O      -9.084317      5.105461      2.953134
  C     -12.321512      5.639343      6.119068
  C     -11.120004      6.048707      6.947465
  O     -11.120827      7.157038      7.486722
  C      -9.952917      5.143958      7.129098
  C      -8.988702      5.571431      8.050701
  C      -7.836888      4.844479      8.315622
  O      -6.940611      5.320887      9.198711
  C      -7.604795      3.614056      7.623260
  C      -6.352150      2.910656      7.837599
  O      -5.509145      3.351949      8.666225
  C      -6.031987      1.631047      7.082387
  C      -8.582920      3.182117      6.703796
  C      -9.730298      3.917519      6.448446
  O     -10.571438      3.379687      5.509203
  H      -0.129990     -1.512746     -1.950848
  H      -0.737522     -1.130954     -3.600449
  H      -1.547886     -2.349931     -2.553738
  H      -3.476577      1.533419     -1.006943
  H      -5.013099      1.636668      2.225395
  H      -4.409080     -0.813272      5.220060
  H      -3.121011     -1.757487      4.418988
  H      -2.541794     -2.094767      2.244927
  H      -1.395676     -3.036782      0.662915
  H     -10.110476      8.731055      5.949981
  H      -9.070750      9.582239      4.790983
  H     -10.809995      9.341782      4.432333
  H      -7.594595      8.258713      5.904014
  H      -5.735782      7.797590      7.033200
  H      -3.391705      5.821109      6.026479
  H      -4.211873      4.916680      7.321953
  H      -6.878925      3.912328      3.614336
  H      -9.849848      5.785090      2.992713
  H     -12.094619      5.722676      5.042153
  H     -12.653512      4.615026      6.338813
  H     -13.138958      6.338859      6.320663
  H      -9.156297      6.517276      8.564537
  H      -6.191030      4.626772      9.179606
  H      -6.447878      1.691036      6.067752
  H      -6.562314      0.803783      7.600612
  H      -8.446055      2.267529      6.131241
  H     -11.164413      4.072639      5.166395
  N      -2.399307      2.720955      3.457621
  H      -1.872535      3.594814      3.532530
  H      -3.141506      2.897509      2.771486
  H      -1.779301      2.036060      3.015964
96
Coordinates from ORCA-job orca E -6661.788698485102
  N      -2.570739      0.281900      5.040719
  Mo     -3.443019      2.004762      5.559428
  N      -4.588188      1.316971      7.009549
  C      -3.985050      0.804886      8.234763
  C      -2.538706      0.431226      7.963745
  N      -1.906341      1.483686      7.115781
  C      -0.720235      0.965432      6.393019
  C      -1.195137     -0.028600      5.323281
  C      -1.560393      2.675858      7.938270
  C      -1.639003      3.904114      7.050760
  N      -2.823904      3.778920      6.238820
  H      -0.546315      0.050272      4.427128
  H      -1.097078     -1.068594      5.685998
  H      -0.224775      1.833177      5.936784
  H      -0.014608      0.504204      7.106685
  H      -1.681055      4.806830      7.683322
  H      -0.728213      3.992684      6.424916
  H      -2.320255      2.759785      8.725533
  H      -0.573396      2.531584      8.408801
  H      -4.534393     -0.092656      8.579823
  H      -4.063151      1.561959      9.033603
  H      -2.480867     -0.510497      7.407119
  H      -1.962155      0.319702      8.897823
  C      -1.311731     -1.361197     -2.689674
  C      -2.105772     -0.220569     -2.097528
  O      -2.343204      0.775834     -2.793597
  C      -2.597152     -0.280454     -0.697802
  C      -3.349148      0.822378     -0.239207
  C      -3.868429      0.894101      1.041971
  O      -4.584966      1.988616      1.414849
  C      -3.612608     -0.171854      1.977604
  C      -4.044429     -0.047469      3.323308
  O      -4.675098      1.011032      3.764814
  C      -3.483330     -0.759472      4.523786
  C      -2.860156     -1.282463      1.512754
  C      -2.373757     -1.347271      0.218789
  O      -1.651136     -2.444163     -0.194035
  C      -9.891273      8.899383      4.855736
  C      -9.592543      7.584091      4.191620
  O     -10.450112      7.104098      3.396684
  C      -8.361410      6.861485      4.463749
  C      -7.388378      7.330924      5.382978
  C      -6.244317      6.607118      5.668724
  O      -5.318526      7.046219      6.583132
  C      -6.014063      5.347540      5.036598
  C      -4.908261      4.503087      5.392132
  O      -4.829770      3.316594      4.880920
  C      -3.797591      4.843018      6.317964
  C      -6.973330      4.891614      4.105556
  C      -8.121869      5.613728      3.812277
  O      -9.020491      5.116218      2.943650
  C     -12.321835      5.516043      5.947030
  C     -11.145344      5.957317      6.794666
  O     -11.173486      7.075741      7.317226
  C      -9.968580      5.068985      7.013944
  C      -9.033431      5.523027      7.951827
  C      -7.877581      4.819042      8.256711
  O      -7.020291      5.327682      9.156503
  C      -7.610665      3.583261      7.586912
  C      -6.351160      2.895813      7.837322
  O      -5.527722      3.357333      8.672042
  C      -6.003934      1.610655      7.098701
  C      -8.556492      3.123700      6.650801
  C      -9.711414      3.836516      6.354778
  O     -10.520560      3.275050      5.401093
  H      -0.397558     -1.555001     -2.111299
  H      -1.057241     -1.095197     -3.721595
  H      -1.886719     -2.297962     -2.669712
  H      -3.525966      1.640522     -0.937645
  H      -4.912851      1.773601      2.357550
  H      -4.320526     -0.848024      5.241081
  H      -3.009049     -1.745061      4.419435
  H      -2.654209     -2.112654      2.192301
  H      -1.633340     -3.082565      0.540995
  H     -10.090144      8.740092      5.923313
  H      -9.050683      9.600326      4.768506
  H     -10.785144      9.336260      4.397984
  H      -7.554403      8.272473      5.909343
  H      -5.698167      7.803824      7.062823
  H      -3.365175      5.830478      6.067584
  H      -4.188472      4.922873      7.353712
  H      -6.825319      3.924542      3.628862
  H      -9.788053      5.787885      2.957957
  H     -12.069056      5.582092      4.873063
  H     -12.651099      4.492161      6.177114
  H     -13.149665      6.213327      6.118610
  H      -9.228311      6.473328      8.448361
  H      -6.256365      4.657977      9.176066
  H      -6.410627      1.654140      6.078040
  H      -6.533914      0.785089      7.618864
  H      -8.388787      2.201841      6.093809
  H     -11.115734      3.951214      5.028988
  N      -2.321488      2.715489      3.531960
  H      -1.801114      3.592801      3.611734
  H      -3.050084      2.883447      2.828376
  H      -1.690154      2.029728      3.109981
96
Coordinates from ORCA-job orca E -6661.793322138250
  N      -2.446035      0.269742      5.145860
  Mo     -3.355295      1.987273      5.631965
  N      -4.531527      1.293590      7.060770
  C      -3.957721      0.786975      8.301137
  C      -2.501741      0.423652      8.066675
  N      -1.852925      1.482088      7.235033
  C      -0.637092      0.975748      6.546907
  C      -1.071788     -0.023987      5.461669
  C      -1.534643      2.679249      8.067451
  C      -1.594606      3.899091      7.166574
  N      -2.765108      3.762966      6.327669
  H      -0.397142      0.067659      4.585031
  H      -0.965684     -1.063215      5.827069
  H      -0.137085      1.847023      6.102613
  H       0.056949      0.522934      7.277870
  H      -1.649105      4.807628      7.791052
  H      -0.671292      3.987027      6.559451
  H      -2.312898      2.770662      8.837154
  H      -0.559398      2.545574      8.565709
  H      -4.505945     -0.116733      8.634308
  H      -4.056656      1.536605      9.107012
  H      -2.424130     -0.520839      7.515391
  H      -1.954945      0.314967      9.019616
  C      -1.827964     -1.180151     -2.826571
  C      -2.520574     -0.040429     -2.110933
  O      -2.783671      0.996058     -2.740140
  C      -2.885176     -0.144691     -0.673858
  C      -3.547851      0.972626     -0.111321
  C      -3.950140      1.025568      1.211230
  O      -4.570097      2.146320      1.682746
  C      -3.663337     -0.080342      2.086641
  C      -3.977307     -0.000302      3.462394
  O      -4.561212      1.066674      3.991468
  C      -3.343775     -0.758825      4.595414
  C      -3.001815     -1.208029      1.524368
  C      -2.627490     -1.253486      0.188015
  O      -1.991782     -2.369279     -0.304509
  C      -9.858601      8.833605      4.681396
  C      -9.524590      7.509834      4.048095
  O     -10.354260      7.003567      3.239469
  C      -8.293163      6.809900      4.371347
  C      -7.354904      7.304710      5.314117
  C      -6.209031      6.599817      5.653356
  O      -5.322977      7.072706      6.592723
  C      -5.942323      5.329689      5.049123
  C      -4.836421      4.490519      5.438211
  O      -4.734216      3.299750      4.937295
  C      -3.735838      4.838205      6.379216
  C      -6.868180      4.853209      4.095643
  C      -8.015167      5.554279      3.749959
  O      -8.870357      5.025926      2.852878
  C     -12.262022      5.387161      5.698592
  C     -11.125023      5.857769      6.581031
  O     -11.190301      6.985360      7.087111
  C      -9.942538      4.983738      6.854156
  C      -9.047454      5.463694      7.822618
  C      -7.891732      4.782397      8.180882
  O      -7.080533      5.325352      9.106274
  C      -7.585254      3.542218      7.536088
  C      -6.324727      2.867945      7.837179
  O      -5.533057      3.338365      8.695946
  C      -5.952800      1.576715      7.108419
  C      -8.485365      3.054954      6.572991
  C      -9.642219      3.743988      6.219508
  O     -10.401566      3.153886      5.242834
  H      -0.871128     -1.430570     -2.345512
  H      -1.659743     -0.878074     -3.867403
  H      -2.435142     -2.097283     -2.792421
  H      -3.745399      1.823000     -0.766737
  H      -4.810581      1.939947      2.641212
  H      -4.164811     -0.898021      5.326037
  H      -2.845879     -1.726180      4.430138
  H      -2.781375     -2.065890      2.167635
  H      -1.939103     -3.026606      0.411827
  H     -10.087893      8.691852      5.748426
  H      -9.022580      9.546689      4.607502
  H     -10.742940      9.251696      4.187913
  H      -7.551674      8.255394      5.818859
  H      -5.726269      7.838105      7.042338
  H      -3.302246      5.823738      6.129750
  H      -4.148554      4.939817      7.405901
  H      -6.691928      3.880102      3.634899
  H      -9.643099      5.683632      2.807021
  H     -11.967226      5.445436      4.632371
  H     -12.588173      4.360832      5.926792
  H     -13.103850      6.077978      5.834086
  H      -9.274564      6.417931      8.299115
  H      -6.307443      4.681322      9.178209
  H      -6.337219      1.617947      6.078850
  H      -6.497930      0.752790      7.613665
  H      -8.279657      2.126455      6.036385
  H     -10.995555      3.806412      4.831576
  N      -2.168876      2.713482      3.660432
  H      -1.657335      3.593080      3.768600
  H      -2.871838      2.878786      2.928341
  H      -1.519107      2.028531      3.267939
96
Coordinates from ORCA-job orca E -6661.791737791195
  N      -2.411802      0.378715      5.097653
  Mo     -3.347097      2.069029      5.639558
  N      -4.534183      1.305723      7.016444
  C      -3.986302      0.740925      8.247674
  C      -2.520006      0.403480      8.020963
  N      -1.867246      1.509981      7.251690
  C      -0.629190      1.045744      6.567974
  C      -1.035790      0.085476      5.434723
  C      -1.573670      2.671749      8.144261
  C      -1.617784      3.925647      7.287501
  N      -2.779116      3.807326      6.421250
  H      -0.339298      0.216271      4.581285
  H      -0.928819     -0.965832      5.764678
  H      -0.124937      1.934548      6.167209
  H       0.057205      0.563650      7.286890
  H      -1.688425      4.812515      7.940080
  H      -0.687388      4.042015      6.698480
  H      -2.366403      2.736124      8.902479
  H      -0.608032      2.528617      8.658816
  H      -4.525244     -0.183673      8.533490
  H      -4.101615      1.442388      9.095112
  H      -2.434144     -0.513525      7.425675
  H      -1.996270      0.245905      8.979789
  C      -1.834596     -1.497568     -2.923540
  C      -2.561974     -0.342228     -2.263712
  O      -2.886547      0.639827     -2.950033
  C      -2.888431     -0.369358     -0.812520
  C      -3.585421      0.760177     -0.312056
  C      -3.962756      0.898213      1.010259
  O      -4.603776      2.036386      1.412281
  C      -3.621567     -0.125723      1.956944
  C      -3.926882      0.029566      3.329694
  O      -4.588753      1.097926      3.770008
  C      -3.250218     -0.655362      4.486139
  C      -2.926182     -1.267024      1.461164
  C      -2.568500     -1.402810      0.121606
  O      -1.901377     -2.529001     -0.291947
  C      -9.899753      8.891307      4.764399
  C      -9.547997      7.585689      4.098226
  O     -10.358040      7.089485      3.265604
  C      -8.315956      6.896859      4.439678
  C      -7.416819      7.380441      5.420692
  C      -6.271351      6.687494      5.785625
  O      -5.428880      7.157787      6.766755
  C      -5.960489      5.434273      5.161999
  C      -4.853717      4.589426      5.542368
  O      -4.728942      3.415524      5.004080
  C      -3.749692      4.898393      6.509142
  C      -6.849653      4.966082      4.169181
  C      -7.995508      5.657227      3.800406
  O      -8.800118      5.126883      2.855067
  C     -12.243337      5.410015      5.686645
  C     -11.134314      5.858103      6.611543
  O     -11.222585      6.966936      7.156992
  C      -9.950913      4.976766      6.872802
  C      -9.075839      5.422541      7.883888
  C      -7.922776      4.733677      8.241398
  O      -7.136032      5.253322      9.211243
  C      -7.597245      3.520967      7.553549
  C      -6.337687      2.836312      7.850350
  O      -5.556437      3.265210      8.738635
  C      -5.961593      1.573877      7.055083
  C      -8.470455      3.068463      6.551251
  C      -9.625002      3.762979      6.193255
  O     -10.347361      3.201626      5.174998
  H      -0.856236     -1.669297     -2.449989
  H      -1.701300     -1.265495     -3.987777
  H      -2.402559     -2.434061     -2.812450
  H      -3.826298      1.554912     -1.022042
  H      -4.797563      1.920818      2.382906
  H      -4.074907     -0.893887      5.191190
  H      -2.678571     -1.574673      4.283459
  H      -2.669487     -2.065747      2.166351
  H      -1.809531     -3.128036      0.470213
  H     -10.146931      8.714644      5.827239
  H      -9.065231      9.612111      4.724400
  H     -10.777653      9.318062      4.265813
  H      -7.649173      8.317515      5.939162
  H      -5.858918      7.909025      7.216905
  H      -3.313199      5.891084      6.305970
  H      -4.172510      4.969880      7.533356
  H      -6.642592      4.007584      3.686455
  H      -9.567278      5.779993      2.770153
  H     -11.913626      5.512291      4.632536
  H     -12.566400      4.373720      5.871425
  H     -13.094871      6.089048      5.826799
  H      -9.317336      6.356260      8.394097
  H      -6.361627      4.622282      9.286097
  H      -6.336182      1.665672      6.027049
  H      -6.516338      0.730532      7.512803
  H      -8.245662      2.163309      5.983623
  H     -10.934959      3.856521      4.762335
  N      -2.117986      2.900709      3.761342
  H      -1.618181      3.773876      3.946124
  H      -2.803451      3.102301      3.020132
  H      -1.454153      2.234547      3.360650
96
Coordinates from ORCA-job orca E -6661.798623347971
  N      -2.313700      0.378285      5.166491
  Mo     -3.308697      2.057814      5.651053
  N      -4.502474      1.288819      7.023531
  C      -3.965623      0.747689      8.269347
  C      -2.490958      0.432061      8.073990
  N      -1.846832      1.540790      7.306149
  C      -0.589254      1.093917      6.656005
  C      -0.948425      0.110443      5.535157
  C      -1.594319      2.712735      8.192170
  C      -1.641121      3.958898      7.329228
  N      -2.780266      3.819840      6.444287
  H      -0.237139      0.236837      4.694153
  H      -0.831493     -0.933496      5.884777
  H      -0.099553      1.989472      6.251850
  H       0.088747      0.641813      7.400195
  H      -1.737875      4.849990      7.971039
  H      -0.699893      4.082308      6.759468
  H      -2.405910      2.759651      8.929593
  H      -0.637984      2.584362      8.726938
  H      -4.497304     -0.180242      8.554513
  H      -4.109978      1.460725      9.100229
  H      -2.371310     -0.488157      7.492819
  H      -1.978453      0.302050      9.042073
  C      -2.165918     -1.425393     -2.939535
  C      -2.782713     -0.239469     -2.229282
  O      -3.076782      0.770876     -2.884641
  C      -3.032787     -0.277027     -0.769681
  C      -3.630792      0.873088     -0.198924
  C      -3.921901      0.983256      1.144359
  O      -4.475731      2.136403      1.620543
  C      -3.584546     -0.090170      2.042931
  C      -3.797685      0.037269      3.430341
  O      -4.350377      1.133817      3.949399
  C      -3.113785     -0.683742      4.547212
  C      -2.990981     -1.250220      1.468177
  C      -2.724272     -1.353109      0.111228
  O      -2.150637     -2.495938     -0.393196
  C      -9.843627      8.875185      4.732251
  C      -9.491132      7.582826      4.045887
  O     -10.289648      7.111363      3.189904
  C      -8.270076      6.877307      4.394132
  C      -7.387051      7.347659      5.392180
  C      -6.254867      6.647656      5.762249
  O      -5.422626      7.098683      6.756744
  C      -5.940478      5.402861      5.132647
  C      -4.839804      4.568815      5.531359
  O      -4.705853      3.399180      4.997678
  C      -3.759465      4.892987      6.508500
  C      -6.811356      4.940183      4.122237
  C      -7.948610      5.642336      3.745770
  O      -8.747853      5.130247      2.790653
  C     -12.218664      5.356430      5.562580
  C     -11.125708      5.797404      6.509721
  O     -11.219974      6.897592      7.058230
  C      -9.947472      4.920059      6.788068
  C      -9.091591      5.359090      7.812282
  C      -7.943695      4.665922      8.178723
  O      -7.161633      5.169538      9.158301
  C      -7.608078      3.459181      7.488899
  C      -6.349851      2.783533      7.807180
  O      -5.597742      3.225603      8.711091
  C      -5.929530      1.531804      7.031694
  C      -8.470044      3.014135      6.471274
  C      -9.614486      3.714829      6.106180
  O     -10.323279      3.166324      5.073719
  H      -1.178540     -1.667257     -2.521109
  H      -2.073608     -1.180878     -4.003869
  H      -2.783538     -2.326023     -2.812734
  H      -3.864615      1.701378     -0.868819
  H      -4.629642      1.972669      2.601648
  H      -3.918429     -0.957204      5.264687
  H      -2.529294     -1.586030      4.322592
  H      -2.740210     -2.088075      2.124011
  H      -2.046137     -3.127761      0.340735
  H     -10.109600      8.674329      5.783743
  H      -9.005533      9.586415      4.723058
  H     -10.710021      9.319339      4.230037
  H      -7.619916      8.277416      5.915707
  H      -5.853448      7.850450      7.201485
  H      -3.327385      5.889438      6.301056
  H      -4.193991      4.962071      7.526237
  H      -6.598775      3.987939      3.636650
  H      -9.510050      5.797962      2.722408
  H     -11.871957      5.461394      4.517795
  H     -12.541731      4.319946      5.738219
  H     -13.072929      6.031903      5.685039
  H      -9.340132      6.289151      8.324159
  H      -6.390137      4.521970      9.226026
  H      -6.276268      1.609202      5.994269
  H      -6.475071      0.678172      7.485527
  H      -8.241454      2.115948      5.900548
  H     -10.902736      3.833098      4.666138
  N      -2.070049      2.889106      3.782359
  H      -1.581275      3.771378      3.952608
  H      -2.742567      3.069777      3.024893
  H      -1.389788      2.226781      3.399916
96
Coordinates from ORCA-job orca E -6661.801149463011
  N      -2.238123      0.380651      5.224677
  Mo     -3.266072      2.041898      5.699873
  N      -4.467739      1.262715      7.061556
  C      -3.942218      0.733722      8.316334
  C      -2.462947      0.432819      8.137698
  N      -1.821962      1.548274      7.377872
  C      -0.550789      1.113032      6.747087
  C      -0.880104      0.121885      5.624055
  C      -1.599674      2.726306      8.263089
  C      -1.644658      3.969662      7.395507
  N      -2.767240      3.814295      6.492655
  H      -0.149485      0.248436      4.799046
  H      -0.765727     -0.921428      5.976659
  H      -0.066211      2.013515      6.347358
  H       0.121377      0.672766      7.503983
  H      -1.762367      4.862434      8.031458
  H      -0.694806      4.101523      6.841634
  H      -2.425883      2.763424      8.984164
  H      -0.652060      2.609464      8.816242
  H      -4.467231     -0.198658      8.599547
  H      -4.104616      1.448006      9.142297
  H      -2.328619     -0.483894      7.554087
  H      -1.958048      0.305811      9.110350
  C      -2.436072     -1.304140     -2.960774
  C      -3.043554     -0.138538     -2.210944
  O      -3.399457      0.865675     -2.843296
  C      -3.213674     -0.188295     -0.739345
  C      -3.812096      0.941047     -0.131654
  C      -4.036393      1.035847      1.226395
  O      -4.611570      2.164051      1.732065
  C      -3.618761     -0.032703      2.100397
  C      -3.750250      0.077461      3.500660
  O      -4.317024      1.146972      4.059069
  C      -3.011702     -0.674691      4.564681
  C      -3.025970     -1.172195      1.485448
  C      -2.829862     -1.259446      0.116992
  O      -2.254153     -2.383617     -0.427829
  C      -9.804476      8.838948      4.624419
  C      -9.435558      7.542809      3.953780
  O     -10.205212      7.072437      3.070326
  C      -8.226563      6.835051      4.335839
  C      -7.361230      7.306550      5.349813
  C      -6.238587      6.604177      5.739697
  O      -5.414925      7.054024      6.742558
  C      -5.916038      5.357872      5.119455
  C      -4.821169      4.534965      5.543252
  O      -4.669608      3.360339      5.020115
  C      -3.760611      4.873468      6.537825
  C      -6.770164      4.890714      4.094501
  C      -7.898009      5.597046      3.696760
  O      -8.685746      5.089603      2.728596
  C     -12.147291      5.325676      5.424499
  C     -11.078682      5.763403      6.401491
  O     -11.188385      6.859383      6.954913
  C      -9.907519      4.886615      6.705941
  C      -9.071737      5.327492      7.744706
  C      -7.933739      4.632210      8.135073
  O      -7.170427      5.132913      9.130482
  C      -7.585259      3.423218      7.455258
  C      -6.335212      2.747307      7.802036
  O      -5.600861      3.192592      8.719273
  C      -5.896259      1.493505      7.043022
  C      -8.428859      2.976739      6.421985
  C      -9.565323      3.678632      6.035463
  O     -10.263494      3.122000      4.999339
  H      -1.420905     -1.521471     -2.599526
  H      -2.410152     -1.052532     -4.027065
  H      -3.020903     -2.221752     -2.804295
  H      -4.106753      1.763517     -0.784361
  H      -4.733076      1.980877      2.716746
  H      -3.781224     -1.040186      5.281899
  H      -2.393983     -1.531201      4.264047
  H      -2.717014     -2.007481      2.119566
  H      -2.093882     -3.016189      0.295511
  H     -10.100254      8.644012      5.667919
  H      -8.964942      9.547677      4.636797
  H     -10.654552      9.283915      4.095433
  H      -7.598556      8.239748      5.864560
  H      -5.849482      7.807597      7.180499
  H      -3.335091      5.874618      6.336869
  H      -4.211881      4.939779      7.549060
  H      -6.551265      3.937568      3.614889
  H      -9.444046      5.764538      2.649935
  H     -11.775039      5.436059      4.389148
  H     -12.471372      4.287327      5.586778
  H     -13.006238      5.998309      5.527000
  H      -9.328678      6.259825      8.248215
  H      -6.400755      4.480729      9.206056
  H      -6.223562      1.562541      5.998135
  H      -6.444464      0.638131      7.491654
  H      -8.192815      2.075367      5.858824
  H     -10.836661      3.787392      4.579429
  N      -1.999772      2.890831      3.839758
  H      -1.527164      3.779452      4.020609
  H      -2.664382      3.060470      3.075173
  H      -1.306201      2.235741      3.470368
96
Coordinates from ORCA-job orca E -6661.803608427382
  N      -2.155096      0.457579      5.229064
  Mo     -3.225160      2.090016      5.722195
  N      -4.440424      1.260190      7.042539
  C      -3.937921      0.704972      8.295063
  C      -2.451299      0.430400      8.140262
  N      -1.811781      1.576335      7.425727
  C      -0.519254      1.175371      6.816421
  C      -0.806358      0.204898      5.665408
  C      -1.631306      2.732470      8.347738
  C      -1.669641      3.996498      7.511350
  N      -2.770294      3.847422      6.579876
  H      -0.052523      0.355065      4.865377
  H      -0.690666     -0.845047      5.998556
  H      -0.039361      2.091249      6.447312
  H       0.140533      0.728902      7.580741
  H      -1.812930      4.873501      8.163462
  H      -0.708914      4.151750      6.982762
  H      -2.479219      2.736349      9.043788
  H      -0.697908      2.612393      8.924172
  H      -4.455748     -0.241287      8.542784
  H      -4.128101      1.395233      9.135214
  H      -2.291357     -0.466989      7.533603
  H      -1.964561      0.284688      9.119478
  C      -2.667785     -1.458950     -3.010060
  C      -3.233246     -0.270792     -2.262423
  O      -3.622718      0.714309     -2.904085
  C      -3.325837     -0.273800     -0.781811
  C      -3.894750      0.874774     -0.182971
  C      -4.052163      1.015397      1.181075
  O      -4.603483      2.160704      1.673887
  C      -3.590012     -0.023467      2.068910
  C      -3.657996      0.129669      3.468895
  O      -4.229379      1.207534      4.004017
  C      -2.876006     -0.599801      4.517616
  C      -3.025686     -1.182293      1.462705
  C      -2.897172     -1.315531      0.090465
  O      -2.348233     -2.458485     -0.444037
  C      -9.805845      8.860459      4.657305
  C      -9.403580      7.587832      3.960446
  O     -10.138889      7.136343      3.038042
  C      -8.202299      6.879119      4.362299
  C      -7.371729      7.330166      5.413961
  C      -6.255509      6.626339      5.816939
  O      -5.463840      7.055579      6.854732
  C      -5.903521      5.398428      5.174186
  C      -4.812814      4.576209      5.605324
  O      -4.637188      3.414330      5.057646
  C      -3.773481      4.897860      6.629740
  C      -6.724143      4.950153      4.111813
  C      -7.845158      5.660135      3.700458
  O      -8.601478      5.174076      2.695398
  C     -12.105203      5.304782      5.308802
  C     -11.070814      5.718688      6.332539
  O     -11.208799      6.794400      6.919422
  C      -9.901128      4.841969      6.644403
  C      -9.098855      5.259171      7.719629
  C      -7.966268      4.561827      8.121392
  O      -7.233903      5.039374      9.152435
  C      -7.587343      3.375935      7.417008
  C      -6.342338      2.701155      7.778491
  O      -5.638315      3.123503      8.730588
  C      -5.871842      1.472568      6.995661
  C      -8.397715      2.952360      6.347756
  C      -9.529007      3.656226      5.949407
  O     -10.191602      3.121568      4.878353
  H      -1.634340     -1.666975     -2.699112
  H      -2.700433     -1.238854     -4.083158
  H      -3.243195     -2.370374     -2.794699
  H      -4.223084      1.674636     -0.847682
  H      -4.680563      2.014306      2.666437
  H      -3.614908     -1.055187      5.217243
  H      -2.210274     -1.400417      4.167003
  H      -2.687065     -1.997901      2.107292
  H      -2.148950     -3.064053      0.292689
  H     -10.133555      8.630662      5.684268
  H      -8.973567      9.575113      4.718788
  H     -10.642198      9.314471      4.114223
  H      -7.631887      8.247686      5.945696
  H      -5.914551      7.798624      7.295003
  H      -3.349364      5.905203      6.460424
  H      -4.243967      4.938770      7.633544
  H      -6.483552      4.012725      3.612491
  H      -9.360079      5.851266      2.610867
  H     -11.701044      5.451589      4.289883
  H     -12.423638      4.259053      5.428721
  H     -12.973827      5.965960      5.404205
  H      -9.377817      6.174486      8.242066
  H      -6.460914      4.388771      9.226751
  H      -6.174389      1.567291      5.945273
  H      -6.420246      0.599091      7.407669
  H      -8.138148      2.069132      5.766025
  H     -10.758992      3.792873      4.460544
  N      -1.927435      3.009384      3.919203
  H      -1.472409      3.897663      4.140954
  H      -2.574210      3.190774      3.143766
  H      -1.216779      2.371435      3.553513
96
Coordinates from ORCA-job orca E -6661.805696199286
  N      -2.061629      0.522266      5.243674
  Mo     -3.176505      2.124523      5.747773
  N      -4.404943      1.251043      7.029083
  C      -3.924179      0.678915      8.281313
  C      -2.431585      0.428355      8.152350
  N      -1.794328      1.598776      7.476887
  C      -0.481497      1.228136      6.892821
  C      -0.725736      0.273850      5.720537
  C      -1.655816      2.737335      8.426925
  C      -1.689575      4.016453      7.615225
  N      -2.767283      3.870891      6.657067
  H       0.051032      0.440916      4.945895
  H      -0.610342     -0.780563      6.040641
  H      -0.006002      2.156438      6.550020
  H       0.164816      0.778829      7.667131
  H      -1.858346      4.880077      8.278865
  H      -0.718560      4.192025      7.111966
  H      -2.524186      2.713038      9.096676
  H      -0.737254      2.616296      9.026647
  H      -4.434568     -0.278719      8.499328
  H      -4.142531      1.350927      9.129462
  H      -2.247096     -0.452140      7.528131
  H      -1.961521      0.268125      9.137459
  C      -2.967946     -1.542916     -3.019811
  C      -3.477762     -0.335150     -2.264200
  O      -3.900013      0.639199     -2.900745
  C      -3.477686     -0.304727     -0.779933
  C      -4.002141      0.859739     -0.173700
  C      -4.073044      1.032963      1.194817
  O      -4.582350      2.195044      1.690654
  C      -3.562765      0.010397      2.075462
  C      -3.548025      0.192610      3.474042
  O      -4.105943      1.269763      4.017824
  C      -2.734191     -0.535355      4.492220
  C      -3.043108     -1.165263      1.461165
  C      -3.000508     -1.329434      0.087395
  O      -2.492212     -2.487743     -0.455676
  C      -9.790489      8.871972      4.675357
  C      -9.362043      7.620007      3.957279
  O     -10.073295      7.187184      3.006321
  C      -8.167851      6.907903      4.372782
  C      -7.365493      7.341724      5.454027
  C      -6.255654      6.635194      5.868376
  O      -5.491622      7.047065      6.934049
  C      -5.880454      5.421580      5.209788
  C      -4.794867      4.599796      5.651773
  O      -4.596251      3.448526      5.086597
  C      -3.780213      4.910601      6.703071
  C      -6.672821      4.990699      4.117883
  C      -7.786936      5.704354      3.694233
  O      -8.515211      5.236903      2.659912
  C     -12.058076      5.252923      5.155403
  C     -11.058841      5.652471      6.219373
  O     -11.225604      6.714088      6.825474
  C      -9.891452      4.779240      6.548989
  C      -9.123815      5.183369      7.654479
  C      -7.996982      4.488641      8.075438
  O      -7.297267      4.952365      9.135352
  C      -7.585791      3.319874      7.360027
  C      -6.345505      2.652430      7.742750
  O      -5.674049      3.062797      8.724502
  C      -5.838695      1.444202      6.950993
  C      -8.361644      2.908846      6.260289
  C      -9.488193      3.609600      5.843678
  O     -10.113732      3.088455      4.743052
  H      -1.918235     -1.752327     -2.770086
  H      -3.066863     -1.344691     -4.093082
  H      -3.534122     -2.445430     -2.749159
  H      -4.366330      1.647012     -0.834764
  H      -4.593508      2.079515      2.687285
  H      -3.438815     -1.066737      5.174646
  H      -2.035980     -1.282998      4.088685
  H      -2.672148     -1.971146      2.100183
  H      -2.247858     -3.077030      0.280631
  H     -10.141596      8.614164      5.688037
  H      -8.964846      9.590129      4.775168
  H     -10.616255      9.334307      4.123242
  H      -7.644138      8.246195      5.998786
  H      -5.955364      7.782030      7.374705
  H      -3.358795      5.922876      6.559591
  H      -4.271157      4.931829      7.697859
  H      -6.415129      4.065717      3.604368
  H      -9.272046      5.918301      2.566774
  H     -11.623250      5.421787      4.152583
  H     -12.372824      4.203117      5.246128
  H     -12.934276      5.906180      5.235428
  H      -9.425825      6.086558      8.184802
  H      -6.520767      4.304520      9.216736
  H      -6.116394      1.554024      5.895221
  H      -6.384002      0.555857      7.333933
  H      -8.076529      2.039632      5.669001
  H     -10.671617      3.763553      4.318809
  N      -1.849329      3.104557      3.993807
  H      -1.413437      3.993018      4.249688
  H      -2.480619      3.293985      3.208348
  H      -1.121512      2.482747      3.635144
96
Coordinates from ORCA-job orca E -6661.807558442931
  N      -1.996390      0.578625      5.244936
  Mo     -3.140119      2.151066      5.777748
  N      -4.380415      1.243422      7.022366
  C      -3.917868      0.657756      8.273687
  C      -2.422433      0.420638      8.163030
  N      -1.784488      1.607801      7.518605
  C      -0.459280      1.255895      6.950874
  C      -0.675476      0.320073      5.759996
  C      -1.672901      2.731706      8.489167
  C      -1.703724      4.024263      7.698961
  N      -2.764163      3.885885      6.721926
  H       0.121250      0.494988      5.007614
  H      -0.570430     -0.739526      6.066882
  H       0.016942      2.191866      6.630842
  H       0.175477      0.798003      7.730028
  H      -1.891023      4.875278      8.373773
  H      -0.725460      4.215300      7.214992
  H      -2.554599      2.689647      9.140628
  H      -0.765188      2.606309      9.104229
  H      -4.424771     -0.306877      8.468362
  H      -4.157637      1.316538      9.126616
  H      -2.225814     -0.444911      7.521485
  H      -1.961680      0.242928      9.149560
  C      -3.164060     -1.607867     -3.014042
  C      -3.669608     -0.397141     -2.262108
  O      -4.146286      0.552316     -2.896314
  C      -3.600665     -0.333666     -0.778103
  C      -4.124884      0.828355     -0.172616
  C      -4.131061      1.032214      1.195936
  O      -4.643529      2.192663      1.684360
  C      -3.553258      0.041128      2.069117
  C      -3.473402      0.257442      3.465181
  O      -4.030883      1.318353      4.012830
  C      -2.625832     -0.470365      4.450838
  C      -3.034954     -1.134539      1.454948
  C      -3.055481     -1.327451      0.084409
  O      -2.545377     -2.483874     -0.461533
  C      -9.778434      8.875273      4.682367
  C      -9.328683      7.636826      3.955085
  O     -10.022105      7.216577      2.983715
  C      -8.139424      6.923782      4.380868
  C      -7.354340      7.348120      5.480290
  C      -6.248336      6.639674      5.902297
  O      -5.502633      7.042750      6.984751
  C      -5.857712      5.434416      5.235106
  C      -4.777525      4.612604      5.687216
  O      -4.561268      3.468974      5.108771
  C      -3.786928      4.914591      6.762719
  C      -6.633096      5.014956      4.125729
  C      -7.742564      5.730005      3.694188
  O      -8.454423      5.274652      2.643888
  C     -12.021101      5.226538      5.049165
  C     -11.047381      5.612568      6.141941
  O     -11.234541      6.663965      6.762694
  C      -9.882302      4.742188      6.481049
  C      -9.135183      5.137664      7.604049
  C      -8.013468      4.444227      8.037627
  O      -7.336320      4.896978      9.115971
  C      -7.580820      3.285729      7.316092
  C      -6.346929      2.622086      7.713213
  O      -5.693552      3.026383      8.712195
  C      -5.816238      1.425291      6.920380
  C      -8.335299      2.884281      6.196989
  C      -9.459244      3.582688      5.770676
  O     -10.065642      3.068585      4.654282
  H      -2.098544     -1.785065     -2.809517
  H      -3.318418     -1.436045     -4.085256
  H      -3.692508     -2.518418     -2.697159
  H      -4.541408      1.592234     -0.830158
  H      -4.595309      2.112704      2.680259
  H      -3.290748     -1.075297      5.110888
  H      -1.904048     -1.161500      3.987997
  H      -2.614001     -1.920326      2.088016
  H      -2.248073     -3.051396      0.272170
  H     -10.146055      8.601761      5.684879
  H      -8.958984      9.597047      4.806670
  H     -10.596637      9.340705      4.121827
  H      -7.645054      8.244487      6.032222
  H      -5.976665      7.771010      7.425621
  H      -3.367738      5.930574      6.642320
  H      -4.296731      4.917908      7.748660
  H      -6.366507      4.096444      3.605079
  H      -9.209231      5.960275      2.545325
  H     -11.565607      5.410603      4.058260
  H     -12.335150      4.174762      5.118867
  H     -12.901306      5.875669      5.119378
  H      -9.451689      6.033186      8.138568
  H      -6.557276      4.250335      9.202056
  H      -6.076573      1.542819      5.861146
  H      -6.358167      0.527841      7.285329
  H      -8.034987      2.024271      5.599446
  H     -10.615155      3.747314      4.224969
  N      -1.785340      3.182703      4.056398
  H      -1.366512      4.069624      4.343393
  H      -2.407631      3.381261      3.267570
  H      -1.044731      2.574877      3.701392
96
Coordinates from ORCA-job orca E -6661.809243259540
  N      -1.912159      0.640214      5.250993
  Mo     -3.092880      2.184398      5.794907
  N      -4.348998      1.237583      6.994321
  C      -3.909290      0.634222      8.244471
  C      -2.409998      0.413171      8.162295
  N      -1.771263      1.619504      7.556443
  C      -0.429080      1.294614      7.015158
  C      -0.608071      0.375795      5.806886
  C      -1.691049      2.724422      8.552197
  C      -1.716647      4.030454      7.785118
  N      -2.757145      3.902892      6.785260
  H       0.210479      0.560505      5.080895
  H      -0.510084     -0.686985      6.105715
  H       0.042620      2.240938      6.719950
  H       0.194040      0.832138      7.800761
  H      -1.922859      4.867188      8.472285
  H      -0.730792      4.237763      7.323553
  H      -2.585958      2.666203      9.184599
  H      -0.796237      2.594602      9.184881
  H      -4.410675     -0.338905      8.409685
  H      -4.175164      1.273999      9.104558
  H      -2.193577     -0.437513      7.507155
  H      -1.967970      0.218150      9.154021
  C      -3.400366     -1.678036     -2.990675
  C      -3.899320     -0.465933     -2.236784
  O      -4.437606      0.456708     -2.861438
  C      -3.749897     -0.370944     -0.760169
  C      -4.271496      0.787954     -0.147050
  C      -4.204666      1.020980      1.215334
  O      -4.727789      2.175643      1.706912
  C      -3.549577      0.065067      2.070873
  C      -3.390295      0.312720      3.454753
  O      -3.926325      1.376280      4.015288
  C      -2.493547     -0.399666      4.410128
  C      -3.036965     -1.110375      1.451665
  C      -3.129773     -1.332722      0.087576
  O      -2.619586     -2.485668     -0.463200
  C      -9.771483      8.880534      4.701094
  C      -9.288054      7.665784      3.956195
  O      -9.951176      7.264975      2.955702
  C      -8.104045      6.953164      4.395806
  C      -7.346746      7.359311      5.521917
  C      -6.243780      6.650215      5.954253
  O      -5.527472      7.037896      7.061652
  C      -5.829115      5.462196      5.270594
  C      -4.751931      4.636671      5.727037
  O      -4.516257      3.508248      5.129719
  C      -3.785990      4.924505      6.826245
  C      -6.577881      5.062619      4.137075
  C      -7.682274      5.777654      3.694724
  O      -8.367033      5.338383      2.620567
  C     -11.976944      5.188720      4.917304
  C     -11.038160      5.558119      6.045048
  O     -11.254414      6.591815      6.686811
  C      -9.872331      4.692829      6.392066
  C      -9.155892      5.071704      7.540718
  C      -8.037885      4.381319      7.988042
  O      -7.394263      4.819998      9.091258
  C      -7.575448      3.241989      7.253303
  C      -6.345696      2.580416      7.666992
  O      -5.718961      2.969550      8.688942
  C      -5.784718      1.403441      6.864218
  C      -8.298369      2.857592      6.107875
  C      -9.419256      3.552886      5.668381
  O      -9.994350      3.055111      4.528192
  H      -2.320203     -1.819220     -2.842406
  H      -3.618936     -1.535094     -4.054985
  H      -3.882635     -2.596119     -2.625449
  H      -4.747846      1.526867     -0.792498
  H      -4.629664      2.125990      2.697433
  H      -3.118880     -1.070269      5.045684
  H      -1.741386     -1.030783      3.910370
  H      -2.559364     -1.871488      2.074641
  H      -2.262316     -3.029503      0.261563
  H     -10.163790      8.577675      5.685590
  H      -8.964080      9.608175      4.866157
  H     -10.579097      9.351143      4.129761
  H      -7.657215      8.241569      6.085864
  H      -6.015335      7.755930      7.503765
  H      -3.372803      5.946052      6.733023
  H      -4.315891      4.907040      7.801627
  H      -6.293657      4.156556      3.603284
  H      -9.122566      6.019845      2.516463
  H     -11.496011      5.398997      3.943925
  H     -12.284324      4.133230      4.954550
  H     -12.864185      5.829155      4.979231
  H      -9.494883      5.952671      8.085719
  H      -6.610264      4.182955      9.187281
  H      -6.025845      1.536192      5.802601
  H      -6.322324      0.493755      7.203731
  H      -7.975215      2.013182      5.500301
  H     -10.539796      3.736149      4.097692
  N      -1.709159      3.270497      4.132535
  H      -1.306085      4.153568      4.452330
  H      -2.313700      3.483361      3.333041
  H      -0.954398      2.675902      3.785268
96
Coordinates from ORCA-job orca E -6661.810793607172
  N      -1.825589      0.709651      5.248588
  Mo     -3.042974      2.218413      5.815627
  N      -4.316481      1.228738      6.961030
  C      -3.900946      0.605011      8.209689
  C      -2.399125      0.398158      8.156815
  N      -1.758647      1.623286      7.591357
  C      -0.400507      1.322407      7.076110
  C      -0.541851      0.429631      5.845402
  C      -1.709617      2.707432      8.612865
  C      -1.731875      4.030220      7.873800
  N      -2.752689      3.916625      6.852718
  H       0.299139      0.626316      5.149340
  H      -0.455453     -0.639242      6.127001
  H       0.069146      2.279320      6.813332
  H       0.207842      0.848042      7.866119
  H      -1.957456      4.849182      8.576290
  H      -0.739412      4.255543      7.435226
  H      -2.616575      2.630317      9.225818
  H      -0.827693      2.570909      9.262016
  H      -4.396591     -0.375977      8.342231
  H      -4.194848      1.223806      9.075888
  H      -2.162515     -0.436559      7.487655
  H      -1.974951      0.184561      9.152278
  C      -3.644276     -1.743681     -2.944307
  C      -4.140492     -0.534823     -2.183945
  O      -4.750138      0.354320     -2.790436
  C      -3.904216     -0.402036     -0.720128
  C      -4.427291      0.752158     -0.101180
  C      -4.282784      1.020955      1.249322
  O      -4.815913      2.168868      1.744432
  C      -3.544883      0.107661      2.080149
  C      -3.310060      0.392525      3.447397
  O      -3.841951      1.446004      4.017905
  C      -2.364005     -0.313436      4.365841
  C      -3.031888     -1.064832      1.458496
  C      -3.200309     -1.323137      0.107352
  O      -2.685865     -2.471608     -0.447098
  C      -9.763327      8.873364      4.712750
  C      -9.247545      7.681944      3.951913
  O      -9.881551      7.298478      2.925231
  C      -8.069432      6.969835      4.403385
  C      -7.340682      7.357782      5.554595
  C      -6.241291      6.649227      5.996915
  O      -5.552540      7.022461      7.126531
  C      -5.802019      5.478706      5.299255
  C      -4.727804      4.653290      5.761586
  O      -4.468159      3.540536      5.144989
  C      -3.791299      4.928510      6.889109
  C      -6.523043      5.097367      4.141764
  C      -7.622158      5.812685      3.687497
  O      -8.278986      5.391434      2.588850
  C     -11.931191      5.159803      4.789858
  C     -11.023624      5.509370      5.948993
  O     -11.269717      6.521656      6.614191
  C      -9.856105      4.649794      6.300554
  C      -9.168389      5.008641      7.473629
  C      -8.053871      4.319071      7.930791
  O      -7.439843      4.735762      9.058526
  C      -7.562699      3.201512      7.180661
  C      -6.339411      2.540528      7.610775
  O      -5.740792      2.912471      8.656620
  C      -5.750476      1.381412      6.801671
  C      -8.255705      2.837966      6.009615
  C      -9.373809      3.531422      5.561647
  O      -9.920382      3.052373      4.399708
  H      -2.552468     -1.841620     -2.861875
  H      -3.934286     -1.632086     -3.995335
  H      -4.066786     -2.670609     -2.531225
  H      -4.968980      1.460125     -0.729741
  H      -4.648916      2.161649      2.725598
  H      -2.946153     -1.048152      4.971534
  H      -1.588420     -0.882324      3.827172
  H      -2.492516     -1.796154      2.066456
  H      -2.262924     -2.984507      0.265023
  H     -10.177939      8.543886      5.679425
  H      -8.969145      9.605756      4.916761
  H     -10.560816      9.349093      4.131459
  H      -7.670569      8.226036      6.129104
  H      -6.055669      7.729254      7.569438
  H      -3.384755      5.955395      6.823704
  H      -4.344162      4.889636      7.850921
  H      -6.220623      4.204047      3.596527
  H      -9.035031      6.071498      2.478903
  H     -11.430209      5.397090      3.833029
  H     -12.230839      4.101348      4.794212
  H     -12.825461      5.790869      4.847100
  H      -9.529462      5.872852      8.031388
  H      -6.652576      4.103548      9.157105
  H      -5.970748      1.528841      5.737509
  H      -6.284279      0.460370      7.116054
  H      -7.911538      2.010477      5.390525
  H     -10.462063      3.738201      3.972108
  N      -1.630095      3.365929      4.209640
  H      -1.246078      4.244688      4.563249
  H      -2.218528      3.593510      3.402855
  H      -0.860116      2.788213      3.867911
96
Coordinates from ORCA-job orca E -6661.812253651146
  N      -1.739577      0.799775      5.228781
  Mo     -2.994945      2.269325      5.822694
  N      -4.282766      1.225504      6.902003
  C      -3.890573      0.568200      8.142026
  C      -2.386044      0.379472      8.118651
  N      -1.747767      1.629704      7.607102
  C      -0.373450      1.359824      7.116715
  C      -0.476390      0.499776      5.860442
  C      -1.736054      2.681341      8.663856
  C      -1.757513      4.027509      7.967483
  N      -2.755903      3.935270      6.922335
  H       0.386589      0.709766      5.196309
  H      -0.403092     -0.576268      6.118709
  H       0.090279      2.329344      6.892328
  H       0.222150      0.869890      7.906899
  H      -2.007149      4.820401      8.691454
  H      -0.758971      4.277743      7.557332
  H      -2.655789      2.574420      9.252374
  H      -0.868250      2.534085      9.329562
  H      -4.377551     -0.421829      8.231793
  H      -4.213352      1.155775      9.019165
  H      -2.124710     -0.431544      7.429414
  H      -1.981400      0.139285      9.116031
  C      -3.872571     -1.890842     -2.865684
  C      -4.361596     -0.670666     -2.118902
  O      -5.035356      0.176268     -2.717028
  C      -4.041344     -0.476441     -0.677524
  C      -4.562060      0.684349     -0.069436
  C      -4.343807      1.007541      1.259338
  O      -4.884633      2.155016      1.745237
  C      -3.530162      0.147344      2.074396
  C      -3.225729      0.483114      3.417670
  O      -3.752961      1.537959      3.984508
  C      -2.233851     -0.203044      4.303767
  C      -3.019031     -1.031522      1.465279
  C      -3.260459     -1.345292      0.136811
  O      -2.746157     -2.498734     -0.406466
  C      -9.766496      8.884254      4.773527
  C      -9.216501      7.728431      3.981628
  O      -9.817014      7.378294      2.923044
  C      -8.043426      7.012422      4.438560
  C      -7.349432      7.366786      5.621077
  C      -6.254622      6.655202      6.068333
  O      -5.599234      6.997855      7.227202
  C      -5.784747      5.513407      5.344241
  C      -4.713281      4.684560      5.805337
  O      -4.425463      3.595277      5.159726
  C      -3.807815      4.933967      6.965826
  C      -6.471596      5.163940      4.155410
  C      -7.565086      5.884428      3.695061
  O      -8.188698      5.494789      2.565429
  C     -11.871771      5.149471      4.651644
  C     -11.008814      5.463005      5.854784
  O     -11.292329      6.443651      6.551515
  C      -9.839935      4.606899      6.209088
  C      -9.189570      4.931720      7.413660
  C      -8.078838      4.240209      7.877481
  O      -7.501403      4.622752      9.036973
  C      -7.552241      3.155868      7.102475
  C      -6.335592      2.491828      7.544854
  O      -5.768782      2.833560      8.618606
  C      -5.714522      1.364145      6.714165
  C      -8.207490      2.826565      5.899671
  C      -9.321497      3.521626      5.445075
  O      -9.829840      3.076302      4.253277
  H      -2.774994     -1.951365     -2.846773
  H      -4.228540     -1.827534     -3.900282
  H      -4.238354     -2.814480     -2.395191
  H      -5.163553      1.352448     -0.687081
  H      -4.651866      2.196284      2.711503
  H      -2.770920     -0.997531      4.876115
  H      -1.433362     -0.707215      3.736301
  H      -2.422182     -1.724319      2.064594
  H      -2.263090     -2.971294      0.295210
  H     -10.203629      8.513243      5.715092
  H      -8.987553      9.616999      5.028347
  H     -10.553318      9.373495      4.188743
  H      -7.703069      8.211998      6.215496
  H      -6.121076      7.685971      7.677939
  H      -3.411891      5.966857      6.942206
  H      -4.383822      4.859234      7.911474
  H      -6.146898      4.291890      3.589384
  H      -8.946312      6.174056      2.458413
  H     -11.341192      5.427890      3.722224
  H     -12.159684      4.088710      4.605368
  H     -12.774869      5.768486      4.701838
  H      -9.577951      5.770428      7.991668
  H      -6.709889      3.995405      9.134818
  H      -5.913343      1.540560      5.650107
  H      -6.242987      0.427814      6.990388
  H      -7.836263      2.025192      5.262048
  H     -10.368451      3.770476      3.835473
  N      -1.558279      3.492446      4.290094
  H      -1.195177      4.363375      4.683095
  H      -2.128948      3.740538      3.477385
  H      -0.772298      2.935895      3.950045
96
Coordinates from ORCA-job orca E -6661.813684423666
  N      -1.638115      0.905418      5.199082
  Mo     -2.934518      2.331948      5.822541
  N      -4.241127      1.227095      6.815565
  C      -3.876670      0.525523      8.040806
  C      -2.370576      0.354468      8.055160
  N      -1.733953      1.631949      7.612047
  C      -0.341569      1.396118      7.154593
  C      -0.399315      0.580803      5.867072
  C      -1.767264      2.640431      8.710424
  C      -1.787522      4.013750      8.068703
  N      -2.758499      3.952829      6.996358
  H       0.486883      0.808826      5.241177
  H      -0.339301     -0.503351      6.093873
  H       0.116999      2.378518      6.981229
  H       0.236111      0.882753      7.943051
  H      -2.064718      4.772531      8.818899
  H      -0.782484      4.291801      7.694396
  H      -2.701842      2.498425      9.266592
  H      -0.917532      2.477565      9.395453
  H      -4.354315     -0.472406      8.075641
  H      -4.232513      1.073493      8.929996
  H      -2.078166     -0.426777      7.344128
  H      -1.991547      0.080335      9.053700
  C      -4.137431     -2.056500     -2.734472
  C      -4.619659     -0.825202     -2.001759
  O      -5.373381     -0.033168     -2.578440
  C      -4.199093     -0.556833     -0.598375
  C      -4.720681      0.608054      0.001427
  C      -4.417306      0.993175      1.296615
  O      -4.970121      2.135275      1.780963
  C      -3.513992      0.197299      2.079651
  C      -3.136182      0.584543      3.391219
  O      -3.664845      1.631444      3.968318
  C      -2.090170     -0.075015      4.234743
  C      -2.998303     -0.982878      1.479829
  C      -3.324173     -1.360384      0.186050
  O      -2.805693     -2.515285     -0.348778
  C      -9.775257      8.889827      4.851871
  C      -9.180997      7.782749      4.022667
  O      -9.743360      7.473029      2.931041
  C      -8.010806      7.064094      4.482060
  C      -7.358164      7.374607      5.699266
  C      -6.266999      6.660125      6.149753
  O      -5.653298      6.961872      7.342213
  C      -5.758884      5.557345      5.392825
  C      -4.690016      4.722571      5.849061
  O      -4.369473      3.665029      5.168428
  C      -3.823121      4.937006      7.047216
  C      -6.404253      5.250859      4.168766
  C      -7.492933      5.976348      3.704449
  O      -8.075839      5.628426      2.539780
  C     -11.809063      5.134982      4.490300
  C     -10.995578      5.406210      5.738093
  O     -11.323431      6.346792      6.469089
  C      -9.823194      4.556032      6.093916
  C      -9.217256      4.838642      7.331994
  C      -8.108865      4.146907      7.801508
  O      -7.574652      4.488799      8.994383
  C      -7.539313      3.105507      6.998643
  C      -6.328673      2.438254      7.452687
  O      -5.803107      2.737868      8.558863
  C      -5.668343      1.353137      6.594483
  C      -8.149930      2.818293      5.762077
  C      -9.260480      3.514026      5.301146
  O      -9.721863      3.113745      4.075801
  H      -3.040023     -2.071965     -2.798388
  H      -4.573213     -2.053075     -3.739901
  H      -4.425993     -2.972448     -2.199786
  H      -5.394465      1.226406     -0.592572
  H      -4.660085      2.230879      2.721541
  H      -2.578345     -0.924622      4.771941
  H      -1.266770     -0.511858      3.642903
  H      -2.332321     -1.627329      2.059656
  H      -2.250151     -2.938029      0.330492
  H     -10.234924      8.466487      5.759851
  H      -9.018997      9.622379      5.167485
  H     -10.552247      9.393755      4.266337
  H      -7.741835      8.188079      6.318705
  H      -6.199498      7.623795      7.803149
  H      -3.439702      5.974617      7.073444
  H      -4.426416      4.820581      7.970657
  H      -6.050924      4.407709      3.577239
  H      -8.838503      6.302644      2.438996
  H     -11.250340      5.461198      3.593655
  H     -12.079300      4.073694      4.385957
  H     -12.722844      5.738486      4.534906
  H      -9.639428      5.644170      7.932960
  H      -6.776023      3.870858      9.091755
  H      -5.841590      1.569384      5.533220
  H      -6.190497      0.399831      6.820389
  H      -7.744991      2.050925      5.103669
  H     -10.257350      3.818297      3.671560
  N      -1.475475      3.637715      4.382559
  H      -1.134108      4.496653      4.819391
  H      -2.023380      3.914734      3.563631
  H      -0.672272      3.105381      4.043884
96
Coordinates from ORCA-job orca E -6661.814814288729
  N      -1.551115      0.999211      5.178125
  Mo     -2.881699      2.384750      5.828818
  N      -4.196742      1.229407      6.749482
  C      -3.853528      0.492181      7.960484
  C      -2.346431      0.336145      8.002723
  N      -1.713945      1.635085      7.617285
  C      -0.308691      1.428418      7.182698
  C      -0.333189      0.648806      5.872541
  C      -1.785400      2.604156      8.748803
  C      -1.808496      3.999153      8.156181
  N      -2.755892      3.964233      7.061491
  H       0.572788      0.884182      5.278565
  H      -0.289239     -0.441572      6.072232
  H       0.142634      2.420135      7.047525
  H       0.258708      0.897734      7.967304
  H      -2.111156      4.727576      8.926471
  H      -0.799329      4.301582      7.813585
  H      -2.731513      2.429592      9.275377
  H      -0.949997      2.427668      9.447970
  H      -4.322156     -0.510553      7.952284
  H      -4.233964      1.008746      8.858130
  H      -2.030341     -0.416755      7.271907
  H      -1.986217      0.030873      8.999397
  C      -4.415563     -2.189207     -2.584718
  C      -4.871661     -0.942419     -1.861091
  O      -5.690231     -0.192166     -2.404075
  C      -4.350037     -0.610063     -0.505872
  C      -4.858193      0.562253      0.091207
  C      -4.469036      1.000426      1.346032
  O      -5.019945      2.139776      1.839120
  C      -3.490005      0.255769      2.085723
  C      -3.044342      0.689525      3.361446
  O      -3.558681      1.745885      3.933371
  C      -1.970944      0.044598      4.176565
  C      -2.984578     -0.930045      1.488359
  C      -3.394923     -1.361242      0.235920
  O      -2.885595     -2.520849     -0.298218
  C      -9.786750      8.885428      4.917638
  C      -9.151165      7.822720      4.061359
  O      -9.674842      7.550428      2.941062
  C      -7.983230      7.103366      4.526669
  C      -7.369806      7.374674      5.773238
  C      -6.281702      6.657772      6.227143
  O      -5.706538      6.920125      7.448133
  C      -5.736857      5.591668      5.443417
  C      -4.670184      4.752497      5.895798
  O      -4.321027      3.723373      5.185997
  C      -3.835354      4.931868      7.123979
  C      -6.342683      5.324449      4.189328
  C      -7.427411      6.054101      3.722346
  O      -7.970785      5.746242      2.527172
  C     -11.739548      5.114170      4.313657
  C     -10.976620      5.346607      5.601168
  O     -11.349338      6.249102      6.358468
  C      -9.802094      4.501966      5.964648
  C      -9.242551      4.748086      7.232196
  C      -8.138993      4.056779      7.712832
  O      -7.649556      4.362022      8.935528
  C      -7.526380      3.054325      6.893334
  C      -6.322578      2.388086      7.365772
  O      -5.840159      2.656265      8.499059
  C      -5.619623      1.340624      6.493166
  C      -8.090141      2.802935      5.627038
  C      -9.195903      3.498512      5.153580
  O      -9.608777      3.136488      3.899378
  H      -3.326642     -2.180154     -2.736152
  H      -4.929647     -2.235543     -3.551351
  H      -4.635667     -3.090621     -1.995207
  H      -5.593636      1.140002     -0.469637
  H      -4.636241      2.275627      2.746317
  H      -2.418036     -0.851193      4.675054
  H      -1.131893     -0.332524      3.564192
  H      -2.260091     -1.536754      2.038179
  H      -2.266983     -2.903465      0.349533
  H     -10.265225      8.416970      5.793639
  H      -9.051965      9.615771      5.285004
  H     -10.555017      9.401340      4.330897
  H      -7.782613      8.157956      6.412822
  H      -6.276080      7.555579      7.918279
  H      -3.466415      5.971926      7.199236
  H      -4.459076      4.771630      8.026912
  H      -5.961092      4.509508      3.576076
  H      -8.739391      6.415276      2.430592
  H     -11.151788      5.480531      3.451638
  H     -11.992060      4.054417      4.159642
  H     -12.662280      5.704808      4.345795
  H      -9.697794      5.523927      7.847909
  H      -6.844948      3.752389      9.036030
  H      -5.765779      1.587524      5.434636
  H      -6.133559      0.373461      6.674207
  H      -7.650130      2.067056      4.955336
  H     -10.139825      3.848354      3.502101
  N      -1.408764      3.762471      4.469160
  H      -1.085980      4.608200      4.944421
  H      -1.941237      4.065374      3.649330
  H      -0.592647      3.251468      4.128293
96
Coordinates from ORCA-job orca E -6661.815620188703
  N      -1.491193      1.060643      5.162161
  Mo     -2.845650      2.417895      5.836552
  N      -4.166287      1.234635      6.711656
  C      -3.838543      0.480211      7.914920
  C      -2.332187      0.327319      7.973899
  N      -1.698754      1.635167      7.621859
  C      -0.287587      1.443667      7.201332
  C      -0.293020      0.686755      5.879178
  C      -1.788416      2.580383      8.771444
  C      -1.812226      3.986873      8.207629
  N      -2.748133      3.969917      7.102903
  H       0.629254      0.918428      5.309319
  H      -0.266834     -0.407187      6.062400
  H       0.159121      2.440258      7.087840
  H       0.273811      0.903519      7.983771
  H      -2.125634      4.697979      8.989718
  H      -0.801022      4.300563      7.881383
  H      -2.740527      2.389626      9.282006
  H      -0.960436      2.393770      9.476592
  H      -4.305789     -0.522751      7.884265
  H      -4.231181      0.983200      8.815370
  H      -2.004824     -0.409746      7.232477
  H      -1.984527      0.002068      8.968982
  C      -4.597860     -2.250669     -2.473025
  C      -5.080712     -1.030075     -1.723016
  O      -5.980673     -0.336710     -2.209593
  C      -4.484336     -0.653548     -0.411028
  C      -5.019973      0.490146      0.215562
  C      -4.566876      0.963944      1.435566
  O      -5.148970      2.073151      1.960676
  C      -3.495861      0.283773      2.108074
  C      -2.996347      0.744901      3.354216
  O      -3.514600      1.787801      3.945658
  C      -1.881985      0.127880      4.128973
  C      -2.960584     -0.872525      1.479256
  C      -3.432130     -1.336841      0.261039
  O      -2.887748     -2.463162     -0.308803
  C      -9.786502      8.883067      4.970431
  C      -9.120383      7.856657      4.094092
  O      -9.617594      7.615993      2.955010
  C      -7.953671      7.135614      4.561942
  C      -7.368243      7.376669      5.828730
  C      -6.282661      6.656678      6.284486
  O      -5.736592      6.886774      7.525200
  C      -5.712968      5.617671      5.482420
  C      -4.649277      4.773332      5.931223
  O      -4.286836      3.762377      5.203339
  C      -3.832633      4.929449      7.173782
  C      -6.290273      5.381736      4.208703
  C      -7.370385      6.116000      3.740026
  O      -7.882976      5.839651      2.523952
  C     -11.684401      5.091121      4.160978
  C     -10.962444      5.298951      5.475855
  O     -11.368039      6.177151      6.244738
  C      -9.786477      4.461169      5.850369
  C      -9.265177      4.684220      7.137587
  C      -8.166189      3.995769      7.631234
  O      -7.714269      4.279678      8.873210
  C      -7.518652      3.020687      6.806453
  C      -6.320282      2.356930      7.297541
  O      -5.870785      2.606972      8.447528
  C      -5.584136      1.333569      6.424988
  C      -8.044125      2.792554      5.519540
  C      -9.145929      3.485647      5.032458
  O      -9.519328      3.151240      3.758335
  H      -3.525274     -2.173469     -2.701677
  H      -5.175269     -2.337078     -3.400205
  H      -4.717418     -3.159489     -1.866230
  H      -5.827851      1.016322     -0.293760
  H      -4.699764      2.249705      2.829829
  H      -2.265216     -0.817806      4.587383
  H      -1.032694     -0.172356      3.486118
  H      -2.159208     -1.426739      1.974819
  H      -2.197021     -2.798733      0.290169
  H     -10.276221      8.380418      5.820707
  H      -9.068391      9.609720      5.375538
  H     -10.549540      9.408570      4.385574
  H      -7.802230      8.136057      6.482625
  H      -6.322819      7.501426      8.002392
  H      -3.470008      5.969134      7.277870
  H      -4.467097      4.744470      8.064581
  H      -5.888637      4.587907      3.580791
  H      -8.656811      6.502925      2.429149
  H     -11.072652      5.477591      3.325270
  H     -11.926732      4.033800      3.977394
  H     -12.610274      5.677248      4.177123
  H      -9.746870      5.439315      7.758686
  H      -6.905814      3.677438      8.983845
  H      -5.708310      1.596141      5.367651
  H      -6.091219      0.358035      6.577664
  H      -7.574656      2.081134      4.841654
  H     -10.043528      3.868901      3.362082
  N      -1.370410      3.837997      4.525418
  H      -1.054563      4.673250      5.023673
  H      -1.895497      4.160368      3.707814
  H      -0.549279      3.338195      4.179828
96
Coordinates from ORCA-job orca E -6661.816103005523
  N      -1.447541      1.105509      5.150674
  Mo     -2.819769      2.438615      5.844679
  N      -4.144572      1.236611      6.686832
  C      -3.831073      0.471772      7.886346
  C      -2.325642      0.317733      7.957968
  N      -1.688545      1.629914      7.628361
  C      -0.274147      1.446843      7.214693
  C      -0.267351      0.706685      5.885027
  C      -1.786074      2.559452      8.790556
  C      -1.810876      3.973858      8.246927
  N      -2.741555      3.968179      7.137148
  H       0.669291      0.930031      5.335549
  H      -0.259895     -0.390211      6.054422
  H       0.168418      2.446736      7.113778
  H       0.284939      0.901030      7.994857
  H      -2.129524      4.673948      9.036679
  H      -0.798963      4.294425      7.929257
  H      -2.740972      2.359984      9.293343
  H      -0.961336      2.364311      9.497141
  H      -4.299249     -0.530103      7.843301
  H      -4.231885      0.968308      8.787491
  H      -1.993166     -0.409611      7.209198
  H      -1.987956     -0.021612      8.951827
  C      -4.740513     -2.296805     -2.382501
  C      -5.232161     -1.092434     -1.612197
  O      -6.193199     -0.447299     -2.045838
  C      -4.580600     -0.680275     -0.337094
  C      -5.130281      0.443915      0.311322
  C      -4.629386      0.951121      1.499109
  O      -5.231721      2.039764      2.044708
  C      -3.497380      0.319647      2.119341
  C      -2.957123      0.804230      3.339468
  O      -3.462717      1.855348      3.927642
  C      -1.819842      0.197477      4.091176
  C      -2.947959     -0.818108      1.468325
  C      -3.463396     -1.310860      0.279560
  O      -2.898895     -2.413993     -0.316468
  C      -9.788421      8.871855      4.996948
  C      -9.090597      7.878362      4.107721
  O      -9.561991      7.661228      2.952911
  C      -7.927743      7.155988      4.582823
  C      -7.367983      7.373526      5.866045
  C      -6.284847      6.651194      6.325031
  O      -5.759497      6.858786      7.578917
  C      -5.694714      5.632172      5.511841
  C      -4.634669      4.784249      5.961463
  O      -4.260461      3.786612      5.220122
  C      -3.831473      4.922136      7.214508
  C      -6.247187      5.419811      4.223073
  C      -7.321889      6.159016      3.750777
  O      -7.808447      5.907854      2.518544
  C     -11.651688      5.064630      4.055535
  C     -10.955174      5.261509      5.384999
  O     -11.389729      6.116991      6.163998
  C      -9.774237      4.433029      5.765695
  C      -9.278787      4.641294      7.065454
  C      -8.181288      3.956656      7.567428
  O      -7.754287      4.228447      8.820919
  C      -7.509765      2.999671      6.740011
  C      -6.316862      2.335533      7.244632
  O      -5.890783      2.570404      8.406997
  C      -5.558469      1.327095      6.375345
  C      -8.008760      2.787844      5.439565
  C      -9.108491      3.478501      4.943593
  O      -9.456154      3.161151      3.657415
  H      -3.688404     -2.173772     -2.676694
  H      -5.368882     -2.416848     -3.272176
  H      -4.782009     -3.204816     -1.764248
  H      -5.987432      0.929435     -0.156522
  H      -4.735983      2.255552      2.879419
  H      -2.151779     -0.783247      4.511171
  H      -0.968218     -0.038905      3.421889
  H      -2.094027     -1.331127      1.918948
  H      -2.158556     -2.711047      0.242562
  H     -10.288030      8.339399      5.822813
  H      -9.087767      9.596225      5.435851
  H     -10.546733      9.403456      4.411481
  H      -7.819120      8.115552      6.528213
  H      -6.357018      7.458922      8.060579
  H      -3.473251      5.960927      7.341641
  H      -4.474124      4.717827      8.095540
  H      -5.829294      4.641548      3.585962
  H      -8.585730      6.567340      2.423945
  H     -11.028070      5.465252      3.235502
  H     -11.881197      4.007231      3.856362
  H     -12.582380      5.643202      4.061515
  H      -9.779474      5.381346      7.689740
  H      -6.938744      3.636548      8.936512
  H      -5.666808      1.597682      5.318787
  H      -6.060468      0.346359      6.509770
  H      -7.520623      2.092086      4.758539
  H      -9.976847      3.881596      3.261424
  N      -1.342077      3.894977      4.575105
  H      -1.029440      4.718003      5.095372
  H      -1.863209      4.235679      3.762294
  H      -0.519038      3.402920      4.222927
96
Coordinates from ORCA-job orca E -6661.816327200637
  N      -1.412519      1.144244      5.138482
  Mo     -2.799296      2.458718      5.850883
  N      -4.120653      1.241025      6.674272
  C      -3.810913      0.474293      7.873528
  C      -2.305163      0.319100      7.947349
  N      -1.668653      1.634343      7.628716
  C      -0.253776      1.460592      7.211779
  C      -0.245098      0.725395      5.881688
  C      -1.766064      2.553158      8.799903
  C      -1.801332      3.972585      8.270153
  N      -2.734961      3.970988      7.162533
  H       0.701418      0.933469      5.342978
  H      -0.257294     -0.372481      6.047510
  H       0.179902      2.464678      7.111334
  H       0.312357      0.917344      7.988618
  H      -2.121774      4.663490      9.067217
  H      -0.792488      4.302550      7.952182
  H      -2.717677      2.344667      9.305276
  H      -0.937310      2.355394      9.501039
  H      -4.280383     -0.526825      7.829810
  H      -4.212356      0.971078      8.774539
  H      -1.972244     -0.402688      7.193132
  H      -1.969899     -0.028446      8.939136
  C      -4.879037     -2.331687     -2.290665
  C      -5.384567     -1.153876     -1.488586
  O      -6.392202     -0.548643     -1.871993
  C      -4.681395     -0.709290     -0.252669
  C      -5.242516      0.392733      0.424419
  C      -4.698443      0.926747      1.580687
  O      -5.316593      1.990862      2.157854
  C      -3.512702      0.342082      2.143095
  C      -2.939309      0.842074      3.340340
  O      -3.444224      1.888886      3.940238
  C      -1.769524      0.255226      4.059288
  C      -2.949852     -0.771905      1.462735
  C      -3.505114     -1.288139      0.302327
  O      -2.923525     -2.364859     -0.325420
  C      -9.799823      8.863686      5.058441
  C      -9.082592      7.897052      4.154692
  O      -9.528960      7.712291      2.984586
  C      -7.920592      7.172560      4.628290
  C      -7.379382      7.363601      5.923574
  C      -6.296671      6.638126      6.378603
  O      -5.785858      6.820221      7.642351
  C      -5.690796      5.641009      5.550328
  C      -4.630818      4.789829      5.995034
  O      -4.247342      3.805351      5.240801
  C      -3.835159      4.912769      7.253862
  C      -6.225566      5.454367      4.250318
  C      -7.297860      6.199507      3.781545
  O      -7.767352      5.974292      2.537423
  C     -11.560333      5.066743      3.888202
  C     -10.921772      5.229192      5.250529
  O     -11.395021      6.058041      6.035025
  C      -9.744840      4.403732      5.652739
  C      -9.290508      4.593327      6.970264
  C      -8.202666      3.907952      7.492851
  O      -7.815768      4.160676      8.763308
  C      -7.500914      2.969080      6.670105
  C      -6.317081      2.306392      7.198705
  O      -5.916933      2.539358      8.370541
  C      -5.530816      1.311073      6.340206
  C      -7.958708      2.776046      5.351803
  C      -9.047470      3.468754      4.834625
  O      -9.355630      3.170046      3.534211
  H      -3.851252     -2.158774     -2.640612
  H      -5.548497     -2.478233     -3.145905
  H      -4.845078     -3.242492     -1.676026
  H      -6.144870      0.838421      0.003884
  H      -4.776172      2.239203      2.955604
  H      -2.043673     -0.754304      4.446793
  H      -0.920304      0.083343      3.364557
  H      -2.049000     -1.243812      1.864685
  H      -2.139339     -2.625167      0.190763
  H     -10.305589      8.306300      5.863900
  H      -9.110258      9.582134      5.524321
  H     -10.554915      9.404016      4.476718
  H      -7.843219      8.087462      6.597061
  H      -6.392385      7.404284      8.132464
  H      -3.488013      5.952621      7.402659
  H      -4.479590      4.684133      8.127513
  H      -5.795687      4.692283      3.601735
  H      -8.550168      6.627448      2.449550
  H     -10.902895      5.488515      3.105895
  H     -11.777495      4.013998      3.653258
  H     -12.491683      5.643987      3.868906
  H      -9.815427      5.318531      7.592275
  H      -7.003313      3.568409      8.895783
  H      -5.627214      1.579277      5.281832
  H      -6.020770      0.323122      6.466406
  H      -7.445738      2.095551      4.673269
  H      -9.868235      3.894185      3.134367
  N      -1.337516      3.947049      4.604260
  H      -1.021188      4.759905      5.138227
  H      -1.863453      4.303540      3.801095
  H      -0.516401      3.462089      4.237230
96
Coordinates from ORCA-job orca E -6661.816388921373
  N      -1.408625      1.152643      5.131404
  Mo     -2.795601      2.468103      5.846977
  N      -4.121222      1.253212      6.665335
  C      -3.816333      0.488262      7.866802
  C      -2.311314      0.322158      7.940422
  N      -1.668474      1.633938      7.624722
  C      -0.255120      1.456875      7.204713
  C      -0.251903      0.715803      5.879480
  C      -1.758933      2.549568      8.798666
  C      -1.795455      3.970774      8.273147
  N      -2.731153      3.972372      7.167496
  H       0.701147      0.903710      5.344863
  H      -0.285128     -0.381124      6.049963
  H       0.176638      2.460972      7.096410
  H       0.315193      0.918015      7.981335
  H      -2.114229      4.659434      9.072533
  H      -0.787740      4.302048      7.953408
  H      -2.707528      2.341664      9.309168
  H      -0.926964      2.348584      9.494819
  H      -4.293675     -0.509178      7.828849
  H      -4.212855      0.991798      8.765836
  H      -1.984514     -0.400191      7.184020
  H      -1.978165     -0.029660      8.931121
  C      -4.883841     -2.384160     -2.261361
  C      -5.403050     -1.210443     -1.462350
  O      -6.430112     -0.631580     -1.834441
  C      -4.692592     -0.743515     -0.240095
  C      -5.265203      0.351742      0.438801
  C      -4.716612      0.902493      1.584593
  O      -5.348785      1.956771      2.164936
  C      -3.514435      0.342205      2.136094
  C      -2.937710      0.853203      3.326526
  O      -3.452643      1.895078      3.928274
  C      -1.751780      0.281944      4.033650
  C      -2.939354     -0.763641      1.453138
  C      -3.498468     -1.296290      0.302466
  O      -2.903799     -2.364034     -0.327573
  C      -9.796415      8.871823      5.107931
  C      -9.060111      7.939078      4.183960
  O      -9.501237      7.772447      3.009502
  C      -7.896593      7.211654      4.649924
  C      -7.367075      7.377295      5.953340
  C      -6.288165      6.643602      6.403263
  O      -5.785557      6.802353      7.673131
  C      -5.677848      5.660038      5.563182
  C      -4.624716      4.799131      6.005256
  O      -4.241088      3.820172      5.244803
  C      -3.836151      4.907419      7.269498
  C      -6.200248      5.498294      4.255126
  C      -7.265095      6.256292      3.789447
  O      -7.718524      6.059251      2.534364
  C     -11.580504      5.044366      3.863487
  C     -10.945790      5.203895      5.228027
  O     -11.429741      6.020364      6.018349
  C      -9.759186      4.390263      5.626480
  C      -9.311246      4.577238      6.946284
  C      -8.218290      3.900324      7.469071
  O      -7.837166      4.151716      8.741164
  C      -7.505899      2.971552      6.644701
  C      -6.322023      2.312627      7.177734
  O      -5.937337      2.534511      8.356516
  C      -5.529701      1.318404      6.323830
  C      -7.954943      2.783166      5.323051
  C      -9.047701      3.468789      4.805111
  O      -9.344998      3.175829      3.501377
  H      -3.865896     -2.191365     -2.628560
  H      -5.562609     -2.553366     -3.104761
  H      -4.820394     -3.288004     -1.639138
  H      -6.181925      0.776878      0.028748
  H      -4.799987      2.221828      2.951193
  H      -1.992004     -0.743725      4.397761
  H      -0.902427      0.150624      3.329055
  H      -2.023554     -1.214319      1.844670
  H      -2.107741     -2.605840      0.178994
  H     -10.294788      8.285696      5.896783
  H      -9.120790      9.590002      5.593478
  H     -10.558771      9.413127      4.536971
  H      -7.836507      8.087947      6.636501
  H      -6.394199      7.377769      8.170537
  H      -3.495145      5.946346      7.436134
  H      -4.483871      4.661129      8.135912
  H      -5.766110      4.747494      3.597041
  H      -8.489944      6.725226      2.445555
  H     -10.922048      5.469217      3.084115
  H     -11.794497      3.991735      3.626095
  H     -12.512921      5.619506      3.843322
  H      -9.845842      5.292956      7.570674
  H      -7.015731      3.572145      8.871123
  H      -5.623170      1.582218      5.264245
  H      -6.017002      0.329345      6.451436
  H      -7.433820      2.111093      4.642456
  H      -9.860924      3.897944      3.102678
  N      -1.339211      3.964618      4.611477
  H      -1.011203      4.767422      5.153048
  H      -1.869206      4.334831      3.818158
  H      -0.525819      3.477060      4.231380
96
Coordinates from ORCA-job orca E -6661.816554255937
  N      -1.413211      1.139304      5.133291
  Mo     -2.799262      2.459272      5.847918
  N      -4.125680      1.251608      6.679547
  C      -3.817841      0.496544      7.886462
  C      -2.313821      0.325589      7.956886
  N      -1.666911      1.632581      7.628952
  C      -0.255246      1.447685      7.204886
  C      -0.255135      0.705694      5.880544
  C      -1.747010      2.556719      8.797771
  C      -1.788199      3.974269      8.262358
  N      -2.733812      3.967620      7.166112
  H       0.696019      0.896602      5.343523
  H      -0.283696     -0.391541      6.051594
  H       0.179309      2.450246      7.092752
  H       0.314531      0.909280      7.982419
  H      -2.099033      4.669060      9.059717
  H      -0.783052      4.302349      7.931008
  H      -2.690700      2.352638      9.319050
  H      -0.908801      2.359197      9.487434
  H      -4.299236     -0.499324      7.859780
  H      -4.209462      1.010066      8.782051
  H      -1.990779     -0.404522      7.206533
  H      -1.978550     -0.017565      8.949924
  C      -4.875072     -2.367171     -2.278818
  C      -5.378736     -1.178703     -1.491750
  O      -6.396970     -0.589008     -1.871286
  C      -4.677261     -0.723433     -0.259534
  C      -5.239109      0.383091      0.409887
  C      -4.698278      0.924302      1.564173
  O      -5.320154      1.990625      2.133312
  C      -3.513566      0.343335      2.132429
  C      -2.940010      0.846304      3.328212
  O      -3.447541      1.889076      3.933541
  C      -1.757984      0.267651      4.036017
  C      -2.949648     -0.774117      1.459488
  C      -3.502069     -1.298296      0.301668
  O      -2.918123     -2.378289     -0.317910
  C      -9.802118      8.861009      5.102445
  C      -9.074923      7.916183      4.183466
  O      -9.525103      7.739206      3.013278
  C      -7.911325      7.189150      4.648031
  C      -7.371457      7.368367      5.945372
  C      -6.290283      6.638132      6.394933
  O      -5.779167      6.810731      7.659753
  C      -5.686104      5.645316      5.560006
  C      -4.630168      4.788756      6.003473
  O      -4.248045      3.805490      5.246012
  C      -3.836526      4.905485      7.263531
  C      -6.220137      5.469170      4.258623
  C      -7.290004      6.221118      3.793861
  O      -7.758861      6.006655      2.547448
  C     -11.571641      5.051200      3.865224
  C     -10.940455      5.211628      5.231277
  O     -11.436118      6.017850      6.024979
  C      -9.750908      4.403119      5.632039
  C      -9.307092      4.589958      6.953281
  C      -8.214434      3.914362      7.479389
  O      -7.835012      4.167807      8.751089
  C      -7.500837      2.983647      6.657229
  C      -6.323585      2.317554      7.195126
  O      -5.943742      2.534555      8.377222
  C      -5.535769      1.316559      6.345594
  C      -7.943909      2.798010      5.332914
  C      -9.033719      3.485171      4.811435
  O      -9.322878      3.197079      3.504485
  H      -3.850486     -2.195905     -2.638243
  H      -5.549901     -2.528391     -3.127061
  H      -4.833205     -3.268463     -1.650907
  H      -6.141842      0.824722     -0.013833
  H      -4.779840      2.245260      2.928999
  H      -2.003874     -0.755200      4.404070
  H      -0.910469      0.129878      3.330438
  H      -2.048399     -1.241672      1.865249
  H      -2.134132     -2.633112      0.201171
  H     -10.296034      8.285762      5.902432
  H      -9.121220      9.583110      5.574897
  H     -10.567334      9.397685      4.530893
  H      -7.833885      8.088095      6.624009
  H      -6.383197      7.393911      8.153921
  H      -3.492045      5.944780      7.420158
  H      -4.482221      4.668321      8.134040
  H      -5.793392      4.708723      3.606295
  H      -8.533801      6.670006      2.460891
  H     -10.914329      5.480740      3.087369
  H     -11.779168      3.997620      3.625213
  H     -12.507447      5.620826      3.844645
  H      -9.845121      5.304342      7.576441
  H      -7.011659      3.589445      8.881804
  H      -5.635325      1.571103      5.284775
  H      -6.022194      0.328479      6.484162
  H      -7.420802      2.126242      4.653600
  H      -9.837317      3.920594      3.106192
  N      -1.353593      3.956105      4.602745
  H      -1.014692      4.754385      5.144428
  H      -1.889805      4.333654      3.816799
  H      -0.546597      3.465934      4.212088
96
Coordinates from ORCA-job orca E -6661.816563346739
  N      -1.432193      1.102864      5.153316
  Mo     -2.808298      2.437429      5.858707
  N      -4.129592      1.249300      6.723987
  C      -3.808606      0.517841      7.942737
  C      -2.304573      0.339842      7.997119
  N      -1.656692      1.638818      7.641579
  C      -0.250296      1.443542      7.203657
  C      -0.269557      0.673554      5.895375
  C      -1.721235      2.581863      8.795903
  C      -1.771485      3.990769      8.237881
  N      -2.727661      3.966408      7.151179
  H       0.677943      0.843464      5.345038
  H      -0.308008     -0.419492      6.089800
  H       0.183157      2.443147      7.064442
  H       0.330142      0.920669      7.983834
  H      -2.076106      4.697110      9.027496
  H      -0.770621      4.315655      7.891389
  H      -2.656133      2.384750      9.335246
  H      -0.872620      2.397280      9.476279
  H      -4.295912     -0.475421      7.944612
  H      -4.184725      1.052524      8.832427
  H      -1.994912     -0.402568      7.253477
  H      -1.958944      0.009338      8.990964
  C      -4.871224     -2.274299     -2.328182
  C      -5.358229     -1.082082     -1.535758
  O      -6.344476     -0.451877     -1.934776
  C      -4.665922     -0.659306     -0.287899
  C      -5.207759      0.456430      0.384017
  C      -4.674663      0.965932      1.555562
  O      -5.273670      2.043068      2.130600
  C      -3.516558      0.347184      2.137111
  C      -2.950664      0.826738      3.345772
  O      -3.451011      1.867810      3.962322
  C      -1.783502      0.229392      4.057963
  C      -2.971610     -0.778110      1.461320
  C      -3.517861     -1.273896      0.287849
  O      -2.954421     -2.364049     -0.332324
  C      -9.792441      8.850308      5.036746
  C      -9.064898      7.894313      4.129530
  O      -9.504910      7.715159      2.956285
  C      -7.906872      7.165455      4.607135
  C      -7.372043      7.353697      5.905007
  C      -6.295514      6.623638      6.366437
  O      -5.790555      6.805726      7.632454
  C      -5.690993      5.621630      5.542276
  C      -4.636527      4.766979      5.994147
  O      -4.258672      3.773600      5.248084
  C      -3.838616      4.895472      7.251362
  C      -6.221106      5.435208      4.240824
  C      -7.286046      6.187209      3.764459
  O      -7.751368      5.962315      2.518544
  C     -11.568455      5.023539      3.886122
  C     -10.940870      5.197226      5.252474
  O     -11.435759      6.013052      6.036699
  C      -9.751946      4.392080      5.661812
  C      -9.301413      4.599642      6.977548
  C      -8.210241      3.927737      7.511137
  O      -7.829671      4.195632      8.779711
  C      -7.503272      2.981346      6.701243
  C      -6.325359      2.320360      7.244569
  O      -5.926710      2.571338      8.413459
  C      -5.543899      1.304380      6.406213
  C      -7.954373      2.773106      5.383262
  C      -9.044265      3.454981      4.854737
  O      -9.342805      3.142975      3.555554
  H      -3.833807     -2.128305     -2.661338
  H      -5.530007     -2.404443     -3.194084
  H      -4.870410     -3.184662     -1.712108
  H      -6.089196      0.929143     -0.050745
  H      -4.741259      2.264246      2.941458
  H      -2.050551     -0.786705      4.431496
  H      -0.932754      0.073238      3.361346
  H      -2.092114     -1.275643      1.878975
  H      -2.190187     -2.649447      0.199879
  H     -10.289109      8.284520      5.841458
  H      -9.111367      9.576182      5.503084
  H     -10.554999      9.382278      4.457377
  H      -7.834067      8.082248      6.574550
  H      -6.397175      7.392125      8.119653
  H      -3.503552      5.937459      7.404874
  H      -4.479794      4.653272      8.124008
  H      -5.794981      4.666721      3.597369
  H      -8.522249      6.628889      2.422995
  H     -10.905796      5.439050      3.105388
  H     -11.781056      3.968145      3.658644
  H     -12.501031      5.597952      3.855588
  H      -9.835039      5.325081      7.591583
  H      -7.015670      3.607100      8.921897
  H      -5.657422      1.533592      5.341295
  H      -6.025049      0.318408      6.573915
  H      -7.437641      2.087585      4.713208
  H      -9.857182      3.860457      3.146463
  N      -1.382112      3.920372      4.576502
  H      -1.025010      4.718802      5.105903
  H      -1.935222      4.297997      3.802188
  H      -0.587839      3.423603      4.168468
96
Coordinates from ORCA-job orca E -6661.816699023185
  N      -1.426347      1.121812      5.137134
  Mo     -2.806991      2.447818      5.855658
  N      -4.128611      1.256676      6.718932
  C      -3.806922      0.522617      7.934964
  C      -2.303388      0.341292      7.986715
  N      -1.652505      1.639847      7.634635
  C      -0.246958      1.443480      7.194505
  C      -0.264790      0.688225      5.878191
  C      -1.710861      2.578235      8.793568
  C      -1.766086      3.988842      8.240267
  N      -2.731794      3.965955      7.163296
  H       0.682092      0.868994      5.330172
  H      -0.297451     -0.407401      6.060480
  H       0.189332      2.443176      7.064449
  H       0.330550      0.912270      7.971209
  H      -2.062507      4.693672      9.034452
  H      -0.767878      4.313552      7.885232
  H      -2.642081      2.378190      9.338276
  H      -0.857749      2.390694      9.467457
  H      -4.296521     -0.469568      7.934766
  H      -4.181400      1.056138      8.826320
  H      -1.995100     -0.399952      7.241148
  H      -1.957001      0.008229      8.979499
  C      -4.871404     -2.324251     -2.310906
  C      -5.372340     -1.139252     -1.516782
  O      -6.364486     -0.518987     -1.916037
  C      -4.677710     -0.700617     -0.274672
  C      -5.229476      0.412320      0.392474
  C      -4.696605      0.937120      1.558048
  O      -5.305996      2.012284      2.125038
  C      -3.528290      0.335658      2.136642
  C      -2.960370      0.829587      3.338746
  O      -3.470558      1.867148      3.947862
  C      -1.769480      0.255795      4.034766
  C      -2.972958     -0.787309      1.466065
  C      -3.518905     -1.297435      0.298603
  O      -2.944836     -2.384915     -0.316485
  C      -9.800528      8.858632      5.090406
  C      -9.074434      7.907337      4.177268
  O      -9.513292      7.739318      3.001356
  C      -7.914920      7.177454      4.646692
  C      -7.377195      7.357631      5.944789
  C      -6.299074      6.625388      6.398577
  O      -5.793199      6.799384      7.665286
  C      -5.695507      5.628896      5.566267
  C      -4.639964      4.772833      6.011366
  O      -4.262526      3.783412      5.258492
  C      -3.838812      4.897643      7.266202
  C      -6.228220      5.452299      4.264460
  C      -7.294548      6.206714      3.795541
  O      -7.763388      5.991692      2.549376
  C     -11.529970      5.049311      3.829326
  C     -10.928448      5.202551      5.209514
  O     -11.435833      6.010177      5.994457
  C      -9.744608      4.394974      5.627524
  C      -9.307900      4.593333      6.949374
  C      -8.221195      3.919320      7.489617
  O      -7.851363      4.181567      8.761973
  C      -7.505202      2.978131      6.680487
  C      -6.332367      2.314412      7.230538
  O      -5.947981      2.552884      8.407439
  C      -5.541442      1.304864      6.394496
  C      -7.944604      2.777451      5.357050
  C      -9.029032      3.462717      4.822366
  O      -9.315583      3.158716      3.518313
  H      -3.836900     -2.164424     -2.646685
  H      -5.530892     -2.462543     -3.175074
  H      -4.856228     -3.234676     -1.695373
  H      -6.118397      0.872005     -0.041112
  H      -4.776591      2.250846      2.932087
  H      -2.007986     -0.769651      4.402090
  H      -0.926071      0.125035      3.323742
  H      -2.086369     -1.272533      1.883175
  H      -2.173445     -2.655623      0.213294
  H     -10.296816      8.289612      5.893223
  H      -9.118672      9.581694      5.560276
  H     -10.563109      9.394351      4.514591
  H      -7.838611      8.080838      6.620478
  H      -6.398182      7.384904      8.155453
  H      -3.499215      5.938596      7.419082
  H      -4.479070      4.657995      8.140457
  H      -5.802754      4.689031      3.614256
  H      -8.535378      6.658800      2.461305
  H     -10.852668      5.474417      3.066608
  H     -11.738956      3.997418      3.582925
  H     -12.461375      5.625043      3.789785
  H      -9.848311      5.314652      7.562403
  H      -7.039246      3.590611      8.909168
  H      -5.650862      1.535352      5.329308
  H      -6.016872      0.315363      6.558495
  H      -7.421564      2.096749      4.687135
  H      -9.825941      3.879072      3.109206
  N      -1.395095      3.947675      4.582695
  H      -1.026841      4.733865      5.122822
  H      -1.955414      4.342713      3.822277
  H      -0.608400      3.452813      4.157806
96
Coordinates from ORCA-job orca E -6661.816738269951
  N      -1.430972      1.112866      5.143860
  Mo     -2.804973      2.446207      5.862857
  N      -4.128599      1.268518      6.737096
  C      -3.805249      0.543654      7.958622
  C      -2.301908      0.350613      8.001047
  N      -1.644850      1.643536      7.639698
  C      -0.242894      1.439259      7.192371
  C      -0.274787      0.667817      5.886318
  C      -1.693367      2.588292      8.793539
  C      -1.747269      3.996388      8.233067
  N      -2.716209      3.971971      7.158625
  H       0.674717      0.823014      5.334869
  H      -0.328586     -0.424591      6.082745
  H       0.194423      2.436483      7.047050
  H       0.340327      0.915486      7.969760
  H      -2.039266      4.705755      9.024864
  H      -0.749407      4.316711      7.873281
  H      -2.621343      2.393408      9.345131
  H      -0.836475      2.402755      9.463232
  H      -4.302895     -0.444397      7.971927
  H      -4.168680      1.088897      8.847435
  H      -2.005109     -0.394720      7.254652
  H      -1.951967      0.016328      8.992261
  C      -4.884753     -2.309621     -2.309817
  C      -5.389758     -1.131527     -1.507714
  O      -6.403514     -0.532504     -1.884824
  C      -4.691525     -0.695237     -0.267494
  C      -5.255184      0.401499      0.417172
  C      -4.718955      0.922707      1.582351
  O      -5.339693      1.981361      2.168215
  C      -3.535960      0.334118      2.144367
  C      -2.965304      0.824453      3.346649
  O      -3.480335      1.854037      3.966579
  C      -1.768870      0.254987      4.033247
  C      -2.969353     -0.772828      1.456302
  C      -3.518191     -1.279381      0.288631
  O      -2.933672     -2.351613     -0.342873
  C      -9.802073      8.847114      5.117707
  C      -9.073427      7.905181      4.196637
  O      -9.521336      7.731115      3.025703
  C      -7.908176      7.179583      4.660381
  C      -7.365754      7.360256      5.956299
  C      -6.285232      6.629131      6.406371
  O      -5.775243      6.800819      7.671534
  C      -5.684095      5.633957      5.572039
  C      -4.630001      4.775317      6.015688
  O      -4.256986      3.783635      5.264759
  C      -3.828724      4.896927      7.270977
  C      -6.220423      5.456986      4.271696
  C      -7.288875      6.210601      3.806404
  O      -7.760556      5.994492      2.561234
  C     -11.526856      5.033438      3.786500
  C     -10.929379      5.192515      5.168013
  O     -11.443793      5.998142      5.949982
  C      -9.745854      4.387688      5.593677
  C      -9.319525      4.588128      6.918584
  C      -8.233671      3.919421      7.466540
  O      -7.868564      4.190094      8.738989
  C      -7.509617      2.979391      6.664511
  C      -6.340403      2.319327      7.227461
  O      -5.981420      2.546374      8.413893
  C      -5.539654      1.307418      6.403092
  C      -7.936654      2.777726      5.337496
  C      -9.019108      3.459348      4.793446
  O      -9.290584      3.156757      3.486231
  H      -3.857811     -2.134769     -2.661116
  H      -5.555008     -2.457210     -3.164091
  H      -4.847881     -3.220084     -1.694951
  H      -6.155357      0.851365     -0.003355
  H      -4.804699      2.218906      2.972291
  H      -1.995024     -0.777494      4.388005
  H      -0.923372      0.142101      3.321434
  H      -2.070824     -1.247424      1.859808
  H      -2.154495     -2.617735      0.177634
  H     -10.280565      8.271766      5.926760
  H      -9.124571      9.579999      5.578618
  H     -10.578786      9.371786      4.550587
  H      -7.826439      8.081864      6.634253
  H      -6.381383      7.380827      8.166771
  H      -3.496939      5.938865      7.433237
  H      -4.467372      4.644038      8.142777
  H      -5.796793      4.694014      3.620256
  H      -8.532511      6.660856      2.473484
  H     -10.842786      5.446542      3.023218
  H     -11.744585      3.981392      3.548297
  H     -12.453305      5.616570      3.738742
  H      -9.865555      5.309263      7.526927
  H      -7.047601      3.613515      8.888152
  H      -5.641599      1.528737      5.334778
  H      -6.012670      0.317459      6.571631
  H      -7.404928      2.100014      4.671081
  H      -9.794620      3.878263      3.071242
  N      -1.401371      3.941383      4.576054
  H      -1.015271      4.720731      5.113476
  H      -1.973197      4.346235      3.829638
  H      -0.628043      3.441624      4.132556
96
Coordinates from ORCA-job orca E -6661.816812735376
  N      -1.426501      1.113087      5.141028
  Mo     -2.803547      2.444427      5.859310
  N      -4.129790      1.268852      6.734458
  C      -3.807287      0.544193      7.956109
  C      -2.304710      0.349919      8.000499
  N      -1.645188      1.641552      7.638778
  C      -0.242648      1.433981      7.194540
  C      -0.271027      0.668494      5.884917
  C      -1.692894      2.587321      8.792368
  C      -1.748635      3.994665      8.230251
  N      -2.721321      3.967520      7.159896
  H       0.678523      0.830612      5.335705
  H      -0.320426     -0.425128      6.076037
  H       0.198209      2.430310      7.054159
  H       0.335686      0.905843      7.972639
  H      -2.036883      4.705870      9.021782
  H      -0.751767      4.313219      7.865969
  H      -2.619940      2.391824      9.345241
  H      -0.834871      2.402649      9.460796
  H      -4.305979     -0.443242      7.969066
  H      -4.171123      1.089911      8.844436
  H      -2.006762     -0.396823      7.256060
  H      -1.956728      0.017209      8.992938
  C      -4.880693     -2.313221     -2.309085
  C      -5.384113     -1.132476     -1.510085
  O      -6.394164     -0.530103     -1.891455
  C      -4.687478     -0.695496     -0.268764
  C      -5.248464      0.405578      0.410528
  C      -4.713002      0.929238      1.575270
  O      -5.332101      1.992501      2.153718
  C      -3.532897      0.337841      2.141744
  C      -2.959895      0.829152      3.343000
  O      -3.474988      1.857383      3.964207
  C      -1.762414      0.257886      4.028392
  C      -2.969827     -0.774273      1.459280
  C      -3.518131     -1.282691      0.292191
  O      -2.936456     -2.359445     -0.334379
  C      -9.795780      8.851017      5.098749
  C      -9.059812      7.914820      4.177863
  O      -9.495653      7.752846      3.000370
  C      -7.901073      7.182781      4.647149
  C      -7.368523      7.355612      5.948359
  C      -6.292176      6.620937      6.402748
  O      -5.790157      6.786937      7.671982
  C      -5.686604      5.628441      5.568214
  C      -4.633689      4.769837      6.013799
  O      -4.257041      3.779910      5.261551
  C      -3.832970      4.893215      7.269478
  C      -6.214277      5.458037      4.263356
  C      -7.277368      6.216185      3.793303
  O      -7.738606      6.008673      2.542813
  C     -11.542409      5.030352      3.811442
  C     -10.939052      5.189048      5.190401
  O     -11.455175      5.988651      5.977637
  C      -9.750417      4.388537      5.609340
  C      -9.323090      4.584563      6.934493
  C      -8.236050      3.915189      7.479148
  O      -7.875238      4.176328      8.754528
  C      -7.510196      2.980107      6.672318
  C      -6.340852      2.317374      7.231437
  O      -5.973045      2.547845      8.414796
  C      -5.541304      1.308099      6.403045
  C      -7.937844      2.783657      5.344656
  C      -9.022162      3.465278      4.804411
  O      -9.295445      3.165597      3.496717
  H      -3.852068     -2.142515     -2.657352
  H      -5.548834     -2.459395     -3.165239
  H      -4.848753     -3.223012     -1.693057
  H      -6.145663      0.857555     -0.013955
  H      -4.801099      2.231765      2.960012
  H      -1.989752     -0.774972      4.381487
  H      -0.917192      0.145835      3.316138
  H      -2.075000     -1.252037      1.867155
  H      -2.159159     -2.626123      0.188639
  H     -10.285213      8.270955      5.897585
  H      -9.121201      9.577739      5.573586
  H     -10.564312      9.383039      4.527415
  H      -7.832736      8.075123      6.626126
  H      -6.397579      7.367958      8.164492
  H      -3.499650      5.935117      7.429047
  H      -4.472826      4.643928      8.141647
  H      -5.786038      4.698515      3.610862
  H      -8.507268      6.679176      2.451936
  H     -10.865123      5.449370      3.045467
  H     -11.754984      3.977671      3.571474
  H     -12.472586      5.607940      3.770151
  H      -9.871849      5.300030      7.547032
  H      -7.059750      3.591548      8.904562
  H      -5.645922      1.531188      5.335478
  H      -6.012515      0.317344      6.571874
  H      -7.405911      2.109071      4.675233
  H      -9.803071      3.886436      3.085137
  N      -1.406564      3.945814      4.577444
  H      -1.011169      4.716789      5.120117
  H      -1.982131      4.362365      3.840591
  H      -0.639580      3.446751      4.122401
96
Coordinates from ORCA-job orca E -6661.816838903433
  N      -1.437662      1.097423      5.148768
  Mo     -2.810508      2.434342      5.862879
  N      -4.134646      1.270037      6.755975
  C      -3.806316      0.555036      7.981755
  C      -2.304205      0.356960      8.017876
  N      -1.643297      1.644289      7.643331
  C      -0.243418      1.429706      7.194439
  C      -0.279764      0.655044      5.890284
  C      -1.683407      2.599448      8.789647
  C      -1.740957      4.002058      8.216012
  N      -2.719873      3.967482      7.151623
  H       0.667510      0.811355      5.335477
  H      -0.330890     -0.437129      6.088997
  H       0.200145      2.423538      7.045172
  H       0.336600      0.905235      7.973790
  H      -2.023054      4.720625      9.003119
  H      -0.745622      4.315434      7.843057
  H      -2.607151      2.408768      9.349628
  H      -0.821376      2.419717      9.454315
  H      -4.307479     -0.430907      8.006251
  H      -4.163054      1.108752      8.868040
  H      -2.013181     -0.395099      7.276099
  H      -1.951038      0.029390      9.010266
  C      -4.859709     -2.281887     -2.339709
  C      -5.365483     -1.105779     -1.535251
  O      -6.358747     -0.484533     -1.930292
  C      -4.676401     -0.680664     -0.285530
  C      -5.233794      0.422366      0.393638
  C      -4.704422      0.935685      1.565715
  O      -5.317978      2.002614      2.143153
  C      -3.533954      0.332479      2.139386
  C      -2.966099      0.816513      3.346067
  O      -3.482195      1.843315      3.969070
  C      -1.772665      0.242455      4.034762
  C      -2.974318     -0.781491      1.456817
  C      -3.516990     -1.280292      0.282844
  O      -2.939314     -2.359365     -0.343469
  C      -9.791647      8.853316      5.084635
  C      -9.064072      7.904784      4.169652
  O      -9.503776      7.735528      2.994678
  C      -7.906426      7.172180      4.641046
  C      -7.368566      7.352719      5.939013
  C      -6.292882      6.617847      6.394823
  O      -5.786070      6.791039      7.661257
  C      -5.692626      5.618335      5.564651
  C      -4.639570      4.760793      6.011704
  O      -4.265647      3.766520      5.263556
  C      -3.833957      4.889926      7.263956
  C      -6.225785      5.440220      4.262921
  C      -7.288858      6.197736      3.791868
  O      -7.756739      5.982203      2.545192
  C     -11.536457      5.028072      3.817496
  C     -10.936024      5.192207      5.197126
  O     -11.446995      6.002619      5.976775
  C      -9.751047      4.389613      5.621906
  C      -9.317377      4.598370      6.943158
  C      -8.231263      3.929964      7.490733
  O      -7.863491      4.203950      8.761583
  C      -7.512846      2.982846      6.691251
  C      -6.344167      2.321166      7.252836
  O      -5.970677      2.562289      8.432299
  C      -5.547524      1.305338      6.429485
  C      -7.947678      2.772882      5.368053
  C      -9.031664      3.452849      4.824925
  O      -9.314288      3.137529      3.522812
  H      -3.824423     -2.116310     -2.670618
  H      -5.515958     -2.413344     -3.207410
  H      -4.844745     -3.198407     -1.733043
  H      -6.122962      0.884356     -0.037026
  H      -4.793890      2.230914      2.956569
  H      -2.005957     -0.789163      4.388518
  H      -0.925311      0.126360      3.326295
  H      -2.087635     -1.269143      1.870907
  H      -2.169731     -2.636083      0.185744
  H     -10.277723      8.284145      5.893374
  H      -9.111720      9.583314      5.546853
  H     -10.561962      9.381451      4.512040
  H      -7.828339      8.078450      6.613275
  H      -6.390895      7.376183      8.152158
  H      -3.503709      5.933132      7.420411
  H      -4.470064      4.640345      8.139030
  H      -5.802131      4.674958      3.613941
  H      -8.524250      6.653823      2.453526
  H     -10.855026      5.438717      3.050625
  H     -11.753589      3.974884      3.583614
  H     -12.463677      5.610004      3.770196
  H      -9.859722      5.323893      7.549602
  H      -7.049882      3.617400      8.914432
  H      -5.655935      1.519237      5.360637
  H      -6.017275      0.315814      6.609096
  H      -7.422054      2.087922      4.704173
  H      -9.821030      3.855332      3.104698
  N      -1.422220      3.929533      4.564780
  H      -1.009873      4.693263      5.104964
  H      -2.008760      4.355700      3.842180
  H      -0.668458      3.426541      4.092203
96
Coordinates from ORCA-job orca E -6661.816862998300
  N      -1.437238      1.096967      5.149145
  Mo     -2.809124      2.434391      5.863448
  N      -4.134703      1.275042      6.760349
  C      -3.806115      0.561176      7.986630
  C      -2.304359      0.359843      8.020479
  N      -1.640996      1.645263      7.643711
  C      -0.241886      1.426793      7.194695
  C      -0.280621      0.651598      5.890987
  C      -1.678549      2.602417      8.788620
  C      -1.735074      4.003935      8.212238
  N      -2.716521      3.968834      7.150351
  H       0.666915      0.804947      5.335850
  H      -0.335075     -0.440295      6.090250
  H       0.204793      2.419192      7.045155
  H       0.336536      0.900832      7.974183
  H      -2.013163      4.725108      8.998356
  H      -0.739942      4.313777      7.835773
  H      -2.601805      2.413461      9.349901
  H      -0.815747      2.423035      9.452366
  H      -4.309258     -0.423690      8.012934
  H      -4.160527      1.116413      8.872895
  H      -2.016210     -0.393210      7.278523
  H      -1.950499      0.031873      9.012512
  C      -4.865155     -2.282504     -2.337250
  C      -5.369894     -1.106254     -1.532421
  O      -6.370640     -0.492428     -1.919924
  C      -4.679429     -0.681085     -0.283335
  C      -5.239717      0.418256      0.399317
  C      -4.708919      0.931993      1.570606
  O      -5.324878      1.995560      2.151366
  C      -3.534752      0.332393      2.140104
  C      -2.966219      0.816383      3.346498
  O      -3.484844      1.840828      3.971004
  C      -1.769660      0.245016      4.032229
  C      -2.972276     -0.778016      1.454098
  C      -3.516171     -1.277080      0.280810
  O      -2.936197     -2.353051     -0.348700
  C      -9.791461      8.851692      5.090261
  C      -9.063187      7.904979      4.173972
  O      -9.501881      7.737717      2.998435
  C      -7.905032      7.172732      4.644699
  C      -7.367857      7.351645      5.943153
  C      -6.292094      6.616557      6.398402
  O      -5.786411      6.787319      7.665581
  C      -5.691048      5.618601      5.567109
  C      -4.638149      4.760657      6.013416
  O      -4.264332      3.766896      5.264575
  C      -3.831900      4.889132      7.265505
  C      -6.223502      5.442105      4.264797
  C      -7.286440      6.200030      3.794328
  O      -7.753528      5.986154      2.547031
  C     -11.530782      5.028404      3.804911
  C     -10.935266      5.190806      5.186860
  O     -11.449247      6.000033      5.965729
  C      -9.752287      4.387194      5.614992
  C      -9.322639      4.595019      6.937736
  C      -8.237707      3.926861      7.487778
  O      -7.874153      4.199667      8.760196
  C      -7.515662      2.981715      6.689334
  C      -6.346829      2.322094      7.252943
  O      -5.977170      2.561835      8.433796
  C      -5.547006      1.307567      6.430993
  C      -7.947017      2.772077      5.365003
  C      -9.030403      3.451137      4.819523
  O      -9.309634      3.136061      3.516649
  H      -3.832295     -2.114415     -2.674245
  H      -5.525807     -2.417775     -3.201003
  H      -4.844100     -3.197770     -1.728854
  H      -6.131837      0.877372     -0.028247
  H      -4.799886      2.224628      2.963885
  H      -1.999397     -0.788776      4.381832
  H      -0.921742      0.134543      3.323509
  H      -2.082748     -1.262946      1.865207
  H      -2.164237     -2.627871      0.178027
  H     -10.275725      8.281594      5.899388
  H      -9.112054      9.582512      5.551979
  H     -10.563145      9.379034      4.518791
  H      -7.828694      8.075723      6.618428
  H      -6.392246      7.370718      8.157302
  H      -3.503478      5.932620      7.423741
  H      -4.467217      4.636896      8.140470
  H      -5.799166      4.678136      3.614804
  H      -8.521253      6.657459      2.455745
  H     -10.846227      5.438900      3.040771
  H     -11.748232      3.975621      3.569537
  H     -12.457258      5.611269      3.754710
  H      -9.867048      5.319832      7.543138
  H      -7.061643      3.612432      8.915593
  H      -5.653292      1.521308      5.361868
  H      -6.015258      0.317246      6.610085
  H      -7.418645      2.088413      4.701951
  H      -9.815423      3.853829      3.097346
  N      -1.424767      3.931081      4.564098
  H      -0.999093      4.685243      5.107291
  H      -2.017893      4.370099      3.854720
  H      -0.681389      3.427623      4.075806
96
Coordinates from ORCA-job orca E -6661.816883635476
  N      -1.433542      1.096888      5.149105
  Mo     -2.804727      2.434759      5.861901
  N      -4.135478      1.283069      6.760734
  C      -3.809817      0.567858      7.986961
  C      -2.308814      0.361446      8.021029
  N      -1.640232      1.644098      7.643667
  C      -0.241139      1.418773      7.198332
  C      -0.280221      0.646066      5.893181
  C      -1.676365      2.603488      8.787231
  C      -1.727769      4.003777      8.207429
  N      -2.711240      3.970122      7.147548
  H       0.668644      0.797142      5.339814
  H      -0.339264     -0.445927      6.090370
  H       0.212525      2.408578      7.052651
  H       0.331233      0.887566      7.978701
  H      -1.999494      4.729226      8.991784
  H      -0.731702      4.306205      7.827332
  H      -2.601083      2.417993      9.347211
  H      -0.814751      2.422904      9.452191
  H      -4.315967     -0.415485      8.012129
  H      -4.163280      1.123097      8.873594
  H      -2.023225     -0.392548      7.278911
  H      -1.956336      0.032090      9.013119
  C      -4.867246     -2.286488     -2.333105
  C      -5.375699     -1.114525     -1.524508
  O      -6.382709     -0.507334     -1.905916
  C      -4.682015     -0.686084     -0.277918
  C      -5.246804      0.408544      0.408338
  C      -4.713175      0.925857      1.576954
  O      -5.334049      1.984442      2.160923
  C      -3.532400      0.333396      2.140369
  C      -2.961476      0.818739      3.345306
  O      -3.482233      1.840701      3.971756
  C      -1.762093      0.248970      4.028391
  C      -2.965561     -0.772428      1.450592
  C      -3.511789     -1.274285      0.279622
  O      -2.927526     -2.345593     -0.354049
  C      -9.790263      8.848459      5.094287
  C      -9.060038      7.905192      4.176006
  O      -9.497936      7.739700      2.999975
  C      -7.901826      7.172783      4.646314
  C      -7.366577      7.348882      5.945951
  C      -6.290629      6.613685      6.400609
  O      -5.786628      6.780927      7.668966
  C      -5.687503      5.618634      5.567641
  C      -4.634332      4.760739      6.012911
  O      -4.258935      3.769095      5.261888
  C      -3.828490      4.887533      7.265782
  C      -6.218273      5.444486      4.264188
  C      -7.281214      6.202650      3.794355
  O      -7.745828      5.991825      2.545536
  C     -11.540197      5.026571      3.803520
  C     -10.941776      5.190557      5.184026
  O     -11.456733      5.998103      5.964017
  C      -9.758037      4.387716      5.611348
  C      -9.330956      4.592944      6.935425
  C      -8.245088      3.926100      7.484997
  O      -7.883664      4.196747      8.758675
  C      -7.519031      2.985455      6.685066
  C      -6.349999      2.326758      7.249082
  O      -5.986582      2.559574      8.433219
  C      -5.546623      1.315641      6.426084
  C      -7.947135      2.779141      5.359174
  C      -9.031811      3.456438      4.814003
  O      -9.307651      3.144420      3.509658
  H      -3.837282     -2.111376     -2.675264
  H      -5.531454     -2.425371     -3.193566
  H      -4.837224     -3.202165     -1.725695
  H      -6.144440      0.861343     -0.014360
  H      -4.807209      2.217337      2.971388
  H      -1.988975     -0.787369      4.371725
  H      -0.912619      0.145069      3.320347
  H      -2.070685     -1.251550      1.856871
  H      -2.150784     -2.615338      0.168279
  H     -10.272439      8.276611      5.903327
  H      -9.111969      9.580289      5.556161
  H     -10.563646      9.374887      4.524264
  H      -7.829431      8.070306      6.622671
  H      -6.394042      7.361715      8.161845
  H      -3.502387      5.931339      7.426974
  H      -4.463742      4.631799      8.139893
  H      -5.792085      4.682959      3.612625
  H      -8.514001      6.662603      2.454491
  H     -10.857328      5.435939      3.037223
  H     -11.758817      3.973574      3.570129
  H     -12.466665      5.609561      3.754491
  H      -9.877927      5.314952      7.541863
  H      -7.068811      3.612639      8.912991
  H      -5.648457      1.533866      5.357349
  H      -6.014743      0.324343      6.599915
  H      -7.415313      2.099010      4.695183
  H      -9.814341      3.862121      3.091400
  N      -1.421547      3.934411      4.565768
  H      -0.973045      4.669789      5.116183
  H      -2.023601      4.398047      3.880018
  H      -0.696157      3.431789      4.050267
96
Coordinates from ORCA-job orca E -6661.816900002432
  N      -1.436913      1.090956      5.151811
  Mo     -2.805879      2.431721      5.859799
  N      -4.139086      1.288029      6.764821
  C      -3.814155      0.573872      7.991852
  C      -2.313641      0.364229      8.024680
  N      -1.642334      1.644322      7.643700
  C      -0.243644      1.413427      7.200425
  C      -0.284693      0.638273      5.896710
  C      -1.677018      2.607875      8.783988
  C      -1.723458      4.005796      8.198185
  N      -2.708268      3.971986      7.139496
  H       0.664272      0.785701      5.342594
  H      -0.347091     -0.453102      6.095882
  H       0.214845      2.400918      7.054228
  H       0.325444      0.880758      7.982195
  H      -1.989973      4.736578      8.979309
  H      -0.726489      4.300971      7.814759
  H      -2.603088      2.427153      9.343299
  H      -0.816578      2.427327      9.450497
  H      -4.322097     -0.408541      8.018552
  H      -4.166167      1.130359      8.878235
  H      -2.031124     -0.391594      7.283194
  H      -1.960525      0.035729      9.016822
  C      -4.851544     -2.288030     -2.342347
  C      -5.361759     -1.116097     -1.534887
  O      -6.369879     -0.510913     -1.916456
  C      -4.670855     -0.688197     -0.286443
  C      -5.238306      0.404787      0.400166
  C      -4.707343      0.921468      1.570339
  O      -5.330214      1.978921      2.154030
  C      -3.526971      0.329712      2.135217
  C      -2.959226      0.813968      3.342088
  O      -3.482644      1.834490      3.968904
  C      -1.761714      0.244634      4.028403
  C      -2.957292     -0.774310      1.444794
  C      -3.500812     -1.275483      0.272306
  O      -2.914057     -2.345066     -0.362020
  C      -9.788534      8.850455      5.093290
  C      -9.061240      7.904558      4.175339
  O      -9.500835      7.738100      3.000148
  C      -7.903717      7.170764      4.645486
  C      -7.367339      7.346930      5.944655
  C      -6.291539      6.611035      6.398566
  O      -5.786380      6.777790      7.666567
  C      -5.689315      5.615877      5.565227
  C      -4.635521      4.758227      6.009614
  O      -4.260042      3.767066      5.257995
  C      -3.828666      4.884938      7.261989
  C      -6.221473      5.441218      4.262382
  C      -7.284731      6.199569      3.793567
  O      -7.751087      5.987872      2.545521
  C     -11.547886      5.032310      3.816172
  C     -10.946630      5.197137      5.195375
  O     -11.457750      6.007906      5.974591
  C      -9.763684      4.392708      5.621649
  C      -9.333711      4.599334      6.944667
  C      -8.247327      3.932199      7.492720
  O      -7.883472      4.203461      8.765713
  C      -7.523282      2.990466      6.692396
  C      -6.352862      2.332716      7.254482
  O      -5.985498      2.568709      8.436784
  C      -5.550322      1.321817      6.430055
  C      -7.954451      2.782553      5.367737
  C      -9.040157      3.459487      4.824137
  O      -9.319678      3.145030      3.521135
  H      -3.821468     -2.112259     -2.683808
  H      -5.514947     -2.428183     -3.203239
  H      -4.821327     -3.203282     -1.734234
  H      -6.135824      0.856851     -0.023591
  H      -4.805283      2.211060      2.965839
  H      -1.989455     -0.792441      4.368717
  H      -0.909493      0.142498      3.323503
  H      -2.062194     -1.252465      1.851758
  H      -2.137880     -2.614696      0.161217
  H     -10.268699      8.281348      5.905383
  H      -9.108115      9.583031      5.550913
  H     -10.563169      9.376040      4.524181
  H      -7.829260      8.068809      6.621526
  H      -6.393652      7.357856      8.160469
  H      -3.506284      5.929512      7.425478
  H      -4.462265      4.624881      8.136136
  H      -5.796395      4.679201      3.610680
  H      -8.519756      6.657954      2.455284
  H     -10.865741      5.439644      3.048089
  H     -11.768961      3.979393      3.584693
  H     -12.473423      5.616877      3.767957
  H      -9.878625      5.322864      7.551138
  H      -7.068729      3.619106      8.918855
  H      -5.651870      1.541947      5.361744
  H      -6.019062      0.330628      6.602608
  H      -7.424251      2.101087      4.703807
  H      -9.827528      3.861896      3.102832
  N      -1.421934      3.929028      4.560928
  H      -0.952744      4.648449      5.115039
  H      -2.032256      4.412604      3.896611
  H      -0.713748      3.426883      4.021541
96
Coordinates from ORCA-job orca E -6661.816927696713
  N      -1.436126      1.082726      5.156342
  Mo     -2.800340      2.429433      5.855155
  N      -4.141724      1.299974      6.766150
  C      -3.822509      0.585139      7.994164
  C      -2.323210      0.368344      8.029759
  N      -1.644342      1.643035      7.644482
  C      -0.245463      1.400219      7.208236
  C      -0.286690      0.626137      5.903549
  C      -1.677412      2.612719      8.779975
  C      -1.710811      4.006899      8.184564
  N      -2.697335      3.975888      7.127564
  H       0.662968      0.771495      5.350249
  H      -0.352981     -0.465077      6.101599
  H       0.224342      2.382994      7.066617
  H       0.313563      0.860760      7.992609
  H      -1.966140      4.747485      8.960064
  H      -0.711446      4.286333      7.795736
  H      -2.607791      2.441992      9.335399
  H      -0.821327      2.429413      9.451314
  H      -4.334581     -0.395234      8.019671
  H      -4.174653      1.142623      8.879745
  H      -2.043888     -0.391567      7.291253
  H      -1.972386      0.042092      9.023425
  C      -4.846772     -2.286068     -2.345992
  C      -5.353171     -1.111386     -1.540319
  O      -6.358650     -0.502800     -1.923169
  C      -4.661574     -0.684409     -0.291702
  C      -5.225839      0.411206      0.393103
  C      -4.694738      0.926707      1.563849
  O      -5.314317      1.986886      2.146037
  C      -3.517801      0.330539      2.130884
  C      -2.951677      0.812225      3.339347
  O      -3.472970      1.834945      3.965059
  C      -1.759734      0.237561      4.031395
  C      -2.950714     -0.775594      1.441866
  C      -3.494223     -1.275411      0.268916
  O      -2.909902     -2.346876     -0.364573
  C      -9.790488      8.841322      5.098474
  C      -9.066256      7.893887      4.179692
  O      -9.509160      7.725706      3.005989
  C      -7.905500      7.163241      4.646676
  C      -7.367542      7.339903      5.945075
  C      -6.289328      6.606222      6.396534
  O      -5.783795      6.772080      7.664535
  C      -5.685506      5.613597      5.561256
  C      -4.629171      4.757547      6.003225
  O      -4.253329      3.768280      5.249228
  C      -3.821039      4.883729      7.255064
  C      -6.218711      5.439026      4.258885
  C      -7.284973      6.194882      3.792722
  O      -7.752377      5.983392      2.545065
  C     -11.559922      5.030124      3.821674
  C     -10.959417      5.197134      5.200938
  O     -11.468575      6.012010      5.977171
  C      -9.776457      4.393732      5.628563
  C      -9.343610      4.605052      6.949999
  C      -8.254178      3.941810      7.496836
  O      -7.887526      4.217401      8.768183
  C      -7.529822      2.999909      6.696883
  C      -6.354222      2.348527      7.255479
  O      -5.982519      2.588531      8.435751
  C      -5.552163      1.339059      6.428812
  C      -7.965606      2.785723      5.374606
  C      -9.054802      3.458070      4.832604
  O      -9.339951      3.136928      3.532411
  H      -3.815976     -2.114768     -2.687345
  H      -5.510461     -2.425032     -3.206852
  H      -4.820262     -3.200506     -1.736510
  H      -6.121317      0.865917     -0.032109
  H      -4.789153      2.217092      2.958362
  H      -1.994604     -0.798273      4.370020
  H      -0.904062      0.131347      3.331300
  H      -2.057236     -1.255951      1.849812
  H      -2.134867     -2.618363      0.159425
  H     -10.265582      8.274526      5.915223
  H      -9.108238      9.576252      5.549601
  H     -10.568808      9.364157      4.531905
  H      -7.830726      8.059446      6.623495
  H      -6.392737      7.348850      8.160236
  H      -3.502284      5.928999      7.420746
  H      -4.452918      4.619208      8.129205
  H      -5.792641      4.678731      3.605836
  H      -8.523421      6.650788      2.456766
  H     -10.879136      5.440140      3.053761
  H     -11.777358      3.976504      3.590034
  H     -12.487348      5.611650      3.773044
  H      -9.887850      5.329978      7.555319
  H      -7.070479      3.635894      8.920388
  H      -5.650978      1.565397      5.361632
  H      -6.023638      0.348109      6.595172
  H      -7.435995      2.102597      4.712009
  H      -9.854372      3.849224      3.114334
  N      -1.410645      3.923841      4.558249
  H      -0.898954      4.606322      5.121284
  H      -2.032722      4.451945      3.940226
  H      -0.738668      3.426786      3.969920
96
Coordinates from ORCA-job orca E -6661.816954101961
  N      -1.435335      1.075255      5.158485
  Mo     -2.793738      2.429281      5.847966
  N      -4.145050      1.314011      6.761727
  C      -3.833525      0.597192      7.990665
  C      -2.335575      0.371275      8.030285
  N      -1.648368      1.640759      7.643218
  C      -0.249089      1.387177      7.213877
  C      -0.290495      0.612717      5.909293
  C      -1.680395      2.614901      8.775059
  C      -1.698472      4.006165      8.171970
  N      -2.684263      3.981007      7.114060
  H       0.660995      0.752567      5.357858
  H      -0.363827     -0.477968      6.107494
  H       0.230283      2.365688      7.075133
  H       0.301279      0.842740      8.000940
  H      -1.944135      4.755176      8.942421
  H      -0.695983      4.270264      7.780710
  H      -2.615825      2.454873      9.325279
  H      -0.830067      2.426827      9.452415
  H      -4.351229     -0.380329      8.014522
  H      -4.185429      1.156253      8.875176
  H      -2.059680     -0.392142      7.294043
  H      -1.988117      0.045747      9.025323
  C      -4.833685     -2.298912     -2.347751
  C      -5.339370     -1.121060     -1.546300
  O      -6.341008     -0.509442     -1.934357
  C      -4.647716     -0.690515     -0.298945
  C      -5.209946      0.408916      0.381402
  C      -4.680130      0.926088      1.552038
  O      -5.298054      1.989488      2.130521
  C      -3.506503      0.327796      2.123400
  C      -2.943449      0.809764      3.333010
  O      -3.462415      1.836169      3.955077
  C      -1.756401      0.232272      4.030808
  C      -2.940524     -0.781296      1.438344
  C      -3.482605     -1.282687      0.265443
  O      -2.899126     -2.356670     -0.364536
  C      -9.796284      8.829931      5.109242
  C      -9.071105      7.885962      4.187535
  O      -9.515351      7.718893      3.014128
  C      -7.907408      7.157727      4.651174
  C      -7.369089      7.332074      5.949776
  C      -6.287713      6.600869      6.397785
  O      -5.782490      6.763666      7.666369
  C      -5.680513      5.613710      5.558367
  C      -4.621196      4.758829      5.996660
  O      -4.244327      3.773278      5.238293
  C      -3.813512      4.881199      7.249271
  C      -6.213897      5.441694      4.255913
  C      -7.284092      6.194551      3.793542
  O      -7.752053      5.984882      2.545900
  C     -11.583098      5.032395      3.836977
  C     -10.977431      5.202138      5.213716
  O     -11.487857      6.013874      5.992441
  C      -9.791010      4.401934      5.637694
  C      -9.355386      4.613597      6.958210
  C      -8.261668      3.954243      7.501237
  O      -7.892599      4.229654      8.771929
  C      -7.536154      3.015716      6.698382
  C      -6.355491      2.369715      7.252398
  O      -5.979190      2.613455      8.430734
  C      -5.554806      1.361626      6.422582
  C      -7.975118      2.800611      5.377133
  C      -9.068332      3.469407      4.838962
  O      -9.355781      3.148850      3.539060
  H      -3.801899     -2.130749     -2.687744
  H      -5.496169     -2.439047     -3.209364
  H      -4.810095     -3.211600     -1.735488
  H      -6.103645      0.864566     -0.046634
  H      -4.772562      2.220614      2.942464
  H      -1.993600     -0.803535      4.366994
  H      -0.897822      0.125776      3.334102
  H      -2.048189     -1.261881      1.848636
  H      -2.125344     -2.628153      0.161326
  H     -10.266694      8.260981      5.927126
  H      -9.114967      9.567078      5.558251
  H     -10.578351      9.350250      4.545531
  H      -7.834316      8.047686      6.630956
  H      -6.394509      7.334226      8.165457
  H      -3.500618      5.926964      7.422114
  H      -4.444322      4.606656      8.121171
  H      -5.785944      4.684678      3.600237
  H      -8.527633      6.647258      2.461552
  H     -10.907261      5.446276      3.066644
  H     -11.796851      3.977890      3.605733
  H     -12.513385      5.609677      3.792210
  H      -9.900777      5.335893      7.565656
  H      -7.071744      3.652494      8.920451
  H      -5.651306      1.594951      5.356679
  H      -6.030643      0.371476      6.581376
  H      -7.444635      2.119761      4.712906
  H      -9.877810      3.857820      3.124750
  N      -1.394616      3.921973      4.556876
  H      -0.833132      4.556690      5.128222
  H      -2.025101      4.502842      3.997294
  H      -0.767883      3.435640      3.912167
96
Coordinates from ORCA-job orca E -6661.816973765342
  N      -1.431527      1.077433      5.156557
  Mo     -2.789207      2.433027      5.844282
  N      -4.143880      1.315657      6.750626
  C      -3.836768      0.595132      7.978727
  C      -2.338837      0.369104      8.023718
  N      -1.650775      1.639577      7.641622
  C      -0.250230      1.387973      7.214682
  C      -0.288145      0.614831      5.909239
  C      -1.685876      2.610947      8.775438
  C      -1.699472      4.003677      8.175402
  N      -2.680816      3.982866      7.113141
  H       0.664647      0.755675      5.360328
  H      -0.361243     -0.476140      6.106174
  H       0.227470      2.367422      7.077077
  H       0.299818      0.843954      8.002234
  H      -1.947780      4.751123      8.946556
  H      -0.695238      4.268058      7.789080
  H      -2.623681      2.451623      9.321780
  H      -0.838924      2.419634      9.456138
  H      -4.354832     -0.382255      7.998210
  H      -4.191591      1.152515      8.863105
  H      -2.059918     -0.393461      7.287720
  H      -1.994969      0.042452      9.019601
  C      -4.836942     -2.311376     -2.338602
  C      -5.339077     -1.128540     -1.542167
  O      -6.338440     -0.515149     -1.933414
  C      -4.646375     -0.694885     -0.296760
  C      -5.205142      0.409128      0.379067
  C      -4.674794      0.928675      1.548300
  O      -5.290357      1.995864      2.122794
  C      -3.503368      0.328674      2.122777
  C      -2.939477      0.813149      3.330982
  O      -3.455255      1.843011      3.949769
  C      -1.754501      0.233574      4.030330
  C      -2.940842     -0.785018      1.442420
  C      -3.483587     -1.288821      0.270811
  O      -2.903041     -2.367019     -0.354443
  C      -9.801107      8.824122      5.117158
  C      -9.072715      7.885022      4.192952
  O      -9.516545      7.719687      3.019050
  C      -7.907102      7.158630      4.654494
  C      -7.369686      7.330111      5.953862
  C      -6.286438      6.600455      6.399999
  O      -5.781814      6.761173      7.669047
  C      -5.676800      5.617237      5.557697
  C      -4.616338      4.762534      5.994340
  O      -4.238118      3.779361      5.233743
  C      -3.810998      4.882390      7.248396
  C      -6.208803      5.448687      4.254406
  C      -7.280826      6.200182      3.793805
  O      -7.746944      5.994121      2.545031
  C     -11.592459      5.032432      3.841478
  C     -10.985991      5.198552      5.218344
  O     -11.495474      6.008943      5.999016
  C      -9.795288      4.402153      5.637727
  C      -9.358342      4.611722      6.958044
  C      -8.261828      3.954473      7.498077
  O      -7.890906      4.229156      8.768203
  C      -7.535862      3.018612      6.692388
  C      -6.353588      2.373312      7.243856
  O      -5.975664      2.616325      8.422007
  C      -5.553078      1.368093      6.410932
  C      -7.975515      2.806121      5.370888
  C      -9.070401      3.474307      4.835387
  O      -9.357015      3.158115      3.534238
  H      -3.804574     -2.147606     -2.679016
  H      -5.499655     -2.452914     -3.199787
  H      -4.816039     -3.221618     -1.722657
  H      -6.096978      0.866299     -0.051233
  H      -4.764523      2.229102      2.933926
  H      -1.992093     -0.801215      4.369322
  H      -0.897082      0.124617      3.332461
  H      -2.050406     -1.267036      1.855100
  H      -2.130504     -2.638839      0.173035
  H     -10.271488      8.250689      5.931852
  H      -9.122333      9.561099      5.570194
  H     -10.583601      9.344564      4.554186
  H      -7.836601      8.042756      6.637000
  H      -6.395657      7.328162      8.169936
  H      -3.498659      5.927773      7.424354
  H      -4.443512      4.604784      8.118048
  H      -5.778500      4.694951      3.596494
  H      -8.524757      6.654175      2.462828
  H     -10.916906      5.448831      3.072194
  H     -11.806176      3.978624      3.607171
  H     -12.522914      5.609596      3.798990
  H      -9.905248      5.330547      7.568271
  H      -7.066754      3.655688      8.913468
  H      -5.649025      1.605995      5.345807
  H      -6.031074      0.378055      6.564231
  H      -7.444435      2.128106      4.704224
  H      -9.883642      3.865944      3.123907
  N      -1.382630      3.926455      4.561337
  H      -0.808722      4.546753      5.136237
  H      -2.011840      4.522307      4.016268
  H      -0.766797      3.444218      3.903121
96
Coordinates from ORCA-job orca E -6661.816989093434
  N      -1.429249      1.077642      5.155660
  Mo     -2.784709      2.436712      5.843577
  N      -4.141403      1.317333      6.744504
  C      -3.836748      0.595684      7.972813
  C      -2.338832      0.369156      8.021171
  N      -1.650222      1.640161      7.641953
  C      -0.249436      1.391110      7.213935
  C      -0.285984      0.616932      5.909100
  C      -1.685960      2.609287      8.777160
  C      -1.697653      4.003404      8.180199
  N      -2.675279      3.985318      7.114366
  H       0.667500      0.758311      5.361446
  H      -0.357819     -0.474063      6.106813
  H       0.224261      2.372067      7.073398
  H       0.303556      0.850450      8.001724
  H      -1.949991      4.748377      8.952526
  H      -0.692349      4.270554      7.798812
  H      -2.624364      2.449784      9.322361
  H      -0.840452      2.415809      9.459111
  H      -4.355668     -0.381203      7.990765
  H      -4.192378      1.153698      8.856470
  H      -2.057521     -0.393389      7.286117
  H      -1.997861      0.042089      9.017945
  C      -4.846592     -2.314171     -2.331646
  C      -5.344039     -1.127216     -1.538202
  O      -6.339192     -0.509164     -1.933031
  C      -4.651376     -0.694679     -0.292740
  C      -5.205550      0.413560      0.380065
  C      -4.674482      0.932673      1.548973
  O      -5.286029      2.003807      2.120657
  C      -3.506257      0.328593      2.126225
  C      -2.940354      0.814033      3.333244
  O      -3.451758      1.847352      3.949411
  C      -1.756490      0.232241      4.031968
  C      -2.948846     -0.789810      1.449385
  C      -3.492570     -1.293395      0.278005
  O      -2.916829     -2.376279     -0.343341
  C      -9.807036      8.814781      5.131421
  C      -9.074427      7.883071      4.203098
  O      -9.519026      7.719459      3.029158
  C      -7.905358      7.160013      4.661096
  C      -7.367866      7.329105      5.960740
  C      -6.281983      6.601859      6.404574
  O      -5.777440      6.760926      7.673757
  C      -5.670404      5.622442      5.559307
  C      -4.609078      4.767679      5.994193
  O      -4.231201      3.785130      5.232933
  C      -3.804614      4.886544      7.248514
  C      -6.201741      5.457073      4.255470
  C      -7.275847      6.206840      3.796789
  O      -7.740237      6.004276      2.547043
  C     -11.595976      5.023761      3.830688
  C     -10.988905      5.192582      5.207030
  O     -11.504867      5.996408      5.990155
  C      -9.795722      4.399759      5.626363
  C      -9.359468      4.610286      6.946600
  C      -8.261741      3.955604      7.487313
  O      -7.891111      4.232464      8.756861
  C      -7.534571      3.019853      6.682456
  C      -6.351153      2.377200      7.234825
  O      -5.974347      2.621672      8.413113
  C      -5.549815      1.371886      6.403537
  C      -7.973676      2.805922      5.361052
  C      -9.068998      3.472742      4.824589
  O      -9.353952      3.156470      3.523157
  H      -3.812713     -2.155887     -2.670211
  H      -5.508226     -2.453617     -3.193979
  H      -4.831185     -3.223573     -1.714329
  H      -6.094170      0.874718     -0.052637
  H      -4.760875      2.236586      2.932239
  H      -1.994830     -0.800935      4.375791
  H      -0.901564      0.119134      3.331699
  H      -2.062143     -1.276115      1.865021
  H      -2.146889     -2.651165      0.186304
  H     -10.276107      8.234710      5.942238
  H      -9.132126      9.552084      5.589574
  H     -10.591067      9.334745      4.570134
  H      -7.836638      8.038389      6.646166
  H      -6.393612      7.323562      8.176698
  H      -3.491102      5.931352      7.425486
  H      -4.438532      4.608198      8.116904
  H      -5.768922      4.706929      3.595072
  H      -8.520641      6.661781      2.467048
  H     -10.922031      5.442131      3.061075
  H     -11.806582      3.969243      3.596586
  H     -12.528367      5.597839      3.788932
  H      -9.908188      5.327729      7.556892
  H      -7.066222      3.660108      8.902927
  H      -5.644721      1.609260      5.337972
  H      -6.029539      0.382333      6.555573
  H      -7.441960      2.128259      4.694450
  H      -9.885018      3.861669      3.114041
  N      -1.373140      3.928815      4.565459
  H      -0.784996      4.535286      5.140784
  H      -2.000343      4.538872      4.033880
  H      -0.769810      3.447965      3.894616
96
Coordinates from ORCA-job orca E -6661.816999318135
  N      -1.428790      1.074619      5.156398
  Mo     -2.782182      2.436621      5.843411
  N      -4.140840      1.321063      6.745931
  C      -3.836654      0.600294      7.974951
  C      -2.339099      0.371631      8.023191
  N      -1.648707      1.641251      7.642858
  C      -0.248521      1.390445      7.214162
  C      -0.285725      0.614637      5.910339
  C      -1.683031      2.611730      8.776840
  C      -1.693471      4.005201      8.178294
  N      -2.671056      3.986776      7.112489
  H       0.667996      0.755398      5.362937
  H      -0.357703     -0.476155      6.109230
  H       0.225265      2.370992      7.071177
  H       0.304892      0.851124      8.002531
  H      -1.945149      4.751233      8.949796
  H      -0.687894      4.271085      7.796823
  H      -2.621304      2.453368      9.322582
  H      -0.837522      2.418397      9.458852
  H      -4.357214     -0.375625      7.993916
  H      -4.190864      1.159960      8.858122
  H      -2.058339     -0.391929      7.289016
  H      -1.999139      0.044713      9.020396
  C      -4.850467     -2.309954     -2.331960
  C      -5.345431     -1.121931     -1.538546
  O      -6.339703     -0.502341     -1.933092
  C      -4.653380     -0.692198     -0.291739
  C      -5.206296      0.416383      0.381457
  C      -4.674580      0.934248      1.550617
  O      -5.284495      2.006088      2.122300
  C      -3.507317      0.328346      2.127813
  C      -2.940364      0.813063      3.334871
  O      -3.450265      1.847007      3.950499
  C      -1.756433      0.230044      4.032455
  C      -2.951705     -0.790888      1.450920
  C      -3.496062     -1.293267      0.279237
  O      -2.922401     -2.377358     -0.341862
  C      -9.808192      8.809402      5.131600
  C      -9.073993      7.879139      4.203113
  O      -9.517273      7.716219      3.028596
  C      -7.904074      7.157554      4.661021
  C      -7.367450      7.325852      5.961052
  C      -6.280764      6.599717      6.404847
  O      -5.777241      6.758064      7.674472
  C      -5.667715      5.621949      5.558803
  C      -4.605967      4.767568      5.993168
  O      -4.227450      3.785433      5.231744
  C      -3.801232      4.886972      7.247367
  C      -6.198217      5.457358      4.254498
  C      -7.272846      6.206259      3.795848
  O      -7.735950      6.004956      2.545526
  C     -11.594868      5.022871      3.825840
  C     -10.993429      5.187041      5.205242
  O     -11.510449      5.990930      5.987597
  C      -9.799131      4.396371      5.624995
  C      -9.364184      4.606964      6.945632
  C      -8.265430      3.954491      7.486749
  O      -7.896387      4.231751      8.756694
  C      -7.535630      3.020712      6.681912
  C      -6.351222      2.380281      7.234609
  O      -5.976499      2.623219      8.413865
  C      -5.548774      1.375535      6.403907
  C      -7.973530      2.806544      5.360251
  C      -9.069827      3.471360      4.823212
  O      -9.352848      3.155476      3.521318
  H      -3.816123     -2.153719     -2.669998
  H      -5.511950     -2.447727     -3.194647
  H      -4.837235     -3.219544     -1.714920
  H      -6.093807      0.879358     -0.051501
  H      -4.760244      2.237786      2.934579
  H      -1.995466     -0.802976      4.376429
  H      -0.901890      0.116377      3.331880
  H      -2.066823     -1.279673      1.867446
  H      -2.153579     -2.654309      0.188310
  H     -10.277439      8.228344      5.941580
  H      -9.134576      9.547031      5.591079
  H     -10.592226      9.328941      4.569946
  H      -7.837746      8.033566      6.647050
  H      -6.395688      7.317568      8.178123
  H      -3.488776      5.931833      7.425321
  H      -4.435144      4.606841      8.115268
  H      -5.763812      4.708800      3.593325
  H      -8.517629      6.661082      2.466034
  H     -10.916117      5.440234      3.059928
  H     -11.808241      3.969514      3.588984
  H     -12.525241      5.599955      3.781253
  H      -9.914920      5.322621      7.556168
  H      -7.071206      3.660063      8.903738
  H      -5.642701      1.612866      5.338218
  H      -6.028707      0.385931      6.555406
  H      -7.440174      2.130319      4.693495
  H      -9.888191      3.858091      3.113370
  N      -1.371418      3.928938      4.566757
  H      -0.757093      4.510445      5.140407
  H      -1.999259      4.563342      4.065257
  H      -0.793801      3.453029      3.870163
96
Coordinates from ORCA-job orca E -6661.817014516069
  N      -1.427971      1.073990      5.156246
  Mo     -2.780513      2.437352      5.842804
  N      -4.140613      1.323058      6.744655
  C      -3.836849      0.600698      7.973025
  C      -2.339422      0.372108      8.021677
  N      -1.648565      1.641873      7.642777
  C      -0.248421      1.391234      7.214333
  C      -0.284559      0.615472      5.910434
  C      -1.683655      2.612148      8.776888
  C      -1.693130      4.005835      8.178893
  N      -2.669394      3.987942      7.111803
  H       0.669460      0.757780      5.363900
  H      -0.355193     -0.475471      6.108986
  H       0.225038      2.371921      7.071059
  H       0.305184      0.852390      8.002895
  H      -1.945663      4.751531      8.950409
  H      -0.686913      4.271755      7.799107
  H      -2.622496      2.453445      9.321605
  H      -0.838798      2.418715      9.459736
  H      -4.357447     -0.375206      7.990190
  H      -4.191359      1.159053      8.856892
  H      -2.057783     -0.390715      7.287054
  H      -2.000635      0.043912      9.018907
  C      -4.852022     -2.311996     -2.330272
  C      -5.346516     -1.123564     -1.537173
  O      -6.341484     -0.504684     -1.931001
  C      -4.654539     -0.694064     -0.290036
  C      -5.207922      0.414122      0.383406
  C      -4.675011      0.933065      1.551637
  O      -5.284933      2.004681      2.123157
  C      -3.506728      0.328337      2.127746
  C      -2.938724      0.813694      3.334293
  O      -3.448401      1.847690      3.949489
  C      -1.754435      0.230499      4.031484
  C      -2.951057     -0.790779      1.450756
  C      -3.496514     -1.294263      0.279983
  O      -2.923199     -2.378583     -0.341120
  C      -9.808458      8.808709      5.132616
  C      -9.074404      7.878118      4.204321
  O      -9.516908      7.716042      3.029383
  C      -7.904475      7.156642      4.662277
  C      -7.368552      7.323699      5.962670
  C      -6.281542      6.597879      6.406297
  O      -5.778572      6.755149      7.676292
  C      -5.667431      5.621677      5.559353
  C      -4.605254      4.767582      5.992972
  O      -4.224912      3.786880      5.230573
  C      -3.800930      4.886438      7.247706
  C      -6.197320      5.458039      4.254577
  C      -7.272229      6.206635      3.796213
  O      -7.734485      6.006671      2.545453
  C     -11.593458      5.025197      3.823296
  C     -10.993931      5.187322      5.203825
  O     -11.511834      5.990502      5.986376
  C      -9.800392      4.395988      5.623889
  C      -9.364619      4.607389      6.944233
  C      -8.265394      3.955491      7.484935
  O      -7.895169      4.234047      8.754417
  C      -7.535882      3.021401      6.680263
  C      -6.351523      2.380957      7.232823
  O      -5.976080      2.624314      8.411742
  C      -5.548070      1.377712      6.401061
  C      -7.974691      2.806265      5.359167
  C      -9.071730      3.470166      4.822381
  O      -9.355970      3.152520      3.521282
  H      -3.817868     -2.155717     -2.668946
  H      -5.513910     -2.450209     -3.192585
  H      -4.838369     -3.221357     -1.712884
  H      -6.096170      0.876315     -0.048859
  H      -4.760522      2.237401      2.934919
  H      -1.994054     -0.802822      4.374208
  H      -0.899300      0.117318      3.331594
  H      -2.066053     -1.279482      1.867153
  H      -2.153908     -2.655289      0.188511
  H     -10.279381      8.227957      5.941865
  H      -9.134581      9.545310      5.593361
  H     -10.591291      9.329460      4.570364
  H      -7.839921      8.030068      6.649353
  H      -6.399211      7.311256      8.181045
  H      -3.490141      5.931401      7.427796
  H      -4.435039      4.603710      8.114706
  H      -5.761846      4.710806      3.592571
  H      -8.517237      6.661602      2.466803
  H     -10.911695      5.439470      3.058355
  H     -11.811144      3.972585      3.586634
  H     -12.521562      5.605790      3.776965
  H      -9.914690      5.323619      7.554708
  H      -7.070008      3.662451      8.901289
  H      -5.640674      1.617041      5.335728
  H      -6.028376      0.387915      6.550294
  H      -7.441994      2.129285      4.692599
  H      -9.896563      3.851839      3.114558
  N      -1.368913      3.930376      4.570104
  H      -0.721742      4.478625      5.140380
  H      -1.995151      4.595510      4.107874
  H      -0.825031      3.462342      3.841659
96
Coordinates from ORCA-job orca E -6661.817038719391
  N      -1.429593      1.072412      5.156728
  Mo     -2.781587      2.437276      5.843667
  N      -4.141149      1.322165      6.745235
  C      -3.835617      0.597975      7.972262
  C      -2.338010      0.372168      8.020028
  N      -1.648841      1.643330      7.643131
  C      -0.249060      1.395437      7.213279
  C      -0.283853      0.618609      5.909970
  C      -1.685340      2.612704      8.777880
  C      -1.697178      4.007282      8.182175
  N      -2.671195      3.988287      7.112953
  H       0.669935      0.764469      5.363780
  H      -0.350277     -0.472534      6.108822
  H       0.221617      2.377258      7.068141
  H       0.307381      0.859176      8.001627
  H      -1.953916      4.750522      8.954592
  H      -0.690577      4.277094      7.805991
  H      -2.623888      2.451050      9.322346
  H      -0.839881      2.420626      9.460420
  H      -4.354541     -0.378854      7.987368
  H      -4.190673      1.153658      8.857606
  H      -2.054525     -0.388617      7.284021
  H      -1.999664      0.042042      9.016836
  C      -4.849226     -2.311552     -2.332577
  C      -5.345861     -1.125020     -1.538065
  O      -6.341486     -0.506970     -1.931344
  C      -4.655124     -0.696559     -0.289469
  C      -5.210795      0.409630      0.385321
  C      -4.676872      0.929764      1.552785
  O      -5.287988      1.999867      2.124840
  C      -3.506598      0.327612      2.126875
  C      -2.937900      0.813441      3.333189
  O      -3.448608      1.846402      3.948532
  C      -1.753166      0.230467      4.030554
  C      -2.949186     -0.789813      1.448593
  C      -3.495450     -1.294561      0.278717
  O      -2.921159     -2.377829     -0.343560
  C      -9.806961      8.811736      5.127329
  C      -9.074461      7.878054      4.200933
  O      -9.517702      7.713995      3.026555
  C      -7.905532      7.155847      4.660184
  C      -7.369140      7.324126      5.960098
  C      -6.282437      6.598302      6.404533
  O      -5.778919      6.756711      7.674222
  C      -5.668645      5.621339      5.558443
  C      -4.606702      4.767624      5.992545
  O      -4.224579      3.786985      5.230886
  C      -3.802792      4.886883      7.247806
  C      -6.199405      5.455618      4.254077
  C      -7.274335      6.203713      3.795227
  O      -7.737905      6.001528      2.545403
  C     -11.588282      5.032470      3.824254
  C     -10.990899      5.190780      5.206263
  O     -11.509555      5.992709      5.989717
  C      -9.799891      4.396395      5.626562
  C      -9.362564      4.608238      6.946539
  C      -8.263557      3.955557      7.486390
  O      -7.891789      4.234299      8.755689
  C      -7.535204      3.020877      6.681592
  C      -6.351696      2.378904      7.233689
  O      -5.975061      2.621920      8.412153
  C      -5.548416      1.375911      6.400748
  C      -7.975704      2.805011      5.361392
  C      -9.073352      3.468634      4.825257
  O      -9.359603      3.148747      3.525390
  H      -3.815207     -2.152975     -2.670663
  H      -5.510471     -2.449623     -3.195421
  H      -4.834406     -3.221820     -1.716548
  H      -6.100720      0.869838     -0.045553
  H      -4.763516      2.233798      2.935985
  H      -1.993990     -0.803611      4.370251
  H      -0.896565      0.118647      3.332378
  H      -2.063295     -1.277552      1.864256
  H      -2.150874     -2.653740      0.185059
  H     -10.281340      8.233569      5.936424
  H      -9.131618      9.546482      5.588797
  H     -10.587199      9.334618      4.563384
  H      -7.840455      8.031107      6.646206
  H      -6.401967      7.309302      8.179900
  H      -3.492451      5.931844      7.428625
  H      -4.437419      4.603969      8.114454
  H      -5.764450      4.707406      3.592815
  H      -8.521481      6.655450      2.466833
  H     -10.900664      5.437984      3.059889
  H     -11.817167      3.981533      3.589848
  H     -12.510632      5.621862      3.774549
  H      -9.910675      5.325867      7.557107
  H      -7.068371      3.660582      8.902570
  H      -5.640351      1.616306      5.335756
  H      -6.028961      0.386170      6.549472
  H      -7.444713      2.126534      4.694936
  H      -9.908558      3.842860      3.120850
  N      -1.369263      3.928253      4.574596
  H      -0.671820      4.425274      5.132500
  H      -1.987815      4.637227      4.170865
  H      -0.880389      3.470491      3.801889
96
Coordinates from ORCA-job orca E -6661.817034061475
  N      -1.436424      1.074663      5.157220
  Mo     -2.793464      2.433765      5.850225
  N      -4.142824      1.306399      6.752249
  C      -3.829025      0.583588      7.977650
  C      -2.329988      0.367367      8.020359
  N      -1.649654      1.643448      7.644056
  C      -0.250248      1.405172      7.208774
  C      -0.284809      0.627977      5.905701
  C      -1.687973      2.609286      8.781799
  C      -1.714279      4.006404      8.192654
  N      -2.688626      3.981403      7.123857
  H       0.666537      0.779712      5.356551
  H      -0.343388     -0.463587      6.104656
  H       0.213173      2.390382      7.062429
  H       0.313534      0.872716      7.994593
  H      -1.980285      4.741988      8.969230
  H      -0.710378      4.290036      7.818976
  H      -2.622384      2.437929      9.330481
  H      -0.836960      2.422133      9.458696
  H      -4.341510     -0.396760      7.994279
  H      -4.184946      1.136168      8.864735
  H      -2.044348     -0.389732      7.281475
  H      -1.986711      0.036962      9.015384
  C      -4.837884     -2.300232     -2.344260
  C      -5.343111     -1.121657     -1.543562
  O      -6.341424     -0.506705     -1.934796
  C      -4.654391     -0.694150     -0.293184
  C      -5.216124      0.406281      0.386018
  C      -4.684142      0.925381      1.555080
  O      -5.300362      1.990311      2.131139
  C      -3.510497      0.327509      2.126156
  C      -2.943972      0.811891      3.333792
  O      -3.459937      1.840076      3.953287
  C      -1.757218      0.231898      4.031122
  C      -2.946619     -0.783683      1.442915
  C      -3.490801     -1.287425      0.271870
  O      -2.910490     -2.364739     -0.355553
  C      -9.798883      8.829251      5.103475
  C      -9.071583      7.885097      4.183687
  O      -9.516765      7.714785      3.010960
  C      -7.907265      7.158772      4.648218
  C      -7.368361      7.334805      5.946115
  C      -6.285411      6.606214      6.394893
  O      -5.778917      6.772333      7.662570
  C      -5.677137      5.619587      5.555947
  C      -4.618060      4.765648      5.995422
  O      -4.238015      3.779265      5.239843
  C      -3.813782      4.888573      7.250065
  C      -6.211060      5.445188      4.253790
  C      -7.282854      6.195165      3.790818
  O      -7.751018      5.983708      2.544038
  C     -11.575933      5.040244      3.835639
  C     -10.974381      5.200250      5.215698
  O     -11.488703      6.005450      5.998784
  C      -9.788558      4.398722      5.636647
  C      -9.347364      4.612503      6.955222
  C      -8.251785      3.954138      7.494983
  O      -7.876803      4.232389      8.763655
  C      -7.529783      3.013719      6.691496
  C      -6.350249      2.365078      7.244023
  O      -5.971528      2.608179      8.421492
  C      -5.552037      1.355423      6.413027
  C      -7.973962      2.796148      5.372868
  C      -9.069608      3.463551      4.837135
  O      -9.361390      3.138887      3.539905
  H      -3.804698     -2.133262     -2.680845
  H      -5.497676     -2.437858     -3.208342
  H      -4.817848     -3.213760     -1.733201
  H      -6.109299      0.862525     -0.042345
  H      -4.775205      2.224202      2.941991
  H      -1.997196     -0.803554      4.367398
  H      -0.899591      0.123232      3.333823
  H      -2.056656     -1.266950      1.855155
  H      -2.137799     -2.637748      0.171105
  H     -10.279754      8.259112      5.914474
  H      -9.118823      9.560906      5.562835
  H     -10.573752      9.355640      4.535358
  H      -7.834787      8.049969      6.627030
  H      -6.398337      7.332061      8.164826
  H      -3.496592      5.933102      7.422492
  H      -4.449153      4.618267      8.120006
  H      -5.781655      4.688711      3.598394
  H      -8.529885      6.642621      2.460721
  H     -10.885867      5.431830      3.066390
  H     -11.818282      3.990174      3.610252
  H     -12.491702      5.639588      3.783316
  H      -9.889457      5.335965      7.564231
  H      -7.058247      3.652213      8.911085
  H      -5.648594      1.588729      5.347144
  H      -6.030768      0.366618      6.572037
  H      -7.448268      2.112221      4.707830
  H      -9.909992      3.832576      3.133996
  N      -1.385147      3.919049      4.574902
  H      -0.695994      4.435044      5.126082
  H      -2.001692      4.612543      4.142459
  H      -0.885880      3.439968      3.822070
96
Coordinates from ORCA-job orca E -6661.817055218341
  N      -1.433888      1.073350      5.157674
  Mo     -2.789427      2.434225      5.848300
  N      -4.143031      1.311001      6.749533
  C      -3.832493      0.586526      7.974759
  C      -2.333870      0.367009      8.019718
  N      -1.650234      1.641569      7.643943
  C      -0.250291      1.399955      7.211778
  C      -0.283331      0.625317      5.906985
  C      -1.688772      2.607937      8.781402
  C      -1.710271      4.004630      8.190778
  N      -2.684529      3.982127      7.121982
  H       0.668444      0.778288      5.358979
  H      -0.342141     -0.466652      6.103704
  H       0.216902      2.383892      7.068969
  H       0.309560      0.864155      7.998166
  H      -1.972978      4.742404      8.966440
  H      -0.705365      4.283577      7.816324
  H      -2.624876      2.439355      9.328018
  H      -0.839724      2.418807      9.460239
  H      -4.346845     -0.392899      7.989515
  H      -4.189058      1.138816      8.861764
  H      -2.048615     -0.391162      7.281744
  H      -1.992525      0.036634      9.015430
  C      -4.841428     -2.302153     -2.340062
  C      -5.343312     -1.120682     -1.541523
  O      -6.343425     -0.507351     -1.930676
  C      -4.652940     -0.692128     -0.292311
  C      -5.213483      0.409281      0.386232
  C      -4.680764      0.928804      1.554812
  O      -5.296303      1.994447      2.130517
  C      -3.507365      0.330194      2.125848
  C      -2.940254      0.814255      3.333345
  O      -3.455154      1.842868      3.953246
  C      -1.754045      0.232259      4.030509
  C      -2.944376     -0.781781      1.443177
  C      -3.489343     -1.285829      0.272604
  O      -2.909853     -2.363834     -0.354392
  C      -9.800103      8.824894      5.107574
  C      -9.073190      7.880789      4.187324
  O      -9.516743      7.713310      3.013493
  C      -7.907397      7.156074      4.650468
  C      -7.369837      7.329875      5.949232
  C      -6.285720      6.602403      6.396937
  O      -5.780178      6.766974      7.665261
  C      -5.675205      5.618687      5.556157
  C      -4.614633      4.765688      5.994333
  O      -4.233126      3.781230      5.236711
  C      -3.810938      4.887566      7.249508
  C      -6.206948      5.447474      4.252705
  C      -7.279509      6.197004      3.790563
  O      -7.743987      5.990469      2.541679
  C     -11.581559      5.035396      3.832782
  C     -10.980082      5.197887      5.212667
  O     -11.493386      6.005913      5.993489
  C      -9.793975      4.397476      5.634795
  C      -9.348152      4.618173      6.950756
  C      -8.250376      3.962912      7.489933
  O      -7.869597      4.249133      8.755161
  C      -7.531511      3.017920      6.688843
  C      -6.350224      2.371612      7.240540
  O      -5.967990      2.619443      8.416010
  C      -5.551680      1.362826      6.408879
  C      -7.980928      2.792776      5.373148
  C      -9.079008      3.456844      4.838181
  O      -9.378177      3.122578      3.545176
  H      -3.808951     -2.137259     -2.679877
  H      -5.503678     -2.441613     -3.201996
  H      -4.820641     -3.213940     -1.726379
  H      -6.106538      0.865879     -0.042082
  H      -4.770251      2.229255      2.940764
  H      -1.995071     -0.803582      4.364822
  H      -0.895647      0.124070      3.333945
  H      -2.054142     -1.264937      1.855048
  H      -2.136840     -2.636552      0.171964
  H     -10.282107      8.254630      5.917909
  H      -9.119562      9.555539      5.567978
  H     -10.574153      9.352549      4.539482
  H      -7.838030      8.042546      6.631585
  H      -6.401843      7.322978      8.168909
  H      -3.495040      5.932232      7.423656
  H      -4.446582      4.615055      8.118571
  H      -5.774821      4.694280      3.595296
  H      -8.523446      6.648695      2.459201
  H     -10.890137      5.421849      3.062115
  H     -11.827889      3.985314      3.611309
  H     -12.495363      5.637558      3.777986
  H      -9.887707      5.345409      7.557577
  H      -7.048750      3.671855      8.901612
  H      -5.646715      1.598882      5.343265
  H      -6.031760      0.374173      6.564836
  H      -7.458371      2.104154      4.710436
  H      -9.935978      3.809368      3.140063
  N      -1.377781      3.920284      4.579808
  H      -0.643495      4.383306      5.119581
  H      -1.984935      4.656694      4.209083
  H      -0.931956      3.459770      3.782895
96
Coordinates from ORCA-job orca E -6661.817033180134
  N      -1.429333      1.075965      5.156034
  Mo     -2.783213      2.437604      5.843173
  N      -4.141293      1.319576      6.744326
  C      -3.835329      0.594713      7.970336
  C      -2.337056      0.370415      8.018533
  N      -1.649194      1.642563      7.641420
  C      -0.248433      1.395625      7.213307
  C      -0.281713      0.623087      5.907130
  C      -1.686866      2.611061      8.777270
  C      -1.700298      4.005878      8.181678
  N      -2.676516      3.986740      7.114838
  H       0.670438      0.773162      5.359306
  H      -0.344808     -0.468826      6.102827
  H       0.224252      2.377343      7.074212
  H       0.305462      0.855340      8.000757
  H      -1.955149      4.749215      8.954722
  H      -0.694617      4.275347      7.802743
  H      -2.625260      2.448888      9.321695
  H      -0.840932      2.418882      9.459095
  H      -4.352458     -0.383201      7.984628
  H      -4.192282      1.148791      8.856037
  H      -2.053381     -0.390490      7.282671
  H      -1.997133      0.041868      9.015265
  C      -4.846422     -2.313433     -2.331474
  C      -5.346484     -1.129584     -1.535178
  O      -6.349718     -0.519839     -1.922084
  C      -4.653647     -0.697351     -0.289111
  C      -5.214122      0.404358      0.388932
  C      -4.682179      0.924334      1.557341
  O      -5.300137      1.988317      2.134589
  C      -3.507526      0.327185      2.128181
  C      -2.940106      0.813488      3.334405
  O      -3.455081      1.843323      3.952821
  C      -1.752327      0.233590      4.030226
  C      -2.944387     -0.785340      1.446465
  C      -3.489019     -1.289819      0.275847
  O      -2.908487     -2.367399     -0.350506
  C      -9.811404      8.809809      5.125440
  C      -9.084115      7.869423      4.201610
  O      -9.530353      7.701839      3.028817
  C      -7.914120      7.148554      4.659926
  C      -7.373192      7.323045      5.957286
  C      -6.284976      6.599116      6.400741
  O      -5.776441      6.764188      7.667684
  C      -5.674025      5.618020      5.557158
  C      -4.610167      4.766821      5.992060
  O      -4.228855      3.784699      5.231295
  C      -3.805281      4.888725      7.246130
  C      -6.208331      5.447444      4.255003
  C      -7.285369      6.193288      3.796989
  O      -7.752715      5.986202      2.549335
  C     -11.566723      5.056587      3.816804
  C     -10.980724      5.201366      5.205242
  O     -11.500637      6.001895      5.989205
  C      -9.794896      4.400622      5.628514
  C      -9.360653      4.608427      6.950179
  C      -8.264263      3.952135      7.491223
  O      -7.894602      4.227318      8.761818
  C      -7.535774      3.017971      6.685628
  C      -6.352780      2.374058      7.237187
  O      -5.974946      2.616469      8.415507
  C      -5.549155      1.373419      6.401810
  C      -7.974616      2.804577      5.364179
  C      -9.070208      3.471239      4.827576
  O      -9.357323      3.151878      3.527897
  H      -3.815332     -2.148858     -2.675495
  H      -5.511692     -2.456483     -3.190443
  H      -4.822404     -3.223004     -1.714662
  H      -6.107740      0.860078     -0.039176
  H      -4.775273      2.222572      2.945927
  H      -1.989617     -0.801844      4.368268
  H      -0.895959      0.125304      3.330959
  H      -2.053098     -1.266866      1.857874
  H      -2.134933     -2.638679      0.175758
  H     -10.286130      8.236889      5.938184
  H      -9.132280      9.544197      5.582045
  H     -10.591041      9.333105      4.561068
  H      -7.841211      8.033899      6.641601
  H      -6.397255      7.319409      8.173181
  H      -3.491766      5.933910      7.421328
  H      -4.439480      4.612473      8.114985
  H      -5.775449      4.696521      3.595498
  H      -8.536882      6.639197      2.470654
  H     -10.868401      5.457349      3.059666
  H     -11.805855      4.009062      3.576790
  H     -12.482187      5.656130      3.760941
  H      -9.908416      5.326713      7.560297
  H      -7.071488      3.652800      8.908663
  H      -5.642501      1.616648      5.337263
  H      -6.028095      0.382737      6.548730
  H      -7.443689      2.125598      4.698196
  H      -9.913587      3.842188      3.126858
  N      -1.369963      3.927754      4.577626
  H      -0.632586      4.382839      5.119666
  H      -1.977488      4.670152      4.219303
  H      -0.928550      3.476679      3.772885
96
Coordinates from ORCA-job orca E -6661.817012541693
  N      -1.429129      1.076205      5.156577
  Mo     -2.782301      2.438656      5.842635
  N      -4.142905      1.321382      6.741292
  C      -3.839008      0.595302      7.967127
  C      -2.341000      0.369488      8.017083
  N      -1.651463      1.641458      7.641843
  C      -0.250357      1.392727      7.215866
  C      -0.283568      0.620708      5.909369
  C      -1.689743      2.609579      8.778078
  C      -1.700441      4.004457      8.182743
  N      -2.675654      3.986934      7.114981
  H       0.669338      0.768861      5.362468
  H      -0.349260     -0.471071      6.104912
  H       0.224333      2.373639      7.078155
  H       0.300968      0.850887      8.003975
  H      -1.954994      4.748027      8.955680
  H      -0.694046      4.272547      7.804796
  H      -2.629199      2.448545      9.320929
  H      -0.845246      2.416077      9.461300
  H      -4.357053     -0.382080      7.980186
  H      -4.196241      1.149252      8.852819
  H      -2.057175     -0.391124      7.280880
  H      -2.002480      0.039822      9.013904
  C      -4.840274     -2.313304     -2.334566
  C      -5.337633     -1.125949     -1.541686
  O      -6.336686     -0.512202     -1.933175
  C      -4.646637     -0.694519     -0.294517
  C      -5.204327      0.410699      0.380092
  C      -4.673735      0.930197      1.549159
  O      -5.289403      1.997128      2.123412
  C      -3.503076      0.329310      2.124477
  C      -2.936771      0.816399      3.330956
  O      -3.447369      1.852338      3.942654
  C      -1.752430      0.234114      4.030509
  C      -2.943196     -0.787350      1.446733
  C      -3.486464     -1.291229      0.275091
  O      -2.909064     -2.372607     -0.347481
  C      -9.798520      8.820023      5.105134
  C      -9.059693      7.890485      4.179562
  O      -9.495094      7.731136      3.001598
  C      -7.894963      7.164959      4.643693
  C      -7.362569      7.333221      5.945427
  C      -6.278552      6.605628      6.393301
  O      -5.777423      6.765490      7.663786
  C      -5.665262      5.625244      5.550675
  C      -4.605710      4.770473      5.988992
  O      -4.224858      3.787768      5.228709
  C      -3.802918      4.891061      7.244483
  C      -6.191814      5.460150      4.244741
  C      -7.263204      6.210949      3.781801
  O      -7.723392      6.008495      2.530734
  C     -11.601929      5.033092      3.849649
  C     -11.005470      5.182395      5.233107
  O     -11.518951      5.986247      6.017902
  C      -9.814566      4.385290      5.649348
  C      -9.374331      4.593798      6.968798
  C      -8.272751      3.941458      7.503928
  O      -7.898539      4.216827      8.773074
  C      -7.543755      3.011840      6.693435
  C      -6.354684      2.373297      7.238341
  O      -5.974597      2.613039      8.416526
  C      -5.550631      1.376941      6.398643
  C      -7.988245      2.797871      5.373990
  C      -9.089823      3.459799      4.843735
  O      -9.380632      3.142296      3.544407
  H      -3.807286     -2.153887     -2.675314
  H      -5.503249     -2.454731     -3.195541
  H      -4.822383     -3.222011     -1.716286
  H      -6.094560      0.869714     -0.051524
  H      -4.767184      2.229612      2.936828
  H      -1.993142     -0.800056      4.370086
  H      -0.894978      0.122014      3.333141
  H      -2.055790     -1.272557      1.862132
  H      -2.138620     -2.646814      0.181810
  H     -10.281077      8.237553      5.906523
  H      -9.125828      9.550840      5.576711
  H     -10.572930      9.347667      4.537645
  H      -7.833238      8.042956      6.629057
  H      -6.399741      7.321141      8.166929
  H      -3.487613      5.935709      7.419785
  H      -4.439057      4.616147      8.112287
  H      -5.756552      4.710328      3.585509
  H      -8.506741      6.662127      2.449646
  H     -10.907870      5.427931      3.085529
  H     -11.846471      3.985261      3.616468
  H     -12.515916      5.635214      3.797752
  H      -9.922253      5.309024      7.582348
  H      -7.072440      3.645396      8.915675
  H      -5.644231      1.623953      5.334918
  H      -6.029337      0.385546      6.541845
  H      -7.457294      2.122385      4.704487
  H      -9.942384      3.830659      3.147745
  N      -1.365151      3.927736      4.579351
  H      -0.623576      4.377608      5.119911
  H      -1.969464      4.674390      4.224357
  H      -0.928821      3.475555      3.772550
96
Coordinates from ORCA-job orca E -6661.817008664274
  N      -1.434720      1.071448      5.162261
  Mo     -2.789873      2.432108      5.854436
  N      -4.140515      1.306922      6.757797
  C      -3.827696      0.586676      7.984880
  C      -2.328896      0.367802      8.027387
  N      -1.646238      1.642189      7.648369
  C      -0.247249      1.399468      7.213963
  C      -0.283895      0.622453      5.910665
  C      -1.682473      2.609901      8.784775
  C      -1.707737      4.006079      8.193488
  N      -2.684023      3.980391      7.126640
  H       0.667070      0.772699      5.360591
  H      -0.344323     -0.468991      6.109630
  H       0.220265      2.382903      7.068886
  H       0.313444      0.864508      8.000227
  H      -1.971730      4.742963      8.969577
  H      -0.704183      4.288107      7.817752
  H      -2.616732      2.440637      9.334287
  H      -0.831256      2.422706      9.461379
  H      -4.341382     -0.392977      8.003852
  H      -4.182373      1.141780      8.870892
  H      -2.044919     -0.391287      7.289801
  H      -1.985513      0.038848      9.022838
  C      -4.861537     -2.278806     -2.337912
  C      -5.357582     -1.096749     -1.536452
  O      -6.347547     -0.470247     -1.930727
  C      -4.664375     -0.674023     -0.287073
  C      -5.215390      0.432572      0.390874
  C      -4.678280      0.948018      1.559056
  O      -5.283297      2.020439      2.133016
  C      -3.510318      0.339580      2.131041
  C      -2.939534      0.819952      3.338418
  O      -3.445052      1.854477      3.956141
  C      -1.757134      0.231235      4.035319
  C      -2.957220     -0.777965      1.449145
  C      -3.506182     -1.277479      0.278364
  O      -2.936132     -2.360765     -0.348124
  C      -9.797588      8.823621      5.110124
  C      -9.070553      7.880021      4.189503
  O      -9.521942      7.702664      3.020203
  C      -7.904404      7.155691      4.652404
  C      -7.364230      7.332632      5.949679
  C      -6.280484      6.604795      6.397722
  O      -5.771940      6.772732      7.664374
  C      -5.673446      5.617066      5.559216
  C      -4.613360      4.764216      5.998316
  O      -4.233378      3.777224      5.243030
  C      -3.807365      4.889618      7.251669
  C      -6.208434      5.441924      4.257653
  C      -7.279829      6.192486      3.794607
  O      -7.745196      5.983899      2.546373
  C     -11.584176      5.002864      3.812734
  C     -10.974061      5.185355      5.186342
  O     -11.484498      6.002553      5.959451
  C      -9.789235      4.386546      5.615471
  C      -9.341849      4.620635      6.928531
  C      -8.245433      3.968696      7.474340
  O      -7.864350      4.266666      8.736742
  C      -7.528170      3.014855      6.682509
  C      -6.346946      2.373293      7.239941
  O      -5.966727      2.628752      8.414294
  C      -5.549314      1.356460      6.417542
  C      -7.978249      2.776956      5.369436
  C      -9.075999      3.436520      4.828149
  O      -9.374351      3.090834      3.538071
  H      -3.826245     -2.120837     -2.672466
  H      -5.520981     -2.409483     -3.203318
  H      -4.850805     -3.193196     -1.727914
  H      -6.103730      0.897382     -0.038362
  H      -4.754188      2.252356      2.941848
  H      -2.003825     -0.803051      4.370631
  H      -0.899044      0.118198      3.339215
  H      -2.072226     -1.269576      1.862203
  H      -2.166044     -2.640634      0.178752
  H     -10.274889      8.253337      5.923215
  H      -9.118366      9.557741      5.566745
  H     -10.575340      9.347176      4.543296
  H      -7.830224      8.047875      6.630801
  H      -6.391044      7.332527      8.166949
  H      -3.488362      5.934308      7.420180
  H      -4.441700      4.623064      8.123456
  H      -5.778319      4.686377      3.601583
  H      -8.520253      6.646925      2.460622
  H     -10.893089      5.366600      3.030880
  H     -11.843559      3.951334      3.613616
  H     -12.492139      5.613077      3.751012
  H      -9.879869      5.355180      7.527843
  H      -7.044895      3.689024      8.889200
  H      -5.644334      1.583195      5.350022
  H      -6.029978      0.369411      6.582094
  H      -7.456727      2.081031      4.713618
  H      -9.934126      3.772761      3.127488
  N      -1.378276      3.912936      4.579890
  H      -0.631692      4.368353      5.109218
  H      -1.979615      4.655686      4.212587
  H      -0.947821      3.442762      3.780349
96
Coordinates from ORCA-job orca E -6661.816978470255
  N      -1.436971      1.075417      5.155944
  Mo     -2.793438      2.435012      5.847661
  N      -4.145637      1.307650      6.745949
  C      -3.834312      0.582991      7.970680
  C      -2.335353      0.364281      8.015146
  N      -1.653111      1.640432      7.641596
  C      -0.252513      1.401720      7.209570
  C      -0.285007      0.628645      5.903867
  C      -1.692831      2.604293      8.781027
  C      -1.717115      4.002206      8.193575
  N      -2.690936      3.979675      7.124495
  H       0.665779      0.782967      5.354575
  H      -0.342226     -0.463456      6.100173
  H       0.213508      2.386499      7.068929
  H       0.307548      0.865218      7.995276
  H      -1.982792      4.736994      8.971096
  H      -0.712863      4.285298      7.820593
  H      -2.628361      2.433188      9.327789
  H      -0.843142      2.415156      9.458973
  H      -4.348022     -0.396783      7.985936
  H      -4.190449      1.135212      8.857932
  H      -2.050057     -0.392308      7.275627
  H      -1.993126      0.032706      9.010100
  C      -4.814799     -2.302574     -2.354012
  C      -5.335126     -1.136633     -1.544443
  O      -6.342894     -0.533409     -1.929801
  C      -4.648026     -0.705236     -0.294754
  C      -5.222919      0.383739      0.391890
  C      -4.695474      0.903691      1.562505
  O      -5.324235      1.957970      2.145130
  C      -3.512181      0.318697      2.127693
  C      -2.949828      0.803255      3.337108
  O      -3.482327      1.815860      3.968656
  C      -1.756430      0.231921      4.029903
  C      -2.934434     -0.780558      1.436629
  C      -3.474238     -1.284884      0.263832
  O      -2.879733     -2.349714     -0.371463
  C      -9.798793      8.829387      5.100142
  C      -9.071138      7.885801      4.180037
  O      -9.513706      7.719445      3.005770
  C      -7.906977      7.159195      4.644666
  C      -7.370566      7.333257      5.943962
  C      -6.287687      6.604932      6.393179
  O      -5.783173      6.770212      7.661835
  C      -5.677048      5.620063      5.553686
  C      -4.617020      4.767179      5.993288
  O      -4.236316      3.781324      5.236966
  C      -3.814208      4.889062      7.248838
  C      -6.208459      5.447701      4.250348
  C      -7.279671      6.198166      3.786498
  O      -7.742834      5.990597      2.537276
  C     -11.586580      5.048833      3.851081
  C     -10.979600      5.210046      5.228759
  O     -11.492822      6.013660      6.014079
  C      -9.792941      4.407809      5.646212
  C      -9.342276      4.627940      6.960510
  C      -8.244103      3.970619      7.496275
  O      -7.859713      4.254683      8.760803
  C      -7.529346      3.024878      6.692625
  C      -6.347191      2.376992      7.240803
  O      -5.964604      2.620614      8.416898
  C      -5.554948      1.363639      6.408932
  C      -7.983336      2.800185      5.378479
  C      -9.082310      3.465821      4.847180
  O      -9.386829      3.130990      3.555740
  H      -3.785239     -2.118353     -2.692649
  H      -5.475161     -2.444746     -3.216918
  H      -4.779297     -3.219370     -1.748595
  H      -6.123128      0.830263     -0.031995
  H      -4.797536      2.197695      2.953460
  H      -1.987730     -0.805862      4.365331
  H      -0.900165      0.130209      3.329822
  H      -2.036119     -1.252897      1.843354
  H      -2.101578     -2.614070      0.151539
  H     -10.283198      8.258045      5.908182
  H      -9.118576      9.558467      5.563352
  H     -10.570948      9.358852      4.531187
  H      -7.838332      8.047165      6.625263
  H      -6.403903      7.328622      8.163926
  H      -3.495042      5.933210      7.420312
  H      -4.450653      4.621030      8.118586
  H      -5.776574      4.693514      3.593975
  H      -8.519868      6.651345      2.451957
  H     -10.895585      5.427968      3.076555
  H     -11.841840      3.999837      3.634077
  H     -12.496486      5.656933      3.797787
  H      -9.878910      5.355955      7.568934
  H      -7.039594      3.675764      8.904651
  H      -5.651992      1.598198      5.343234
  H      -6.037900      0.376844      6.567814
  H      -7.464399      2.110163      4.714487
  H      -9.951200      3.814785      3.154637
  N      -1.377682      3.918211      4.580491
  H      -0.621999      4.360603      5.108051
  H      -1.974445      4.670469      4.225403
  H      -0.958398      3.451963      3.772677
96
Coordinates from ORCA-job orca E -6661.816893140277
  N      -1.439089      1.072779      5.153746
  Mo     -2.791441      2.435252      5.840151
  N      -4.149690      1.320798      6.746291
  C      -3.843802      0.600110      7.974372
  C      -2.345890      0.371412      8.021231
  N      -1.655916      1.640917      7.638417
  C      -0.255626      1.388583      7.210838
  C      -0.293045      0.615680      5.904992
  C      -1.689546      2.612406      8.771885
  C      -1.700503      4.005193      8.171116
  N      -2.681029      3.986087      7.108428
  H       0.658238      0.761280      5.354692
  H      -0.360334     -0.475802      6.101780
  H       0.221776      2.368069      7.072706
  H       0.294866      0.845347      7.998635
  H      -1.949181      4.752592      8.942391
  H      -0.695846      4.269423      7.786177
  H      -2.627410      2.455215      9.318516
  H      -0.843225      2.419339      9.452906
  H      -4.363598     -0.376331      7.994190
  H      -4.197621      1.159425      8.858097
  H      -2.066293     -0.393279      7.287818
  H      -2.003740      0.046748      9.018393
  C      -4.804417     -2.339030     -2.348063
  C      -5.299240     -1.140903     -1.569885
  O      -6.297861     -0.530851     -1.968366
  C      -4.617420     -0.705219     -0.319544
  C      -5.175730      0.406752      0.343521
  C      -4.655960      0.928605      1.516277
  O      -5.272250      2.002245      2.078676
  C      -3.495051      0.323492      2.107684
  C      -2.938996      0.812495      3.317780
  O      -3.450872      1.852305      3.922748
  C      -1.761748      0.229040      4.027761
  C      -2.933445     -0.798909      1.440947
  C      -3.466118     -1.305101      0.265642
  O      -2.886417     -2.391644     -0.345498
  C      -9.816732      8.810184      5.121098
  C      -9.091533      7.867425      4.198005
  O      -9.528871      7.711869      3.020273
  C      -7.922209      7.145390      4.656453
  C      -7.380781      7.320797      5.953624
  C      -6.291813      6.597796      6.396649
  O      -5.783007      6.764261      7.663291
  C      -5.680732      5.616321      5.553229
  C      -4.615200      4.766426      5.987786
  O      -4.238091      3.781463      5.228458
  C      -3.807323      4.891049      7.239271
  C      -6.215626      5.445225      4.251653
  C      -7.293598      6.190213      3.793907
  O      -7.762269      5.981118      2.547108
  C     -11.572171      5.087142      3.855596
  C     -10.993570      5.213613      5.248941
  O     -11.512072      6.009897      6.037907
  C      -9.806027      4.411488      5.665464
  C      -9.364893      4.617024      6.984960
  C      -8.265742      3.959704      7.519387
  O      -7.889160      4.233104      8.788009
  C      -7.542654      3.025786      6.708393
  C      -6.355649      2.381740      7.251966
  O      -5.970121      2.624104      8.427951
  C      -5.559005      1.380368      6.411730
  C      -7.989735      2.812985      5.389403
  C      -9.087688      3.481390      4.859878
  O      -9.386670      3.159809      3.563446
  H      -3.769209     -2.188461     -2.685856
  H      -5.464453     -2.486037     -3.210388
  H      -4.793721     -3.241334     -1.720275
  H      -6.058599      0.868630     -0.100075
  H      -4.755353      2.237492      2.895146
  H      -2.005620     -0.803829      4.369116
  H      -0.901405      0.112884      3.334519
  H      -2.051557     -1.285066      1.866878
  H      -2.122642     -2.665905      0.193321
  H     -10.297574      8.237498      5.930352
  H      -9.135196      9.539761      5.581935
  H     -10.591267      9.339055      4.554962
  H      -7.847670      8.032924      6.637379
  H      -6.402124      7.322237      8.167796
  H      -3.490668      5.936273      7.408660
  H      -4.439673      4.619951      8.110899
  H      -5.783036      4.693891      3.592489
  H      -8.548986      6.631053      2.469682
  H     -10.868725      5.493752      3.106361
  H     -11.813419      4.043097      3.602906
  H     -12.485261      5.690452      3.801401
  H      -9.909312      5.334911      7.598536
  H      -7.064403      3.659145      8.929308
  H      -5.658033      1.624602      5.347633
  H      -6.039761      0.390764      6.559941
  H      -7.464024      2.132867      4.720508
  H      -9.953380      3.845536      3.169305
  N      -1.376135      3.920255      4.568169
  H      -0.611369      4.347192      5.094920
  H      -1.973034      4.683782      4.237372
  H      -0.969725      3.469399      3.744956
96
Coordinates from ORCA-job orca E -6661.816900414234
  N      -1.427043      1.068090      5.168792
  Mo     -2.782156      2.430539      5.852070
  N      -4.136307      1.310789      6.757655
  C      -3.827148      0.593300      7.987034
  C      -2.328443      0.372658      8.034182
  N      -1.643268      1.644665      7.651183
  C      -0.243078      1.396850      7.222006
  C      -0.278703      0.617382      5.919950
  C      -1.680255      2.617391      8.783501
  C      -1.699439      4.010333      8.184041
  N      -2.676316      3.983510      7.117954
  H       0.672633      0.763886      5.369737
  H      -0.342478     -0.473434      6.121351
  H       0.228797      2.378242      7.077662
  H       0.312267      0.860724      8.011210
  H      -1.958340      4.753878      8.955530
  H      -0.695118      4.284275      7.804699
  H      -2.616660      2.454525      9.331122
  H      -0.831823      2.430188      9.463535
  H      -4.341682     -0.385868      8.007502
  H      -4.183820      1.151273      8.870464
  H      -2.044484     -0.390185      7.300407
  H      -1.986453      0.048241      9.031521
  C      -4.885441     -2.245240     -2.331818
  C      -5.373559     -1.064225     -1.523933
  O      -6.370510     -0.440510     -1.904958
  C      -4.674580     -0.649576     -0.275528
  C      -5.222506      0.452146      0.412780
  C      -4.682799      0.957006      1.584131
  O      -5.289929      2.020458      2.173323
  C      -3.512677      0.344199      2.147191
  C      -2.936398      0.818774      3.353815
  O      -3.434000      1.855543      3.975289
  C      -1.752211      0.226642      4.043922
  C      -2.962943     -0.769191      1.455828
  C      -3.515317     -1.258709      0.282453
  O      -2.947593     -2.337356     -0.353808
  C      -9.797483      8.808748      5.084003
  C      -9.061775      7.871055      4.164167
  O      -9.505991      7.695164      2.991973
  C      -7.896119      7.148656      4.630919
  C      -7.357080      7.330008      5.928110
  C      -6.272401      6.604978      6.378423
  O      -5.765574      6.776100      7.645192
  C      -5.664109      5.615331      5.543063
  C      -4.604570      4.763417      5.986250
  O      -4.225639      3.773666      5.234010
  C      -3.799470      4.893336      7.239293
  C      -6.197583      5.436725      4.241682
  C      -7.270690      6.183694      3.776595
  O      -7.739563      5.966545      2.531163
  C     -11.571918      5.012137      3.808915
  C     -10.984116      5.167478      5.195539
  O     -11.499769      5.978069      5.972001
  C      -9.799860      4.367581      5.624716
  C      -9.363875      4.587367      6.943846
  C      -8.266806      3.936256      7.489476
  O      -7.897466      4.220927      8.758062
  C      -7.536975      2.997843      6.690263
  C      -6.350715      2.362332      7.244612
  O      -5.970212      2.616715      8.419431
  C      -5.544729      1.358284      6.415554
  C      -7.977753      2.771697      5.371744
  C      -9.075929      3.431011      4.831177
  O      -9.362738      3.101004      3.534304
  H      -3.853001     -2.087484     -2.674992
  H      -5.552546     -2.373753     -3.191627
  H      -4.869988     -3.160789     -1.723647
  H      -6.112709      0.919986     -0.009277
  H      -4.763259      2.239244      2.987560
  H      -1.997025     -0.807141      4.381823
  H      -0.897290      0.113651      3.343747
  H      -2.076049     -1.263392      1.861608
  H      -2.176140     -2.621489      0.168748
  H     -10.276352      8.233458      5.892766
  H      -9.123594      9.544422      5.545999
  H     -10.574655      9.330515      4.514835
  H      -7.823694      8.047129      6.606736
  H      -6.385152      7.337017      8.145831
  H      -3.479935      5.938645      7.403313
  H      -4.434384      4.630293      8.111488
  H      -5.767356      4.678683      3.588618
  H      -8.522103      6.620454      2.447037
  H     -10.866205      5.385693      3.044871
  H     -11.833140      3.965533      3.587613
  H     -12.475865      5.627820      3.742655
  H      -9.911367      5.310702      7.548146
  H      -7.076378      3.645074      8.910385
  H      -5.639690      1.592785      5.349300
  H      -6.020466      0.367377      6.570863
  H      -7.446526      2.087867      4.710999
  H      -9.928885      3.782062      3.131218
  N      -1.366218      3.907520      4.576109
  H      -0.596026      4.334743      5.094751
  H      -1.958674      4.671282      4.238292
  H      -0.966387      3.443739      3.757087
96
Coordinates from ORCA-job orca E -6661.816795382742
  N      -1.438355      1.078072      5.155556
  Mo     -2.786858      2.442978      5.850611
  N      -4.144067      1.322070      6.749479
  C      -3.835878      0.596283      7.974679
  C      -2.337949      0.370023      8.018113
  N      -1.648824      1.642291      7.643285
  C      -0.250283      1.394741      7.209536
  C      -0.289600      0.622616      5.903478
  C      -1.681317      2.607376      8.782050
  C      -1.696648      4.004388      8.192772
  N      -2.673827      3.987226      7.126652
  H       0.661710      0.770038      5.353433
  H      -0.354977     -0.469048      6.099668
  H       0.222097      2.376428      7.068704
  H       0.306454      0.854045      7.994578
  H      -1.954220      4.742625      8.969741
  H      -0.691607      4.279168      7.815936
  H      -2.617666      2.443084      9.329451
  H      -0.832825      2.413275      9.460147
  H      -4.354055     -0.380991      7.989716
  H      -4.188849      1.150252      8.861957
  H      -2.057052     -0.388419      7.278593
  H      -1.996692      0.036752      9.012826
  C      -4.832321     -2.316703     -2.342685
  C      -5.345486     -1.142186     -1.540776
  O      -6.338480     -0.523870     -1.940470
  C      -4.657259     -0.708603     -0.292724
  C      -5.220862      0.392986      0.383089
  C      -4.690479      0.916222      1.550661
  O      -5.308198      1.982444      2.122870
  C      -3.515719      0.322305      2.124297
  C      -2.951562      0.811370      3.331237
  O      -3.473541      1.838132      3.947678
  C      -1.763850      0.235230      4.030061
  C      -2.949948     -0.790322      1.444769
  C      -3.492472     -1.297735      0.274265
  O      -2.909812     -2.375497     -0.349928
  C      -9.800529      8.828802      5.161193
  C      -9.072558      7.895912      4.230375
  O      -9.540891      7.707228      3.069547
  C      -7.898842      7.176790      4.682103
  C      -7.352170      7.349840      5.977185
  C      -6.265537      6.621443      6.417286
  O      -5.750899      6.785207      7.681904
  C      -5.663080      5.636089      5.572767
  C      -4.603480      4.779170      6.005503
  O      -4.226697      3.795412      5.244490
  C      -3.795700      4.897453      7.258201
  C      -6.202528      5.467233      4.272403
  C      -7.275719      6.219676      3.816606
  O      -7.742147      6.020088      2.567372
  C     -11.607089      4.989446      3.800762
  C     -10.988041      5.184618      5.168686
  O     -11.498130      6.003836      5.939896
  C      -9.801393      4.388800      5.598936
  C      -9.355379      4.625379      6.911932
  C      -8.257090      3.977768      7.459203
  O      -7.876106      4.280689      8.720313
  C      -7.536872      3.024838      6.668880
  C      -6.353386      2.388162      7.227400
  O      -5.976993      2.642791      8.403296
  C      -5.551625      1.375221      6.404922
  C      -7.985403      2.784321      5.355734
  C      -9.084568      3.440196      4.812881
  O      -9.377069      3.096773      3.520904
  H      -3.797868     -2.145560     -2.673463
  H      -5.487218     -2.453963     -3.210479
  H      -4.812384     -3.231862     -1.734133
  H      -6.114128      0.847093     -0.047378
  H      -4.782701      2.221883      2.931677
  H      -2.001940     -0.799284      4.370585
  H      -0.907434      0.123765      3.331618
  H      -2.060183     -1.271647      1.859641
  H      -2.137099     -2.645975      0.177983
  H     -10.260085      8.251002      5.979332
  H      -9.125646      9.571510      5.610191
  H     -10.592141      9.342333      4.604495
  H      -7.816266      8.061118      6.663704
  H      -6.366948      7.344315      8.188963
  H      -3.474967      5.940834      7.431392
  H      -4.429469      4.626789      8.129129
  H      -5.773924      4.715636      3.610800
  H      -8.512487      6.688684      2.484229
  H     -10.919066      5.341474      3.010978
  H     -11.872794      3.936977      3.614923
  H     -12.512998      5.602555      3.737813
  H      -9.895934      5.359099      7.510002
  H      -7.051403      3.710263      8.871979
  H      -5.642615      1.606457      5.337916
  H      -6.033721      0.387564      6.562331
  H      -7.460993      2.089786      4.700753
  H      -9.938202      3.777717      3.110519
  N      -1.367353      3.924659      4.583244
  H      -0.593389      4.343266      5.103411
  H      -1.956718      4.694336      4.253928
  H      -0.972469      3.465929      3.759063
96
Coordinates from ORCA-job orca E -6661.817020291284
  N      -1.438676      1.070661      5.157280
  Mo     -2.795610      2.430577      5.845755
  N      -4.148922      1.307281      6.747772
  C      -3.838670      0.586199      7.974822
  C      -2.340085      0.365190      8.020010
  N      -1.656260      1.639332      7.642152
  C      -0.255665      1.396334      7.212069
  C      -0.289283      0.621167      5.907651
  C      -1.695031      2.607036      8.778449
  C      -1.717221      4.002853      8.185637
  N      -2.692630      3.978477      7.118025
  H       0.662130      0.771682      5.358543
  H      -0.350148     -0.470456      6.105674
  H       0.213430      2.379514      7.070659
  H       0.301561      0.859271      7.999391
  H      -1.979782      4.741513      8.960602
  H      -0.713174      4.282074      7.809467
  H      -2.631036      2.439494      9.325445
  H      -0.846121      2.418667      9.457587
  H      -4.354061     -0.392612      7.993618
  H      -4.193623      1.142312      8.860133
  H      -2.056148     -0.394499      7.283132
  H      -1.997771      0.036914      9.016010
  C      -4.804342     -2.307955     -2.357968
  C      -5.312734     -1.127852     -1.561284
  O      -6.308017     -0.512140     -1.959375
  C      -4.629303     -0.697817     -0.309394
  C      -5.192275      0.405540      0.364177
  C      -4.667123      0.925425      1.535707
  O      -5.282594      1.995639      2.103681
  C      -3.498668      0.325192      2.116255
  C      -2.939919      0.808620      3.327798
  O      -3.461801      1.833445      3.948759
  C      -1.756861      0.228046      4.030017
  C      -2.932549     -0.788115      1.438113
  C      -3.469761     -1.291967      0.263879
  O      -2.886532     -2.370647     -0.358258
  C      -9.802657      8.822980      5.087017
  C      -9.077709      7.874774      4.169429
  O      -9.511367      7.718628      2.990455
  C      -7.915649      7.146004      4.636318
  C      -7.379692      7.322158      5.935575
  C      -6.295919      6.595862      6.385994
  O      -5.790250      6.765787      7.653588
  C      -5.684234      5.610239      5.548015
  C      -4.621636      4.760348      5.988015
  O      -4.240003      3.774346      5.232418
  C      -3.817690      4.885858      7.242502
  C      -6.215702      5.435222      4.245159
  C      -7.287961      6.183581      3.780014
  O      -7.751135      5.972466      2.531445
  C     -11.591049      5.065599      3.878133
  C     -10.986320      5.216888      5.257894
  O     -11.501653      6.013633      6.048635
  C      -9.797820      4.414372      5.670027
  C      -9.342556      4.632593      6.982962
  C      -8.242049      3.975072      7.513844
  O      -7.853118      4.257567      8.777221
  C      -7.530523      3.030135      6.706292
  C      -6.346025      2.381878      7.249375
  O      -5.960052      2.623554      8.424811
  C      -5.558605      1.367685      6.414530
  C      -7.989603      2.806630      5.393681
  C      -9.090595      3.472926      4.867314
  O      -9.402510      3.136821      3.578007
  H      -3.769257     -2.142546     -2.689430
  H      -5.459855     -2.446142     -3.225210
  H      -4.788193     -3.220650     -1.745561
  H      -6.080800      0.864024     -0.071478
  H      -4.756963      2.235254      2.912891
  H      -1.997200     -0.807397      4.366371
  H      -0.896857      0.118912      3.335562
  H      -2.045690     -1.271907      1.856394
  H      -2.117425     -2.643391      0.173731
  H     -10.294272      8.254173      5.892433
  H      -9.119527      9.547227      5.553638
  H     -10.568803      9.357902      4.515068
  H      -7.846912      8.038175      6.615088
  H      -6.410254      7.326417      8.154119
  H      -3.500291      5.930895      7.411706
  H      -4.452757      4.617684      8.113212
  H      -5.782869      4.680545      3.589930
  H      -8.532086      6.628454      2.446417
  H     -10.898598      5.449453      3.107257
  H     -11.846740      4.018213      3.653759
  H     -12.500542      5.674542      3.827501
  H      -9.877328      5.359610      7.594258
  H      -7.030879      3.680423      8.916609
  H      -5.657938      1.603835      5.349272
  H      -6.043943      0.381874      6.572919
  H      -7.474024      2.116211      4.727481
  H      -9.975081      3.816714      3.181985
  N      -1.379123      3.911486      4.575111
  H      -0.596886      4.323095      5.088635
  H      -1.965969      4.685992      4.252809
  H      -0.995325      3.451901      3.746002
96
Coordinates from ORCA-job orca E -6661.817021403116
  N      -1.439376      1.068806      5.162734
  Mo     -2.790562      2.433261      5.850006
  N      -4.143703      1.316015      6.760464
  C      -3.832240      0.599065      7.989335
  C      -2.333732      0.374848      8.031953
  N      -1.647444      1.645201      7.645819
  C      -0.248660      1.395420      7.212962
  C      -0.289060      0.617099      5.910412
  C      -1.679165      2.617826      8.778255
  C      -1.697301      4.010544      8.178124
  N      -2.678217      3.985771      7.115807
  H       0.660386      0.762842      5.356767
  H      -0.353057     -0.473761      6.111528
  H       0.224699      2.376105      7.068711
  H       0.307703      0.857506      8.000279
  H      -1.951304      4.755266      8.950148
  H      -0.693973      4.281717      7.794409
  H      -2.614217      2.457337      9.328847
  H      -0.829038      2.428628      9.455578
  H      -4.348828     -0.379035      8.012592
  H      -4.185108      1.158762      8.873209
  H      -2.054164     -0.389335      7.298007
  H      -1.988652      0.051087      9.028408
  C      -4.837540     -2.280082     -2.350999
  C      -5.336780     -1.098162     -1.551301
  O      -6.341600     -0.488715     -1.934747
  C      -4.649664     -0.676233     -0.298902
  C      -5.211140      0.421946      0.384196
  C      -4.684834      0.931819      1.559473
  O      -5.305775      1.990540      2.143644
  C      -3.514074      0.328446      2.131915
  C      -2.949116      0.808905      3.341307
  O      -3.458913      1.842169      3.959028
  C      -1.764917      0.224746      4.038761
  C      -2.950459     -0.781166      1.445742
  C      -3.489862     -1.275929      0.268706
  O      -2.908296     -2.350381     -0.362051
  C      -9.802290      8.819544      5.112088
  C      -9.074196      7.878167      4.189827
  O      -9.523956      7.703511      3.019600
  C      -7.905504      7.156424      4.650183
  C      -7.361264      7.336634      5.945407
  C      -6.275076      6.610913      6.390721
  O      -5.764172      6.780559      7.656108
  C      -5.669954      5.621843      5.552082
  C      -4.608519      4.769529      5.990672
  O      -4.234639      3.778623      5.237327
  C      -3.799029      4.897821      7.240812
  C      -6.207960      5.445323      4.252338
  C      -7.282467      6.193490      3.792013
  O      -7.753877      5.980397      2.546829
  C     -11.561012      5.037924      3.809298
  C     -10.985386      5.181741      5.202322
  O     -11.497866      5.997032      5.975830
  C      -9.804053      4.378921      5.633966
  C      -9.364065      4.604010      6.950858
  C      -8.267707      3.952013      7.497048
  O      -7.895397      4.240261      8.763857
  C      -7.542550      3.007876      6.700148
  C      -6.354293      2.373953      7.252355
  O      -5.967099      2.634991      8.423561
  C      -5.553248      1.365779      6.423673
  C      -7.989130      2.774522      5.384744
  C      -9.087254      3.433941      4.844259
  O      -9.383870      3.092359      3.552687
  H      -3.805501     -2.116403     -2.692372
  H      -5.501439     -2.418541     -3.211766
  H      -4.816644     -3.192043     -1.737598
  H      -6.101869      0.882299     -0.044946
  H      -4.787311      2.213831      2.962165
  H      -2.006349     -0.809124      4.378848
  H      -0.908760      0.111790      3.340063
  H      -2.061668     -1.266803      1.857672
  H      -2.138393     -2.627188      0.166669
  H     -10.277487      8.246929      5.924823
  H      -9.123980      9.554651      5.568527
  H     -10.581714      9.341929      4.546609
  H      -7.825131      8.053063      6.626639
  H      -6.381413      7.341804      8.159247
  H      -3.476615      5.942474      7.403139
  H      -4.431290      4.636542      8.115399
  H      -5.779970      4.688420      3.596590
  H      -8.533583      6.637727      2.464780
  H     -10.845328      5.408714      3.053212
  H     -11.828785      3.994383      3.581418
  H     -12.459246      5.661254      3.737062
  H      -9.907670      5.332333      7.552652
  H      -7.077048      3.660814      8.917788
  H      -5.651977      1.597818      5.357082
  H      -6.030155      0.376138      6.583083
  H      -7.462864      2.084294      4.726704
  H      -9.957558      3.767011      3.149547
  N      -1.374253      3.905998      4.569718
  H      -0.573935      4.297761      5.070509
  H      -1.953989      4.694454      4.268711
  H      -1.015997      3.449672      3.727422
96
Coordinates from ORCA-job orca E -6661.817108007221
  N      -1.435439      1.070176      5.161613
  Mo     -2.788473      2.433731      5.848160
  N      -4.144583      1.314756      6.751776
  C      -3.836031      0.593805      7.979340
  C      -2.337643      0.370497      8.025432
  N      -1.650790      1.642582      7.645560
  C      -0.250822      1.394921      7.215794
  C      -0.286834      0.618607      5.911957
  C      -1.686910      2.612660      8.780108
  C      -1.704024      4.007003      8.183832
  N      -2.680649      3.983844      7.117378
  H       0.664397      0.766367      5.361903
  H      -0.350302     -0.472648      6.111166
  H       0.221590      2.376421      7.073771
  H       0.304299      0.856699      8.003747
  H      -1.962382      4.749003      8.957010
  H      -0.699340      4.280773      7.805514
  H      -2.623719      2.449610      9.326996
  H      -0.838982      2.422799      9.460069
  H      -4.352423     -0.384430      7.997844
  H      -4.191089      1.150505      8.864230
  H      -2.054904     -0.390926      7.289756
  H      -1.996040      0.043068      9.021941
  C      -4.832616     -2.288205     -2.348754
  C      -5.335222     -1.108481     -1.547819
  O      -6.331160     -0.490331     -1.940466
  C      -4.646963     -0.683514     -0.296946
  C      -5.205839      0.418546      0.382079
  C      -4.676521      0.933025      1.554010
  O      -5.291906      1.998257      2.131448
  C      -3.506686      0.329656      2.128163
  C      -2.941642      0.811733      3.337181
  O      -3.454038      1.843569      3.954581
  C      -1.757879      0.227735      4.035796
  C      -2.945602     -0.783564      1.445709
  C      -3.487419     -1.282440      0.271353
  O      -2.908884     -2.360785     -0.355644
  C      -9.804001      8.814783      5.103643
  C      -9.074390      7.873609      4.182393
  O      -9.522699      7.698580      3.011658
  C      -7.906504      7.151790      4.644714
  C      -7.364869      7.331242      5.941079
  C      -6.278703      6.606369      6.388063
  O      -5.769076      6.776635      7.653895
  C      -5.671118      5.618761      5.549685
  C      -4.609545      4.767215      5.988892
  O      -4.230838      3.779555      5.233792
  C      -3.803476      4.893836      7.241726
  C      -6.206857      5.442303      4.248897
  C      -7.281158      6.189617      3.786965
  O      -7.749029      5.977580      2.540322
  C     -11.582465      5.040305      3.835740
  C     -10.987905      5.194196      5.219722
  O     -11.504172      5.998733      6.001971
  C      -9.804002      4.390846      5.643255
  C      -9.357751      4.613038      6.958613
  C      -8.258263      3.960670      7.497839
  O      -7.876156      4.250601      8.761551
  C      -7.537989      3.016915      6.696406
  C      -6.351933      2.376517      7.245638
  O      -5.970495      2.623101      8.421724
  C      -5.553234      1.369769      6.412743
  C      -7.988822      2.788448      5.381750
  C      -9.089241      3.449222      4.847328
  O      -9.388825      3.113203      3.555093
  H      -3.798321     -2.124585     -2.683590
  H      -5.491567     -2.423041     -3.213887
  H      -4.816411     -3.202199     -1.738287
  H      -6.095562      0.879397     -0.048615
  H      -4.768855      2.228625      2.944851
  H      -2.000072     -0.806492      4.374393
  H      -0.900036      0.115464      3.339107
  H      -2.058610     -1.270566      1.859937
  H      -2.139127     -2.637395      0.173406
  H     -10.280955      8.242112      5.915321
  H      -9.126625      9.549672      5.561822
  H     -10.582247      9.337428      4.536718
  H      -7.830764      8.046737      6.621976
  H      -6.388226      7.336206      8.156609
  H      -3.483626      5.938611      7.408329
  H      -4.437944      4.628488      8.113602
  H      -5.776292      4.686874      3.593006
  H      -8.528716      6.634878      2.456682
  H     -10.877448      5.406855      3.067773
  H     -11.852798      3.994981      3.618409
  H     -12.482588      5.661802      3.771875
  H      -9.897773      5.340805      7.564354
  H      -7.051211      3.678643      8.906655
  H      -5.648994      1.607739      5.347304
  H      -6.034017      0.380960      6.566204
  H      -7.465865      2.099344      4.719888
  H      -9.965604      3.788333      3.157050
  N      -1.368805      3.909946      4.576529
  H      -0.553849      4.278986      5.070925
  H      -1.940231      4.713385      4.300310
  H      -1.031617      3.464528      3.719798
96
Coordinates from ORCA-job orca E -6661.817100269837
  N      -1.437215      1.072418      5.159503
  Mo     -2.789575      2.435485      5.849035
  N      -4.144211      1.315452      6.753378
  C      -3.834021      0.594584      7.980594
  C      -2.335606      0.370882      8.024273
  N      -1.649300      1.643116      7.644307
  C      -0.249897      1.396552      7.212291
  C      -0.287116      0.621419      5.907821
  C      -1.684105      2.611839      8.779903
  C      -1.702938      4.006870      8.185491
  N      -2.680668      3.984161      7.120022
  H       0.663299      0.770557      5.356696
  H      -0.349248     -0.470071      6.106121
  H       0.221623      2.378513      7.070390
  H       0.306847      0.858127      7.998960
  H      -1.961457      4.747424      8.959995
  H      -0.698932      4.282359      7.806731
  H      -2.620009      2.447520      9.327997
  H      -0.835053      2.421671      9.458365
  H      -4.350526     -0.383596      7.999807
  H      -4.187642      1.151279      8.866003
  H      -2.053983     -0.390095      7.287759
  H      -1.992720      0.042806      9.020128
  C      -4.833094     -2.298390     -2.345864
  C      -5.337733     -1.118780     -1.546056
  O      -6.334201     -0.502164     -1.939740
  C      -4.649148     -0.690351     -0.296538
  C      -5.209085      0.412294      0.380661
  C      -4.679297      0.930308      1.550857
  O      -5.293697      1.998215      2.124273
  C      -3.508366      0.329455      2.125626
  C      -2.944149      0.812654      3.334660
  O      -3.461766      1.839699      3.955637
  C      -1.759258      0.230676      4.032877
  C      -2.945773     -0.783774      1.444421
  C      -3.487860     -1.285933      0.271631
  O      -2.907972     -2.364446     -0.353831
  C      -9.800616      8.824974      5.121839
  C      -9.074967      7.883101      4.198234
  O      -9.518946      7.720290      3.024042
  C      -7.909574      7.155900      4.658848
  C      -7.368372      7.330587      5.956059
  C      -6.282679      6.603900      6.401108
  O      -5.772562      6.771183      7.667192
  C      -5.674931      5.618913      5.559706
  C      -4.611951      4.767502      5.995767
  O      -4.232936      3.781722      5.238375
  C      -3.804388      4.892472      7.247842
  C      -6.210894      5.446115      4.258513
  C      -7.284744      6.195318      3.798444
  O      -7.751851      5.986855      2.550998
  C     -11.580572      5.027910      3.817664
  C     -10.983656      5.192405      5.199465
  O     -11.497647      6.004003      5.975909
  C      -9.799782      4.391467      5.627421
  C      -9.351802      4.622916      6.940640
  C      -8.253994      3.971404      7.484278
  O      -7.873934      4.265021      8.747809
  C      -7.535760      3.021001      6.689072
  C      -6.349412      2.384052      7.241561
  O      -5.962870      2.644127      8.412973
  C      -5.553010      1.370059      6.415220
  C      -7.988539      2.782906      5.376846
  C      -9.088322      3.441536      4.838413
  O      -9.390997      3.094406      3.550003
  H      -3.799168     -2.133229     -2.681063
  H      -5.491943     -2.435319     -3.210745
  H      -4.815129     -3.211705     -1.734456
  H      -6.099408      0.871380     -0.050653
  H      -4.767026      2.234798      2.933556
  H      -1.999611     -0.804373      4.370357
  H      -0.901450      0.120504      3.335875
  H      -2.057766     -1.268685      1.858905
  H      -2.137192     -2.638605      0.174997
  H     -10.284075      8.251735      5.929194
  H      -9.119485      9.552782      5.585725
  H     -10.573448      9.355894      4.555189
  H      -7.833478      8.044928      6.638732
  H      -6.391713      7.329276      8.171564
  H      -3.485569      5.937236      7.416196
  H      -4.437240      4.624578      8.120182
  H      -5.780256      4.692709      3.600360
  H      -8.532391      6.643613      2.469216
  H     -10.874632      5.382400      3.044991
  H     -11.857472      3.981888      3.611875
  H     -12.477412      5.653530      3.748434
  H      -9.890739      5.355215      7.541865
  H      -7.055054      3.686162      8.899392
  H      -5.649192      1.601705      5.348541
  H      -6.035088      0.382830      6.574978
  H      -7.467895      2.087320      4.719988
  H      -9.970583      3.764995      3.148282
  N      -1.371072      3.911785      4.577236
  H      -0.535133      4.252667      5.056707
  H      -1.931573      4.732754      4.332402
  H      -1.065988      3.477430      3.702889
96
Coordinates from ORCA-job orca E -6661.817121519020
  N      -1.437881      1.070932      5.160173
  Mo     -2.791982      2.433277      5.847944
  N      -4.146064      1.312442      6.752285
  C      -3.835522      0.591768      7.979449
  C      -2.336893      0.369899      8.023911
  N      -1.651918      1.642953      7.644194
  C      -0.251986      1.397798      7.213218
  C      -0.287612      0.621694      5.909276
  C      -1.688649      2.612010      8.779486
  C      -1.708616      4.006922      8.184724
  N      -2.685148      3.982766      7.118129
  H       0.662921      0.771500      5.358503
  H      -0.348615     -0.469736      6.108289
  H       0.218484      2.380250      7.071092
  H       0.304946      0.860489      8.000535
  H      -1.969011      4.747257      8.958813
  H      -0.704524      4.283657      7.807115
  H      -2.624749      2.446787      9.326981
  H      -0.839795      2.423007      9.458520
  H      -4.350975     -0.386990      7.998549
  H      -4.190109      1.148080      8.864784
  H      -2.054036     -0.390757      7.287548
  H      -1.994097      0.042302      9.019957
  C      -4.822077     -2.295351     -2.352341
  C      -5.327351     -1.115803     -1.552856
  O      -6.326909     -0.502688     -1.944193
  C      -4.641351     -0.689137     -0.301299
  C      -5.203907      0.411270      0.377407
  C      -4.676722      0.927459      1.549601
  O      -5.294815      1.991851      2.125633
  C      -3.505598      0.327300      2.124625
  C      -2.942730      0.810107      3.334377
  O      -3.459670      1.838371      3.954075
  C      -1.758316      0.228438      4.033693
  C      -2.940665     -0.784003      1.442197
  C      -3.480369     -1.284592      0.267666
  O      -2.898200     -2.361195     -0.359024
  C      -9.803019      8.820452      5.101084
  C      -9.075654      7.876624      4.180845
  O      -9.521334      7.706000      3.008456
  C      -7.909526      7.152384      4.644125
  C      -7.369620      7.330092      5.941457
  C      -6.284721      6.603919      6.389353
  O      -5.776298      6.773455      7.655832
  C      -5.676466      5.616709      5.550876
  C      -4.614455      4.765649      5.989960
  O      -4.235171      3.778218      5.234869
  C      -3.808286      4.892244      7.242746
  C      -6.210889      5.441380      4.249368
  C      -7.283779      6.190185      3.786482
  O      -7.749220      5.980300      2.538621
  C     -11.576515      5.051904      3.840788
  C     -10.985915      5.199636      5.227207
  O     -11.502110      6.003279      6.010416
  C      -9.802450      4.395278      5.649640
  C      -9.353642      4.618209      6.964044
  C      -8.254600      3.964239      7.502165
  O      -7.871941      4.251760      8.766322
  C      -7.536808      3.019136      6.700268
  C      -6.350237      2.378447      7.247979
  O      -5.965094      2.628240      8.422080
  C      -5.555210      1.368121      6.415754
  C      -7.990819      2.789077      5.387034
  C      -9.091428      3.450682      4.853908
  O      -9.396315      3.110494      3.564196
  H      -3.788501     -2.129367     -2.688154
  H      -5.481268     -2.433260     -3.216818
  H      -4.802954     -3.208425     -1.740566
  H      -6.094562      0.869646     -0.053989
  H      -4.771548      2.225263      2.938078
  H      -1.998884     -0.806582      4.371123
  H      -0.899756      0.118346      3.337606
  H      -2.052336     -1.268266      1.856767
  H      -2.127882     -2.635400      0.170460
  H     -10.284544      8.249254      5.911034
  H      -9.123390      9.551801      5.561582
  H     -10.577536      9.347191      4.532827
  H      -7.835632      8.045671      6.622202
  H      -6.395958      7.332713      8.158279
  H      -3.488819      5.937107      7.409451
  H      -4.442303      4.626676      8.114910
  H      -5.779719      4.686499      3.593275
  H      -8.527044      6.639824      2.453740
  H     -10.866743      5.414245      3.075285
  H     -11.853619      4.008557      3.622008
  H     -12.472382      5.679244      3.774542
  H      -9.891851      5.346996      7.570159
  H      -7.050620      3.674886      8.912145
  H      -5.652718      1.604097      5.350128
  H      -6.037014      0.380299      6.572367
  H      -7.470824      2.097486      4.725462
  H      -9.979385      3.781487      3.168218
  N      -1.373244      3.907865      4.575087
  H      -0.532105      4.242638      5.049775
  H      -1.930309      4.732612      4.335306
  H      -1.076261      3.473432      3.697937
96
Coordinates from ORCA-job orca E -6661.817119175012
  N      -1.436416      1.071008      5.161805
  Mo     -2.788621      2.434454      5.848504
  N      -4.144034      1.316596      6.754467
  C      -3.835204      0.597541      7.982911
  C      -2.336864      0.372551      8.027829
  N      -1.649455      1.643528      7.645551
  C      -0.249847      1.394637      7.214901
  C      -0.287911      0.617908      5.911381
  C      -1.683636      2.614314      8.779451
  C      -1.699753      4.007959      8.181623
  N      -2.678042      3.985149      7.116641
  H       0.662743      0.763592      5.359854
  H      -0.353086     -0.473108      6.111307
  H       0.223216      2.375737      7.072486
  H       0.305243      0.856029      8.002583
  H      -1.955740      4.751424      8.954194
  H      -0.695567      4.279802      7.800967
  H      -2.620178      2.453147      9.327314
  H      -0.835524      2.423705      9.458927
  H      -4.352519     -0.380177      8.003774
  H      -4.188950      1.156321      8.866979
  H      -2.056172     -0.390291      7.292887
  H      -1.993908      0.046577      9.024299
  C      -4.834505     -2.288150     -2.348099
  C      -5.337205     -1.108540     -1.547059
  O      -6.333997     -0.491276     -1.939000
  C      -4.648492     -0.683027     -0.296940
  C      -5.207337      0.418892      0.382376
  C      -4.678980      0.932471      1.555004
  O      -5.295468      1.996722      2.133619
  C      -3.509109      0.328995      2.129282
  C      -2.944282      0.811091      3.338152
  O      -3.457018      1.842624      3.956384
  C      -1.760352      0.227832      4.036461
  C      -2.947768     -0.783892      1.446481
  C      -3.488919     -1.282050      0.271602
  O      -2.909634     -2.359738     -0.355672
  C      -9.804363      8.816695      5.117877
  C      -9.074822      7.878270      4.193799
  O      -9.521522      7.709055      3.021628
  C      -7.907378      7.154418      4.654199
  C      -7.364984      7.331545      5.950611
  C      -6.278424      6.605998      6.395402
  O      -5.768215      6.774028      7.661257
  C      -5.671223      5.619959      5.554757
  C      -4.608887      4.768064      5.991969
  O      -4.232108      3.780439      5.236034
  C      -3.801326      4.894102      7.243611
  C      -6.207953      5.445693      4.254260
  C      -7.282876      6.193608      3.794502
  O      -7.752530      5.982511      2.548381
  C     -11.575754      5.033334      3.817462
  C     -10.986389      5.188928      5.203498
  O     -11.503294      5.996867      5.981730
  C      -9.803244      4.386956      5.631897
  C      -9.357452      4.615767      6.946155
  C      -8.258504      3.965702      7.489382
  O      -7.877218      4.261730      8.751726
  C      -7.538443      3.017409      6.693010
  C      -6.351429      2.380794      7.244894
  O      -5.969266      2.633861      8.419420
  C      -5.552832      1.370934      6.416189
  C      -7.989591      2.781447      5.379717
  C      -9.089467      3.439987      4.841560
  O      -9.390126      3.095997      3.551706
  H      -3.800535     -2.124175     -2.683606
  H      -5.493999     -2.423433     -3.212725
  H      -4.817458     -3.201975     -1.737445
  H      -6.097083      0.879741     -0.048251
  H      -4.773192      2.225624      2.947985
  H      -2.000711     -0.806256      4.376636
  H      -0.903605      0.115854      3.338385
  H      -2.060331     -1.270383      1.860279
  H      -2.139924     -2.636157      0.173517
  H     -10.281355      8.241313      5.927545
  H      -9.126804      9.549983      5.578287
  H     -10.582457      9.341233      4.552558
  H      -7.829993      8.046259      6.632884
  H      -6.386010      7.334250      8.164868
  H      -3.481815      5.938921      7.410326
  H      -4.434269      4.627587      8.116211
  H      -5.778164      4.691034      3.597042
  H      -8.533759      6.638341      2.467083
  H     -10.866147      5.394564      3.051264
  H     -11.849263      3.988356      3.602532
  H     -12.473198      5.658037      3.747827
  H      -9.897520      5.346914      7.547738
  H      -7.052661      3.689909      8.900391
  H      -5.649238      1.605150      5.349945
  H      -6.033491      0.382557      6.572815
  H      -7.467229      2.088046      4.721947
  H      -9.969443      3.767370      3.150999
  N      -1.370029      3.908119      4.571122
  H      -0.542779      4.262311      5.055862
  H      -1.934932      4.720664      4.309116
  H      -1.051438      3.464773      3.706139
96
Coordinates from ORCA-job orca E -6661.817127627090
  N      -1.436519      1.072300      5.160743
  Mo     -2.790291      2.434260      5.848089
  N      -4.144628      1.314209      6.752940
  C      -3.834941      0.594425      7.980782
  C      -2.336405      0.371296      8.025610
  N      -1.650558      1.643542      7.644788
  C      -0.250645      1.396974      7.214006
  C      -0.287424      0.620639      5.910251
  C      -1.686318      2.613277      8.779523
  C      -1.704372      4.007592      8.183323
  N      -2.681694      3.984183      7.117388
  H       0.663248      0.767948      5.359145
  H      -0.351000     -0.470561      6.109748
  H       0.220761      2.378923      7.071800
  H       0.305486      0.859095      8.001468
  H      -1.962660      4.749504      8.956614
  H      -0.700297      4.281960      7.804166
  H      -2.622719      2.450024      9.327043
  H      -0.838006      2.423369      9.458962
  H      -4.351146     -0.383898      8.000799
  H      -4.189298      1.152004      8.865382
  H      -2.054550     -0.390346      7.289878
  H      -1.993395      0.044543      9.021825
  C      -4.830168     -2.293581     -2.348081
  C      -5.333621     -1.113376     -1.548382
  O      -6.330962     -0.497343     -1.940878
  C      -4.645587     -0.686457     -0.298290
  C      -5.205222      0.415849      0.379780
  C      -4.676921      0.931384      1.551623
  O      -5.292765      1.997337      2.127589
  C      -3.506920      0.329043      2.126842
  C      -2.943100      0.811643      3.336052
  O      -3.458446      1.841239      3.955314
  C      -1.758809      0.229426      4.034766
  C      -2.944676     -0.784020      1.445048
  C      -3.485583     -1.283969      0.270812
  O      -2.905693     -2.362083     -0.355247
  C      -9.803684      8.818977      5.110344
  C      -9.074762      7.878681      4.187702
  O      -9.520230      7.709961      3.014987
  C      -7.908109      7.154343      4.649495
  C      -7.367676      7.330843      5.946803
  C      -6.282238      6.604600      6.393244
  O      -5.773633      6.772477      7.659790
  C      -5.674226      5.618402      5.553374
  C      -4.612240      4.766615      5.991507
  O      -4.234216      3.779371      5.235702
  C      -3.805500      4.892653      7.243780
  C      -6.209070      5.444555      4.251992
  C      -7.282557      6.193441      3.790496
  O      -7.749051      5.984127      2.542901
  C     -11.575339      5.042938      3.828308
  C     -10.985459      5.194049      5.214637
  O     -11.502896      5.998520      5.996114
  C      -9.802389      4.390421      5.640006
  C      -9.355851      4.615220      6.954748
  C      -8.257306      3.962617      7.495668
  O      -7.876514      4.252858      8.759586
  C      -7.537910      3.016586      6.696178
  C      -6.351170      2.377923      7.246148
  O      -5.966990      2.630411      8.420081
  C      -5.553636      1.368633      6.415516
  C      -7.989757      2.784537      5.382478
  C      -9.089617      3.445124      4.846678
  O      -9.391435      3.104262      3.556331
  H      -3.796223     -2.129388     -2.683601
  H      -5.489438     -2.430131     -3.212692
  H      -4.812760     -3.206777     -1.736474
  H      -6.094977      0.875931     -0.051658
  H      -4.768879      2.229574      2.939989
  H      -1.998518     -0.805154      4.373953
  H      -0.901374      0.118744      3.337345
  H      -2.057175     -1.269774      1.859613
  H      -2.135826     -2.637483      0.174255
  H     -10.282655      8.244897      5.919760
  H      -9.125422      9.551348      5.571213
  H     -10.580208      9.344568      4.543817
  H      -7.833466      8.045617      6.628511
  H      -6.392095      7.332694      8.162607
  H      -3.486603      5.937564      7.411109
  H      -4.438843      4.625637      8.115963
  H      -5.778210      4.690235      3.595059
  H      -8.527910      6.642581      2.459403
  H     -10.865048      5.403946      3.062679
  H     -11.851630      3.999022      3.611441
  H     -12.471391      5.669793      3.760149
  H      -9.895459      5.344599      7.558897
  H      -7.054171      3.677711      8.907209
  H      -5.650798      1.603817      5.349611
  H      -6.034251      0.380187      6.571836
  H      -7.468249      2.092520      4.722570
  H      -9.972295      3.775869      3.158208
  N      -1.372395      3.908643      4.571469
  H      -0.538584      4.254286      5.051152
  H      -1.933673      4.726519      4.318434
  H      -1.063917      3.467886      3.701495
96
Coordinates from ORCA-job orca E -6661.817128290066
  N      -1.438099      1.071977      5.160843
  Mo     -2.791801      2.434063      5.848973
  N      -4.145055      1.313229      6.754410
  C      -3.834296      0.593703      7.982137
  C      -2.335669      0.371346      8.025978
  N      -1.650614      1.643938      7.644972
  C      -0.250970      1.398339      7.213008
  C      -0.288090      0.621489      5.909603
  C      -1.686144      2.613426      8.779882
  C      -1.705568      4.008041      8.184456
  N      -2.682670      3.984013      7.118262
  H       0.662263      0.769324      5.358036
  H      -0.350673     -0.469702      6.109494
  H       0.219340      2.380710      7.069904
  H       0.306578      0.861407      8.000136
  H      -1.965227      4.748995      8.958189
  H      -0.701691      4.284108      7.805995
  H      -2.622033      2.449210      9.328028
  H      -0.837140      2.424001      9.458598
  H      -4.350028     -0.384876      8.002556
  H      -4.188333      1.151127      8.866973
  H      -2.053843     -0.389949      7.289897
  H      -1.992110      0.044405      9.021955
  C      -4.826264     -2.292725     -2.350854
  C      -5.331587     -1.113869     -1.550358
  O      -6.330327     -0.499568     -1.942010
  C      -4.644804     -0.687381     -0.299349
  C      -5.206448      0.413329      0.379685
  C      -4.679005      0.928801      1.552002
  O      -5.296627      1.993248      2.128688
  C      -3.508102      0.327868      2.126797
  C      -2.944814      0.810386      3.336309
  O      -3.461304      1.839005      3.956246
  C      -1.759998      0.228952      4.034907
  C      -2.943964     -0.783644      1.444020
  C      -3.484000     -1.283563      0.269393
  O      -2.902373     -2.360264     -0.357577
  C      -9.802977      8.821433      5.111278
  C      -9.075530      7.879670      4.188960
  O      -9.521427      7.711194      3.016376
  C      -7.909251      7.154621      4.650685
  C      -7.367812      7.331945      5.947444
  C      -6.282355      6.605629      6.393717
  O      -5.772576      6.774536      7.659678
  C      -5.675152      5.618659      5.554166
  C      -4.613100      4.767004      5.992220
  O      -4.235542      3.779052      5.237084
  C      -3.805855      4.893329      7.244190
  C      -6.211189      5.443667      4.253366
  C      -7.284792      6.192511      3.792078
  O      -7.752412      5.982138      2.545081
  C     -11.572716      5.043950      3.826382
  C     -10.984294      5.194454      5.213439
  O     -11.501021      6.000386      5.993912
  C      -9.801650      4.390663      5.639465
  C      -9.354127      4.617401      6.953600
  C      -8.255612      3.965042      7.494831
  O      -7.874083      4.256637      8.758289
  C      -7.536994      3.017667      6.696317
  C      -6.350520      2.378970      7.246725
  O      -5.967205      2.630988      8.420970
  C      -5.554207      1.367420      6.417425
  C      -7.989843      2.783609      5.383364
  C      -9.089967      3.443575      4.847256
  O      -9.393243      3.099872      3.558104
  H      -3.792545     -2.126697     -2.686183
  H      -5.485250     -2.429647     -3.215636
  H      -4.807552     -3.206364     -1.739930
  H      -6.096952      0.872269     -0.051425
  H      -4.773345      2.225520      2.941484
  H      -1.999427     -0.805845      4.373672
  H      -0.902422      0.118803      3.337597
  H      -2.055710     -1.268353      1.858232
  H      -2.132158     -2.634971      0.171788
  H     -10.282755      8.248451      5.920998
  H      -9.123606      9.552968      5.571843
  H     -10.578777      9.347993      4.544635
  H      -7.832808      8.047517      6.628874
  H      -6.390712      7.334984      8.162652
  H      -3.486343      5.938148      7.410915
  H      -4.438997      4.627282      8.116831
  H      -5.781132      4.688585      3.596778
  H      -8.530999      6.640927      2.461557
  H     -10.859418      5.399166      3.060869
  H     -11.854832      4.001045      3.611756
  H     -12.465339      5.675365      3.755499
  H      -9.892932      5.348028      7.556958
  H      -7.052157      3.681099      8.906319
  H      -5.651570      1.600922      5.351231
  H      -6.035278      0.379517      6.575752
  H      -7.469332      2.089968      4.724362
  H      -9.977157      3.768952      3.160128
  N      -1.374186      3.906078      4.570399
  H      -0.528828      4.236964      5.040233
  H      -1.928337      4.733056      4.331713
  H      -1.083941      3.468329      3.692650
96
Coordinates from ORCA-job orca E -6661.817130495069
  N      -1.437474      1.072540      5.160703
  Mo     -2.791409      2.434286      5.848253
  N      -4.144954      1.313846      6.753653
  C      -3.834835      0.594538      7.981661
  C      -2.336265      0.371662      8.026018
  N      -1.650859      1.643983      7.644800
  C      -0.251050      1.397951      7.213356
  C      -0.288200      0.621050      5.910015
  C      -1.686433      2.613757      8.779446
  C      -1.704718      4.008104      8.183335
  N      -2.681812      3.984501      7.117084
  H       0.662382      0.767834      5.358612
  H      -0.351931     -0.470048      6.110080
  H       0.219583      2.380163      7.070362
  H       0.305986      0.860822      8.000699
  H      -1.963605      4.749833      8.956586
  H      -0.700720      4.283001      7.804462
  H      -2.622693      2.450424      9.327205
  H      -0.837972      2.423899      9.458715
  H      -4.350949     -0.383824      8.002280
  H      -4.188959      1.152452      8.866142
  H      -2.054660     -0.390007      7.290240
  H      -1.992833      0.045061      9.022135
  C      -4.825991     -2.294064     -2.350161
  C      -5.331015     -1.114760     -1.550113
  O      -6.329310     -0.500063     -1.942326
  C      -4.644056     -0.687842     -0.299470
  C      -5.205145      0.413514      0.378999
  C      -4.677940      0.928961      1.551372
  O      -5.295326      1.993820      2.127747
  C      -3.507526      0.327555      2.126797
  C      -2.944415      0.810289      3.336228
  O      -3.460673      1.839393      3.955752
  C      -1.759717      0.229090      4.034993
  C      -2.943868     -0.784569      1.444607
  C      -3.483720     -1.284472      0.269896
  O      -2.902396     -2.361647     -0.356480
  C      -9.804190      8.819855      5.112567
  C      -9.075336      7.880003      4.189395
  O      -9.520618      7.712257      3.016494
  C      -7.909027      7.154933      4.651024
  C      -7.368440      7.331089      5.948313
  C      -6.282986      6.604665      6.394432
  O      -5.774042      6.772421      7.660849
  C      -5.675144      5.618609      5.554237
  C      -4.613027      4.766775      5.992024
  O      -4.235578      3.779229      5.236397
  C      -3.805838      4.892739      7.243986
  C      -6.210351      5.444868      4.252990
  C      -7.283829      6.193984      3.791802
  O      -7.750576      5.984913      2.544250
  C     -11.572823      5.045560      3.826990
  C     -10.984935      5.194887      5.214387
  O     -11.503340      5.998440      5.996153
  C      -9.801976      4.391214      5.639969
  C      -9.354801      4.617062      6.954316
  C      -8.256209      3.964622      7.495357
  O      -7.875145      4.255385      8.759064
  C      -7.537306      3.017866      6.696310
  C      -6.350568      2.379299      7.246412
  O      -5.966722      2.631731      8.420434
  C      -5.554098      1.368356      6.416735
  C      -7.989924      2.784557      5.383114
  C      -9.089999      3.444780      4.847257
  O      -9.393146      3.101836      3.557841
  H      -3.792128     -2.128597     -2.685297
  H      -5.484860     -2.430958     -3.215029
  H      -4.807791     -3.207514     -1.738949
  H      -6.095255      0.872823     -0.052533
  H      -4.772331      2.225716      2.940852
  H      -1.998480     -0.805546      4.374629
  H      -0.902427      0.118864      3.337318
  H      -2.055955     -1.269554      1.859210
  H      -2.132508     -2.636542      0.173253
  H     -10.282711      8.245390      5.921960
  H      -9.125895      9.552211      5.573416
  H     -10.581011      9.345485      4.546485
  H      -7.833952      8.045929      6.630148
  H      -6.391975      7.333187      8.163707
  H      -3.487150      5.937650      7.411551
  H      -4.438772      4.625289      8.116355
  H      -5.779717      4.690541      3.595919
  H      -8.529062      6.643810      2.460840
  H     -10.859622      5.402632      3.062272
  H     -11.853522      4.002614      3.610801
  H     -12.466138      5.676049      3.756669
  H      -9.894016      5.347036      7.558095
  H      -7.053081      3.679921      8.906940
  H      -5.651606      1.602266      5.350613
  H      -6.035061      0.380305      6.574493
  H      -7.469233      2.091411      4.723747
  H      -9.976892      3.771249      3.160197
  N      -1.374192      3.906330      4.567924
  H      -0.531320      4.240882      5.039577
  H      -1.929703      4.730983      4.324454
  H      -1.079931      3.466151      3.692739
96
Coordinates from ORCA-job orca E -6661.817131086043
  N      -1.436513      1.074067      5.160763
  Mo     -2.790885      2.435140      5.848095
  N      -4.144278      1.314422      6.753281
  C      -3.834606      0.595115      7.981396
  C      -2.336040      0.372286      8.026230
  N      -1.650668      1.644583      7.645019
  C      -0.250725      1.398526      7.213797
  C      -0.287950      0.621514      5.910568
  C      -1.686412      2.614455      8.779549
  C      -1.703602      4.008672      8.183081
  N      -2.680401      3.985590      7.116448
  H       0.662901      0.767173      5.359372
  H      -0.352879     -0.469487      6.110829
  H       0.219835      2.380747      7.070712
  H       0.306226      0.861464      8.001238
  H      -1.962136      4.750922      8.955943
  H      -0.699441      4.282713      7.804180
  H      -2.623052      2.451798      9.326854
  H      -0.838489      2.424129      9.459364
  H      -4.350730     -0.383233      8.001912
  H      -4.189102      1.153123      8.865659
  H      -2.054427     -0.389487      7.290561
  H      -1.992655      0.045853      9.022404
  C      -4.829465     -2.295206     -2.347182
  C      -5.333410     -1.115058     -1.547679
  O      -6.330765     -0.499237     -1.940577
  C      -4.645430     -0.687488     -0.297923
  C      -5.204918      0.415269      0.379622
  C      -4.676915      0.931124      1.551407
  O      -5.292535      1.997665      2.126709
  C      -3.507204      0.328737      2.127299
  C      -2.943831      0.811598      3.336466
  O      -3.459980      1.840928      3.955978
  C      -1.759184      0.230369      4.035193
  C      -2.944987     -0.784652      1.445960
  C      -3.485591     -1.284899      0.271752
  O      -2.905602     -2.363292     -0.353734
  C      -9.805086      8.818966      5.116444
  C      -9.075502      7.880800      4.192107
  O      -9.520587      7.714081      3.019014
  C      -7.908590      7.156124      4.652910
  C      -7.367899      7.331717      5.950235
  C      -6.282150      6.605359      6.395749
  O      -5.773272      6.772259      7.662262
  C      -5.674335      5.619807      5.554950
  C      -4.612392      4.767502      5.992425
  O      -4.235528      3.780003      5.236535
  C      -3.805089      4.893035      7.244258
  C      -6.209472      5.446863      4.253627
  C      -7.283128      6.196080      3.792959
  O      -7.749886      5.987688      2.545281
  C     -11.569728      5.045989      3.822085
  C     -10.985093      5.192388      5.211168
  O     -11.505000      5.994596      5.993284
  C      -9.802619      4.388341      5.637537
  C      -9.356810      4.613486      6.952428
  C      -8.258341      3.961324      7.494102
  O      -7.878328      4.251933      8.758094
  C      -7.538247      3.015426      6.695076
  C      -6.351427      2.377394      7.245678
  O      -5.968275      2.629822      8.419967
  C      -5.553373      1.367997      6.415772
  C      -7.989710      2.782538      5.381385
  C      -9.089647      3.442522      4.844974
  O      -9.391512      3.100168      3.555087
  H      -3.795406     -2.130963     -2.682310
  H      -5.488429     -2.431821     -3.212018
  H      -4.812242     -3.208386     -1.735547
  H      -6.094483      0.875351     -0.052219
  H      -4.768539      2.229972      2.939073
  H      -1.997336     -0.804155      4.375479
  H      -0.902207      0.120183      3.337101
  H      -2.057592     -1.270339      1.860848
  H      -2.135928     -2.638573      0.176105
  H     -10.281496      8.243263      5.926189
  H      -9.127545      9.552422      5.576677
  H     -10.583518      9.343356      4.551448
  H      -7.833566      8.045988      6.632551
  H      -6.390600      7.333618      8.165191
  H      -3.487016      5.937970      7.412681
  H      -4.437794      4.624310      8.116402
  H      -5.778770      4.692922      3.596153
  H      -8.528300      6.646682      2.462172
  H     -10.853610      5.401896      3.059578
  H     -11.852452      4.003907      3.604291
  H     -12.461365      5.678641      3.750034
  H      -9.896852      5.342944      7.556090
  H      -7.055646      3.677358      8.906156
  H      -5.650744      1.602328      5.349713
  H      -6.033329      0.379337      6.572667
  H      -7.468190      2.089957      4.722085
  H      -9.975926      3.769095      3.157612
  N      -1.374525      3.906364      4.564519
  H      -0.532110      4.242518      5.035806
  H      -1.929904      4.729971      4.317309
  H      -1.079449      3.462724      3.691365
96
Coordinates from ORCA-job orca E -6661.817132007524
  N      -1.436820      1.073708      5.160892
  Mo     -2.791075      2.435023      5.847868
  N      -4.144527      1.314828      6.753474
  C      -3.835091      0.595745      7.981795
  C      -2.336583      0.372614      8.026712
  N      -1.651036      1.644662      7.645108
  C      -0.251120      1.398324      7.213894
  C      -0.288528      0.620880      5.910955
  C      -1.686666      2.614902      8.779291
  C      -1.703080      4.008932      8.182341
  N      -2.679650      3.986022      7.115430
  H       0.662451      0.765863      5.359810
  H      -0.354001     -0.470021      6.111599
  H       0.219456      2.380468      7.070355
  H       0.305903      0.861544      8.001477
  H      -1.961437      4.751606      8.954844
  H      -0.698767      4.282372      7.803492
  H      -2.623519      2.452827      9.326415
  H      -0.839025      2.424405      9.459416
  H      -4.351488     -0.382450      8.002564
  H      -4.189496      1.154106      8.865864
  H      -2.055166     -0.389448      7.291276
  H      -1.993231      0.046428      9.022976
  C      -4.826483     -2.294950     -2.348817
  C      -5.331195     -1.115263     -1.549112
  O      -6.328972     -0.500045     -1.941900
  C      -4.643978     -0.687947     -0.298871
  C      -5.204265      0.414256      0.378931
  C      -4.677099      0.929764      1.551239
  O      -5.293785      1.995448      2.127023
  C      -3.507324      0.327684      2.127371
  C      -2.944371      0.810588      3.336695
  O      -3.460552      1.840154      3.955877
  C      -1.759672      0.229652      4.035568
  C      -2.944383     -0.785230      1.445843
  C      -3.484200     -1.285168      0.271150
  O      -2.903452     -2.363046     -0.354521
  C      -9.805505      8.818583      5.117618
  C      -9.075600      7.881150      4.192768
  O      -9.520350      7.715222      3.019451
  C      -7.908881      7.156080      4.653477
  C      -7.368420      7.331114      5.950971
  C      -6.282586      6.604744      6.396271
  O      -5.773797      6.771260      7.662861
  C      -5.674564      5.619640      5.555091
  C      -4.612420      4.767385      5.992239
  O      -4.235778      3.779912      5.236248
  C      -3.804847      4.892861      7.243882
  C      -6.209629      5.447084      4.253694
  C      -7.283293      6.196409      3.793207
  O      -7.749793      5.988584      2.545334
  C     -11.570260      5.046816      3.822848
  C     -10.985533      5.193241      5.211899
  O     -11.506156      5.994528      5.994462
  C      -9.802871      4.389357      5.638096
  C      -9.356388      4.615238      6.952626
  C      -8.257699      3.963319      7.494155
  O      -7.877278      4.254359      8.757917
  C      -7.538017      3.016977      6.695291
  C      -6.350984      2.379184      7.245706
  O      -5.967488      2.632041      8.419786
  C      -5.553654      1.368913      6.416173
  C      -7.990167      2.783303      5.381979
  C      -9.090411      3.442948      4.845755
  O      -9.393166      3.099481      3.556394
  H      -3.792390     -2.130168     -2.683561
  H      -5.485121     -2.431574     -3.213900
  H      -4.809075     -3.208316     -1.737464
  H      -6.093899      0.874067     -0.053056
  H      -4.770820      2.226984      2.940286
  H      -1.997562     -0.804789      4.376258
  H      -0.902790      0.119380      3.337365
  H      -2.056919     -1.270672      1.860876
  H      -2.133933     -2.638243      0.175587
  H     -10.281137      8.242421      5.927474
  H      -9.128229      9.552402      5.577678
  H     -10.584510      9.342580      4.553057
  H      -7.834189      8.045128      6.633488
  H      -6.390990      7.332717      8.165846
  H      -3.487283      5.937848      7.412781
  H      -4.437264      4.623302      8.116001
  H      -5.778756      4.693459      3.595973
  H      -8.528133      6.647649      2.462315
  H     -10.853417      5.400578      3.060058
  H     -11.855047      4.005035      3.606131
  H     -12.460778      5.680955      3.750129
  H      -9.896161      5.344982      7.556182
  H      -7.054768      3.679565      8.906054
  H      -5.651122      1.602779      5.350021
  H      -6.034028      0.380541      6.573634
  H      -7.469122      2.090177      4.722876
  H      -9.979040      3.767311      3.159213
  N      -1.375012      3.904893      4.561974
  H      -0.529973      4.237918      5.030772
  H      -1.928428      4.730426      4.316832
  H      -1.084080      3.460669      3.687729
96
Coordinates from ORCA-job orca E -6661.817132256953
  N      -1.436723      1.073860      5.160711
  Mo     -2.790978      2.435282      5.847727
  N      -4.144532      1.315158      6.753211
  C      -3.835220      0.595679      7.981356
  C      -2.336722      0.372604      8.026370
  N      -1.651179      1.644705      7.645007
  C      -0.251239      1.398471      7.213861
  C      -0.288454      0.621121      5.910863
  C      -1.687012      2.614859      8.779242
  C      -1.703015      4.008948      8.182422
  N      -2.679275      3.986342      7.115197
  H       0.662616      0.766283      5.359911
  H      -0.353815     -0.469809      6.111379
  H       0.219292      2.380646      7.070363
  H       0.305815      0.861716      8.001443
  H      -1.961465      4.751587      8.954922
  H      -0.698541      4.282234      7.803906
  H      -2.624062      2.452819      9.326050
  H      -0.839588      2.424222      9.459608
  H      -4.351607     -0.382531      8.001709
  H      -4.189766      1.153723      8.865564
  H      -2.055147     -0.389334      7.290867
  H      -1.993517      0.046253      9.022636
  C      -4.825956     -2.295748     -2.348745
  C      -5.330956     -1.116188     -1.549042
  O      -6.328911     -0.501241     -1.941789
  C      -4.643815     -0.688681     -0.298787
  C      -5.204358      0.413418      0.378961
  C      -4.677172      0.929206      1.551156
  O      -5.294026      1.994836      2.126806
  C      -3.507205      0.327463      2.127235
  C      -2.944245      0.810555      3.336509
  O      -3.460588      1.839999      3.955703
  C      -1.759456      0.229773      4.035402
  C      -2.944029     -0.785360      1.445750
  C      -3.483846     -1.285561      0.271168
  O      -2.902921     -2.363372     -0.354473
  C      -9.805747      8.818635      5.118640
  C      -9.075779      7.881406      4.193619
  O      -9.520480      7.715641      3.020266
  C      -7.909131      7.156198      4.654270
  C      -7.368637      7.331014      5.951769
  C      -6.282702      6.604667      6.396876
  O      -5.773790      6.771049      7.663438
  C      -5.674639      5.619791      5.555466
  C      -4.612358      4.767582      5.992348
  O      -4.235623      3.780287      5.236156
  C      -3.804724      4.892869      7.243979
  C      -6.209800      5.447383      4.254069
  C      -7.283549      6.196704      3.793797
  O      -7.750179      5.989078      2.545940
  C     -11.569410      5.047852      3.822033
  C     -10.985710      5.193305      5.211628
  O     -11.506585      5.994428      5.994194
  C      -9.803164      4.389356      5.637950
  C      -9.356450      4.615579      6.952361
  C      -8.257611      3.963867      7.493812
  O      -7.876917      4.255259      8.757439
  C      -7.538006      3.017398      6.695038
  C      -6.350872      2.379756      7.245358
  O      -5.967346      2.632574      8.419432
  C      -5.553633      1.369396      6.415781
  C      -7.990485      2.783265      5.381929
  C      -9.090945      3.442626      4.845777
  O      -9.394280      3.098368      3.556785
  H      -3.791897     -2.130724     -2.683480
  H      -5.484550     -2.432526     -3.213840
  H      -4.808352     -3.209117     -1.737398
  H      -6.094148      0.872959     -0.052993
  H      -4.771025      2.226662      2.939963
  H      -1.997407     -0.804703      4.375953
  H      -0.902494      0.119538      3.337295
  H      -2.056433     -1.270577      1.860764
  H      -2.133274     -2.638338      0.175572
  H     -10.280944      8.242482      5.928754
  H      -9.128535      9.552710      5.578403
  H     -10.585074      9.342363      4.554273
  H      -7.834431      8.044879      6.634430
  H      -6.391103      7.332202      8.166620
  H      -3.487434      5.937856      7.413325
  H      -4.437084      4.622780      8.115991
  H      -5.778896      4.693919      3.596183
  H      -8.528657      6.647972      2.463189
  H     -10.851507      5.400608      3.059780
  H     -11.855536      4.006449      3.605149
  H     -12.459056      5.683131      3.748609
  H      -9.896077      5.345501      7.555833
  H      -7.054364      3.680548      8.905544
  H      -5.650956      1.603407      5.349656
  H      -6.034136      0.381075      6.573154
  H      -7.469632      2.089861      4.722962
  H      -9.981344      3.765307      3.159843
  N      -1.375006      3.904854      4.561532
  H      -0.528661      4.236060      5.029277
  H      -1.927417      4.731557      4.318062
  H      -1.086143      3.461018      3.686401
