90
Coordinates from ORCA-job orca E -6562.158429977500
  N      -1.583629      0.882658      5.460909
  Mo     -2.756299      2.361708      4.867536
  N      -4.319878      2.056199      5.957574
  C      -4.254774      2.345375      7.372497
  C      -2.807657      2.198833      7.846035
  N      -1.905561      2.894991      6.916079
  C      -0.537758      2.374824      7.012979
  C      -0.493710      0.980578      6.389910
  C      -1.882484      4.345903      7.166458
  C      -1.891838      4.998907      5.777270
  N      -2.948631      4.325671      5.065389
  H       0.475785      0.819781      5.887571
  H      -0.586470      0.199168      7.162807
  H       0.112812      3.047232      6.448138
  H      -0.204104      2.352506      8.058331
  H      -2.047187      6.082357      5.844125
  H      -0.932438      4.830528      5.274106
  H      -2.795143      4.639489      7.689927
  H      -1.017862      4.634953      7.771126
  H      -4.877595      1.649476      7.951658
  H      -4.632468      3.364539      7.568540
  H      -2.569468      1.133535      7.823620
  H      -2.681825      2.577882      8.867927
  C      -3.723717     -6.546309      3.368110
  C      -2.862558     -5.324042      3.489079
  O      -1.716302     -5.374167      3.895306
  C      -3.490015     -4.024297      3.126538
  C      -4.644514     -3.924137      2.342382
  C      -5.173736     -2.676309      2.061170
  C      -4.573737     -1.546596      2.572106
  F      -5.143342     -0.345808      2.285623
  C      -3.415444     -1.595641      3.374181
  C      -2.857210     -0.400118      3.961191
  O      -3.277788      0.743343      3.658237
  C      -1.701959     -0.438064      4.916282
  C      -2.893256     -2.872902      3.617538
  C      -5.436611     12.044887      2.478497
  C      -4.778198     10.695374      2.372841
  O      -3.933095     10.461123      1.525830
  C      -5.198862      9.658165      3.347450
  C      -6.130393      9.896156      4.370507
  C      -6.480634      8.870503      5.231167
  C      -5.900814      7.626440      5.098700
  F      -6.321118      6.647312      5.943181
  C      -4.945779      7.344609      4.103921
  C      -4.276717      6.062521      3.910320
  O      -3.770303      5.765597      2.818889
  C      -4.176184      5.085740      5.085205
  C      -4.638664      8.394570      3.231112
  C      -8.237472     -5.546571      4.337866
  C      -7.143544     -4.619197      4.795708
  O      -6.065884     -5.049954      5.176512
  C      -7.425948     -3.167716      4.759552
  C      -8.653988     -2.635389      4.333311
  C      -8.833117     -1.265512      4.313447
  C      -7.812978     -0.423094      4.709041
  F      -8.065677      0.912549      4.649953
  C      -6.567280     -0.905534      5.145794
  C      -5.417163     -0.095668      5.561083
  O      -4.345050     -0.621052      5.852846
  C      -5.549093      1.426875      5.571448
  C      -6.422097     -2.296720      5.156531
  H      -3.186502     -7.411889      3.747244
  H      -4.630125     -6.386468      3.949491
  H      -3.996161     -6.717618      2.329836
  H      -5.120611     -4.802197      1.941760
  H      -6.058730     -2.568841      1.453019
  H      -0.781718     -0.739526      4.377901
  H      -1.882013     -1.173606      5.714041
  H      -2.003972     -2.984873      4.217297
  H      -5.220750     12.487580      3.448492
  H      -6.514266     11.943940      2.371854
  H      -5.053749     12.693210      1.694207
  H      -6.586092     10.863079      4.494596
  H      -7.211394      9.022918      6.010433
  H      -4.262321      5.648349      6.023604
  H      -5.035964      4.404197      5.026590
  H      -3.921194      8.209154      2.444128
  H      -9.120816     -5.414576      4.958463
  H      -7.895377     -6.575658      4.415899
  H      -8.502737     -5.329552      3.305882
  H      -9.460801     -3.274294      4.018891
  H      -9.765361     -0.830042      3.987595
  H      -6.386994      1.711064      6.226581
  H      -5.812596      1.723823      4.549303
  H      -5.475186     -2.704518      5.481605
  N      -1.306137      2.756055      3.358092
  N      -0.455421      2.987393      2.472599
  H      -0.364063      3.914988      2.058125
  H       0.171704      2.255176      2.139219
90
Coordinates from ORCA-job orca E -6562.175689834170
  N      -1.542050      0.872628      5.465344
  Mo     -2.683411      2.386610      4.873275
  N      -4.283271      2.062672      5.934797
  C      -4.245629      2.348552      7.361607
  C      -2.810915      2.181808      7.859985
  N      -1.875532      2.881061      6.947968
  C      -0.508814      2.334939      7.064100
  C      -0.472730      0.944991      6.425539
  C      -1.850014      4.343298      7.210939
  C      -1.831087      5.016743      5.834351
  N      -2.882196      4.356045      5.092973
  H       0.512195      0.780963      5.945334
  H      -0.591000      0.150737      7.189269
  H       0.163007      3.009230      6.520088
  H      -0.196728      2.298943      8.120107
  H      -1.985090      6.104149      5.915457
  H      -0.858216      4.852591      5.343465
  H      -2.775550      4.633777      7.722775
  H      -0.993345      4.617769      7.843118
  H      -4.883192      1.650201      7.927209
  H      -4.623253      3.371523      7.562242
  H      -2.578797      1.111877      7.832642
  H      -2.696006      2.552547      8.891040
  C      -3.978158     -6.447421      3.292427
  C      -3.031615     -5.281818      3.418112
  O      -1.902667     -5.402441      3.879370
  C      -3.559852     -3.948173      3.003229
  C      -4.678757     -3.804023      2.166208
  C      -5.140147     -2.532884      1.846321
  C      -4.515038     -1.422951      2.380684
  F      -5.034693     -0.209450      2.061848
  C      -3.388171     -1.514315      3.238922
  C      -2.808991     -0.351550      3.875465
  O      -3.204283      0.821256      3.599508
  C      -1.681229     -0.435150      4.867857
  C      -2.926083     -2.815375      3.506095
  C      -5.490359     12.074779      2.458323
  C      -4.791376     10.737025      2.376791
  O      -3.901075     10.532205      1.559857
  C      -5.224047      9.672843      3.330729
  C      -6.207286      9.880329      4.317638
  C      -6.568407      8.838165      5.163350
  C      -5.945263      7.607174      5.046424
  F      -6.375264      6.612570      5.867339
  C      -4.940237      7.353293      4.089643
  C      -4.219258      6.078832      3.913837
  O      -3.668471      5.811162      2.842351
  C      -4.126883      5.091579      5.088885
  C      -4.623821      8.418838      3.232465
  C      -8.187498     -5.681223      4.603178
  C      -7.122040     -4.713853      5.066655
  O      -6.065139     -5.122830      5.543880
  C      -7.402797     -3.258709      4.911339
  C      -8.607217     -2.765506      4.366147
  C      -8.789769     -1.394776      4.229246
  C      -7.792988     -0.515971      4.624464
  F      -8.040783      0.810212      4.443563
  C      -6.571325     -0.953886      5.178009
  C      -5.431588     -0.114542      5.602737
  O      -4.395779     -0.651437      6.011419
  C      -5.513804      1.423395      5.517000
  C      -6.426500     -2.346972      5.306187
  H      -3.516785     -7.344026      3.715214
  H      -4.903707     -6.203771      3.837225
  H      -4.228430     -6.629672      2.240513
  H      -5.184865     -4.672951      1.756735
  H      -6.001376     -2.390944      1.197340
  H      -0.748961     -0.740651      4.343955
  H      -1.896549     -1.198790      5.636804
  H      -2.066875     -2.963002      4.155905
  H      -5.330469     12.524535      3.445822
  H      -6.569075     11.950521      2.306018
  H      -5.087958     12.739414      1.689280
  H      -6.697703     10.843007      4.426549
  H      -7.341687      8.966545      5.917687
  H      -4.261529      5.641569      6.034639
  H      -4.972898      4.389031      4.994602
  H      -3.864506      8.254665      2.470356
  H      -9.118941     -5.512841      5.156923
  H      -7.846796     -6.705983      4.773997
  H      -8.392693     -5.537207      3.535606
  H      -9.396830     -3.438613      4.045935
  H      -9.706557     -0.987920      3.807686
  H      -6.371970      1.749823      6.126928
  H      -5.737364      1.694459      4.472779
  H      -5.493988     -2.723422      5.721298
  N      -1.206999      2.797718      3.447745
  N      -0.338159      3.032385      2.574659
  H      -0.226264      3.972150      2.163348
  H       0.302442      2.297247      2.239035
90
Coordinates from ORCA-job orca E -6562.186143357661
  N      -1.432345      0.841365      5.486737
  Mo     -2.571225      2.379806      4.910590
  N      -4.173915      2.064900      6.009921
  C      -4.095703      2.351743      7.446380
  C      -2.651027      2.177729      7.907311
  N      -1.721394      2.874256      6.960823
  C      -0.349506      2.308525      7.049366
  C      -0.344386      0.911339      6.426953
  C      -1.687486      4.355255      7.204785
  C      -1.705931      5.025302      5.830524
  N      -2.781221      4.362580      5.117313
  H       0.636337      0.736955      5.932307
  H      -0.451477      0.121987      7.204241
  H       0.315600      2.977129      6.484370
  H      -0.015306      2.283937      8.102782
  H      -1.860030      6.116803      5.915150
  H      -0.743234      4.861240      5.309451
  H      -2.603654      4.644938      7.741671
  H      -0.813076      4.625740      7.823404
  H      -4.726481      1.659777      8.031882
  H      -4.458315      3.381155      7.659912
  H      -2.416898      1.105333      7.878676
  H      -2.501412      2.554919      8.935877
  C      -3.821276     -6.519686      3.477056
  C      -2.918690     -5.305206      3.545956
  O      -1.758015     -5.384200      3.956734
  C      -3.504385     -3.986360      3.132976
  C      -4.671250     -3.885366      2.343969
  C      -5.174348     -2.624689      2.006818
  C      -4.545773     -1.482235      2.480302
  F      -5.109474     -0.296001      2.142923
  C      -3.374614     -1.527874      3.298907
  C      -2.766669     -0.365492      3.903991
  O      -3.161468      0.835190      3.643982
  C      -1.615218     -0.460289      4.870095
  C      -2.875716     -2.821632      3.579073
  C      -5.764946     11.974247      2.400236
  C      -5.003294     10.663585      2.338740
  O      -4.100094     10.493530      1.518609
  C      -5.381991      9.580566      3.307486
  C      -6.377023      9.753528      4.295233
  C      -6.691212      8.704586      5.161004
  C      -6.003529      7.500343      5.053561
  F      -6.381048      6.495555      5.887167
  C      -4.988175      7.279780      4.097654
  C      -4.195884      6.023719      3.933919
  O      -3.643479      5.778248      2.866933
  C      -4.049056      5.054617      5.127231
  C      -4.720298      8.349190      3.224129
  C      -8.475685     -5.466605      4.239526
  C      -7.366148     -4.582208      4.778566
  O      -6.331385     -5.082228      5.233578
  C      -7.566577     -3.100056      4.727808
  C      -8.745246     -2.507713      4.209947
  C      -8.859120     -1.116484      4.165002
  C      -7.813106     -0.323303      4.624926
  F      -7.979268      1.025208      4.539647
  C      -6.615806     -0.858612      5.154367
  C      -5.429799     -0.094183      5.629086
  O      -4.421720     -0.707608      6.013528
  C      -5.426938      1.452193      5.585537
  C      -6.543111     -2.267398      5.191136
  H      -3.295410     -7.392825      3.887452
  H      -4.738382     -6.319834      4.063161
  H      -4.117335     -6.730409      2.433242
  H      -5.180109     -4.781967      1.977752
  H      -6.071568     -2.515061      1.388797
  H      -0.695100     -0.775738      4.322437
  H      -1.821124     -1.235871      5.636061
  H      -1.978518     -2.936422      4.196372
  H      -5.632517     12.451849      3.387901
  H      -6.846160     11.804150      2.251177
  H      -5.389021     12.647690      1.618218
  H      -6.915945     10.701337      4.391142
  H      -7.474348      8.804677      5.920141
  H      -4.205753      5.608890      6.073210
  H      -4.873466      4.318678      5.045130
  H      -3.950234      8.209031      2.458725
  H      -9.414640     -5.293634      4.795792
  H      -8.182304     -6.520317      4.341450
  H      -8.670764     -5.239660      3.175754
  H      -9.570952     -3.122252      3.838253
  H      -9.755441     -0.629230      3.766265
  H      -6.273269      1.800306      6.205333
  H      -5.650407      1.764661      4.549548
  H      -5.627167     -2.719494      5.582733
  N      -1.147319      2.774892      3.529405
  N      -0.310369      2.985595      2.613882
  H      -0.195902      3.922283      2.173492
  H       0.328668      2.242634      2.265128
90
Coordinates from ORCA-job orca E -6562.194825222202
  N      -1.420041      0.807160      5.516691
  Mo     -2.506108      2.388535      4.919199
  N      -4.145767      2.082968      6.000182
  C      -4.077664      2.379309      7.436237
  C      -2.642367      2.184742      7.912267
  N      -1.681087      2.861249      6.972317
  C      -0.324294      2.256982      7.081875
  C      -0.351837      0.853351      6.474839
  C      -1.626746      4.348284      7.211494
  C      -1.635090      5.026390      5.845659
  N      -2.715314      4.383489      5.123933
  H       0.636178      0.650270      6.004239
  H      -0.490513      0.074427      7.258114
  H       0.362697      2.908279      6.523427
  H      -0.007686      2.235808      8.140488
  H      -1.779410      6.118538      5.939744
  H      -0.675305      4.856649      5.321900
  H      -2.542781      4.640233      7.747141
  H      -0.754789      4.596691      7.843178
  H      -4.724527      1.700188      8.018756
  H      -4.427864      3.414176      7.642136
  H      -2.417153      1.110772      7.889864
  H      -2.490291      2.565733      8.938654
  C      -4.005450     -6.456966      3.420636
  C      -3.074756     -5.265521      3.526690
  O      -1.938833     -5.381579      3.996162
  C      -3.590654     -3.928349      3.084539
  C      -4.721744     -3.789158      2.247049
  C      -5.161149     -2.510514      1.881888
  C      -4.513113     -1.388525      2.379007
  F      -5.009458     -0.182920      2.009545
  C      -3.382925     -1.470331      3.250490
  C      -2.760884     -0.341406      3.881510
  O      -3.130807      0.883132      3.630309
  C      -1.635152     -0.475784      4.872696
  C      -2.940280     -2.784170      3.551139
  C      -5.880810     11.934044      2.400171
  C      -5.073640     10.651227      2.350753
  O      -4.143493     10.521843      1.553641
  C      -5.435371      9.542953      3.296852
  C      -6.461227      9.670905      4.258312
  C      -6.761941      8.606361      5.110255
  C      -6.025433      7.429269      5.007408
  F      -6.380718      6.402318      5.822523
  C      -4.982695      7.254042      4.077000
  C      -4.136703      6.019686      3.923918
  O      -3.557704      5.805444      2.870467
  C      -3.987038      5.055595      5.123083
  C      -4.727307      8.336522      3.219725
  C      -8.412406     -5.479939      4.358130
  C      -7.328450     -4.573760      4.911791
  O      -6.320965     -5.056353      5.439634
  C      -7.514427     -3.095157      4.794083
  C      -8.667152     -2.520091      4.203943
  C      -8.775613     -1.130875      4.101742
  C      -7.742137     -0.328715      4.574846
  F      -7.894134      1.017537      4.444132
  C      -6.568637     -0.847650      5.167276
  C      -5.394958     -0.065882      5.654725
  O      -4.412623     -0.662399      6.117292
  C      -5.384027      1.470616      5.549926
  C      -6.504001     -2.251911      5.264601
  H      -3.519467     -7.339569      3.857704
  H      -4.947270     -6.239321      3.955518
  H      -4.258630     -6.666806      2.365543
  H      -5.248670     -4.668219      1.866295
  H      -6.025210     -2.368740      1.225834
  H      -0.709756     -0.809978      4.343928
  H      -1.876188     -1.261075      5.619291
  H      -2.075571     -2.929504      4.205300
  H      -5.797848     12.410057      3.394040
  H      -6.952408     11.733148      2.222532
  H      -5.505255     12.624674      1.634066
  H      -7.034832     10.598452      4.345245
  H      -7.566193      8.670560      5.849309
  H      -4.178600      5.605236      6.066688
  H      -4.798491      4.307905      5.023976
  H      -3.934158      8.229735      2.473309
  H      -9.379939     -5.283931      4.854638
  H      -8.125149     -6.527003      4.520575
  H      -8.559194     -5.300858      3.277599
  H      -9.479027     -3.147033      3.824521
  H      -9.652372     -0.655099      3.651877
  H      -6.247744      1.850898      6.128737
  H      -5.576314      1.748599      4.499609
  H      -5.605684     -2.690328      5.708004
  N      -1.097239      2.764361      3.635137
  N      -0.269940      2.951050      2.702039
  H      -0.146614      3.874271      2.243118
  H       0.366567      2.206087      2.361058
90
Coordinates from ORCA-job orca E -6562.201072474290
  N      -1.375410      0.772812      5.544700
  Mo     -2.426496      2.377681      4.918284
  N      -4.094484      2.086766      5.996701
  C      -4.020094      2.400932      7.422665
  C      -2.588124      2.198170      7.902960
  N      -1.613100      2.854058      6.961248
  C      -0.268317      2.230367      7.085946
  C      -0.319113      0.815156      6.507543
  C      -1.550093      4.342304      7.189236
  C      -1.569138      5.019918      5.826079
  N      -2.653318      4.384103      5.109798
  H       0.671641      0.587358      6.053967
  H      -0.472715      0.055814      7.306052
  H       0.428264      2.864340      6.521842
  H       0.041234      2.224981      8.145494
  H      -1.712173      6.110408      5.926143
  H      -0.617330      4.850744      5.291657
  H      -2.462362      4.631085      7.730615
  H      -0.678353      4.582527      7.821535
  H      -4.674677      1.737535      8.013358
  H      -4.358866      3.440942      7.616520
  H      -2.367098      1.124738      7.892979
  H      -2.428291      2.591522      8.921681
  C      -4.078773     -6.429475      3.465878
  C      -3.136162     -5.252082      3.573487
  O      -2.004745     -5.388142      4.040845
  C      -3.625134     -3.911209      3.129099
  C      -4.757843     -3.754741      2.298788
  C      -5.162122     -2.470464      1.920941
  C      -4.484667     -1.361607      2.401235
  F      -4.942526     -0.143771      2.019366
  C      -3.359423     -1.458112      3.272820
  C      -2.720276     -0.345609      3.894284
  O      -3.084628      0.887840      3.639186
  C      -1.604724     -0.497097      4.892750
  C      -2.947789     -2.781724      3.582299
  C      -6.035080     11.847615      2.425692
  C      -5.182793     10.598252      2.377922
  O      -4.237989     10.511001      1.597038
  C      -5.515918      9.468894      3.303553
  C      -6.558530      9.549126      4.246955
  C      -6.834860      8.470711      5.084984
  C      -6.053831      7.324226      4.982367
  F      -6.380780      6.276658      5.782245
  C      -4.995405      7.197946      4.067854
  C      -4.100049      5.993418      3.915635
  O      -3.508723      5.809429      2.865011
  C      -3.927558      5.038007      5.116702
  C      -4.763462      8.292278      3.225381
  C      -8.433939     -5.379407      4.269672
  C      -7.370987     -4.489404      4.879000
  O      -6.397853     -4.983847      5.450977
  C      -7.530039     -3.011454      4.761168
  C      -8.646185     -2.420640      4.127034
  C      -8.734627     -1.033327      4.023913
  C      -7.710257     -0.248886      4.538620
  F      -7.840894      1.099114      4.407429
  C      -6.570074     -0.786275      5.173246
  C      -5.396269     -0.024343      5.694685
  O      -4.455142     -0.633206      6.205866
  C      -5.335954      1.499946      5.545557
  C      -6.528294     -2.186755      5.274232
  H      -3.599578     -7.315273      3.897918
  H      -5.017976     -6.209764      3.998413
  H      -4.335442     -6.632778      2.413259
  H      -5.306657     -4.622072      1.931373
  H      -6.021225     -2.311896      1.267071
  H      -0.678238     -0.844982      4.374336
  H      -1.859944     -1.284361      5.631527
  H      -2.087184     -2.943398      4.232053
  H      -5.989498     12.316257      3.422208
  H      -7.093727     11.612880      2.230727
  H      -5.671806     12.556461      1.673737
  H      -7.164499     10.452222      4.330469
  H      -7.649918      8.498337      5.809261
  H      -4.136145      5.586387      6.056274
  H      -4.727763      4.280190      5.017765
  H      -3.958251      8.221561      2.491474
  H      -9.421430     -5.176234      4.714604
  H      -8.165061     -6.427465      4.441243
  H      -8.528086     -5.195142      3.187162
  H      -9.446497     -3.035497      3.714411
  H      -9.583869     -0.546422      3.542451
  H      -6.199003      1.924724      6.095228
  H      -5.508928      1.752370      4.487825
  H      -5.654561     -2.637064      5.748112
  N      -1.059624      2.734555      3.698126
  N      -0.262820      2.892292      2.724104
  H      -0.152559      3.796175      2.241809
  H       0.365232      2.146120      2.392055
90
Coordinates from ORCA-job orca E -6562.204804044521
  N      -1.372799      0.741874      5.576066
  Mo     -2.369602      2.366700      4.900272
  N      -4.067249      2.114519      5.966252
  C      -3.995508      2.460206      7.379411
  C      -2.571043      2.242437      7.878126
  N      -1.571953      2.859809      6.937492
  C      -0.244832      2.209093      7.087991
  C      -0.328567      0.779263      6.548464
  C      -1.483777      4.347291      7.146945
  C      -1.506347      5.012901      5.778121
  N      -2.599924      4.383148      5.072886
  H       0.662262      0.511117      6.117092
  H      -0.508712      0.049431      7.368471
  H       0.469657      2.811396      6.512598
  H       0.057234      2.225383      8.149098
  H      -1.639368      6.104404      5.874729
  H      -0.561338      4.832634      5.236837
  H      -2.388781      4.650861      7.691385
  H      -0.608168      4.580943      7.774754
  H      -4.665067      1.822214      7.981196
  H      -4.317985      3.509898      7.549662
  H      -2.369048      1.166064      7.893181
  H      -2.411609      2.654973      8.888572
  C      -4.159868     -6.429834      3.497854
  C      -3.216052     -5.259016      3.634937
  O      -2.095767     -5.406205      4.120623
  C      -3.687256     -3.915051      3.187511
  C      -4.812284     -3.747330      2.350756
  C      -5.185646     -2.460231      1.956762
  C      -4.489216     -1.361395      2.426977
  F      -4.910265     -0.137427      2.017587
  C      -3.375799     -1.466409      3.312105
  C      -2.718143     -0.359671      3.919587
  O      -3.065402      0.877441      3.650165
  C      -1.614876     -0.524231      4.929290
  C      -2.993700     -2.796133      3.636833
  C      -6.149494     11.808059      2.491621
  C      -5.260220     10.587194      2.433917
  O      -4.304191     10.540725      1.665922
  C      -5.571780      9.434162      3.334731
  C      -6.627122      9.467504      4.263946
  C      -6.882122      8.370605      5.081401
  C      -6.067444      7.249795      4.972047
  F      -6.371409      6.182089      5.754052
  C      -4.996971      7.170124      4.068463
  C      -4.065908      5.995165      3.908588
  O      -3.469317      5.837107      2.855405
  C      -3.869426      5.040873      5.103532
  C      -4.784589      8.282546      3.246914
  C      -8.371786     -5.326911      4.199603
  C      -7.346171     -4.435380      4.864011
  O      -6.409621     -4.924835      5.494620
  C      -7.499596     -2.959290      4.733217
  C      -8.585017     -2.371114      4.051157
  C      -8.672675     -0.986740      3.942007
  C      -7.672037     -0.199324      4.495317
  F      -7.806431      1.147641      4.361743
  C      -6.558574     -0.735529      5.172135
  C      -5.397308      0.028260      5.724212
  O      -4.492426     -0.571887      6.296981
  C      -5.309517      1.541624      5.519734
  C      -6.519952     -2.132805      5.283193
  H      -3.689958     -7.320987      3.926566
  H      -5.107031     -6.215949      4.015297
  H      -4.398315     -6.618861      2.440016
  H      -5.373326     -4.606520      1.987600
  H      -6.033701     -2.291052      1.292974
  H      -0.689174     -0.896237      4.425533
  H      -1.890816     -1.304606      5.668772
  H      -2.138541     -2.969315      4.288580
  H      -6.131725     12.259448      3.495156
  H      -7.196499     11.545457      2.279123
  H      -5.798100     12.539811      1.757535
  H      -7.259607     10.349880      4.352450
  H      -7.705561      8.363526      5.794569
  H      -4.068258      5.590539      6.044018
  H      -4.672932      4.285618      5.016764
  H      -3.970460      8.247199      2.522251
  H      -9.381849     -5.121995      4.585107
  H      -8.113374     -6.373193      4.390836
  H      -8.403858     -5.147466      3.114324
  H      -9.365624     -2.987709      3.608181
  H      -9.502675     -0.503403      3.427624
  H      -6.177946      2.003732      6.031676
  H      -5.461361      1.750649      4.449873
  H      -5.665679     -2.580312      5.791377
  N      -1.011575      2.694682      3.702591
  N      -0.233243      2.812897      2.697778
  H      -0.142395      3.694248      2.181785
  H       0.383710      2.054518      2.388299
90
Coordinates from ORCA-job orca E -6562.208007563205
  N      -1.378666      0.715567      5.601596
  Mo     -2.325025      2.349362      4.873098
  N      -4.048344      2.141803      5.927990
  C      -3.976889      2.526134      7.327133
  C      -2.560218      2.295529      7.845685
  N      -1.539413      2.870885      6.903612
  C      -0.228502      2.197508      7.080223
  C      -0.343200      0.753914      6.582545
  C      -1.425577      4.357914      7.088486
  C      -1.454471      5.004048      5.709306
  N      -2.559869      4.374927      5.020667
  H       0.644623      0.446008      6.171960
  H      -0.547450      0.056681      7.424858
  H       0.501189      2.765624      6.489699
  H       0.070226      2.238845      8.141498
  H      -1.576682      6.097513      5.795953
  H      -0.516803      4.809399      5.161399
  H      -2.321045      4.681956      7.636712
  H      -0.543327      4.591009      7.706054
  H      -4.659922      1.917304      7.944045
  H      -4.282208      3.585714      7.470182
  H      -2.380949      1.216432      7.891417
  H      -2.403004      2.731136      8.846469
  C      -4.204732     -6.453019      3.570820
  C      -3.263097     -5.283023      3.721373
  O      -2.152602     -5.430016      4.227078
  C      -3.726172     -3.941147      3.259402
  C      -4.842926     -3.775073      2.412301
  C      -5.197142     -2.489241      1.997975
  C      -4.492217     -1.392849      2.456573
  F      -4.893098     -0.169227      2.020602
  C      -3.388335     -1.493958      3.355312
  C      -2.719287     -0.384878      3.945889
  O      -3.054862      0.851880      3.662547
  C      -1.625019     -0.553161      4.964880
  C      -3.025427     -2.824316      3.700747
  C      -6.248311     11.790980      2.587039
  C      -5.330343     10.593417      2.506714
  O      -4.370755     10.584311      1.743067
  C      -5.619800      9.415864      3.382323
  C      -6.678467      9.405659      4.307067
  C      -6.909839      8.288734      5.102348
  C      -6.069785      7.189383      4.976291
  F      -6.348041      6.103143      5.741743
  C      -4.996990      7.152080      4.073191
  C      -4.041937      6.003066      3.895453
  O      -3.447805      5.869125      2.835849
  C      -3.821166      5.046135      5.079682
  C      -4.806263      8.284696      3.274359
  C      -8.317741     -5.272490      4.100846
  C      -7.339254     -4.383662      4.835128
  O      -6.445069     -4.872592      5.524045
  C      -7.486469     -2.907803      4.697342
  C      -8.534563     -2.318171      3.963368
  C      -8.618117     -0.935688      3.850604
  C      -7.645041     -0.146492      4.449251
  F      -7.778612      1.199616      4.311821
  C      -6.565764     -0.684835      5.173608
  C      -5.419103      0.080404      5.761292
  O      -4.556919     -0.509727      6.400139
  C      -5.295601      1.581295      5.493399
  C      -6.533340     -2.080229      5.292129
  H      -3.740403     -7.344382      4.004350
  H      -5.157207     -6.239802      4.077325
  H      -4.428545     -6.639848      2.510176
  H      -5.409371     -4.632584      2.055805
  H      -6.036866     -2.319648      1.324260
  H      -0.699704     -0.944197      4.474568
  H      -1.915204     -1.325394      5.708372
  H      -2.175038     -2.998992      4.357743
  H      -6.244093     12.219923      3.599733
  H      -7.286932     11.507216      2.364489
  H      -5.912261     12.546657      1.870662
  H      -7.331492     10.270680      4.409679
  H      -7.734478      8.249897      5.812565
  H      -3.997980      5.600049      6.022434
  H      -4.633841      4.299084      5.012210
  H      -3.990425      8.282204      2.551614
  H      -9.350330     -5.070026      4.420402
  H      -8.072097     -6.319375      4.303706
  H      -8.277452     -5.087752      3.017389
  H      -9.292021     -2.934533      3.482383
  H      -9.423701     -0.453579      3.298459
  H      -6.166282      2.082937      5.963685
  H      -5.427042      1.737573      4.411804
  H      -5.703067     -2.527505      5.838070
  N      -0.965556      2.651038      3.671255
  N      -0.205340      2.728328      2.639684
  H      -0.134241      3.589829      2.093780
  H       0.398739      1.954129      2.354930
90
Coordinates from ORCA-job orca E -6562.210579242435
  N      -1.407317      0.693232      5.630560
  Mo     -2.296266      2.333834      4.847786
  N      -4.046309      2.177235      5.887885
  C      -3.975602      2.602062      7.275034
  C      -2.568617      2.356875      7.815617
  N      -1.522644      2.886144      6.872075
  C      -0.229881      2.185506      7.078044
  C      -0.381070      0.730878      6.622877
  C      -1.376068      4.374608      7.026068
  C      -1.406429      4.995643      5.634211
  N      -2.527678      4.369753      4.963169
  H       0.601087      0.380147      6.234274
  H      -0.614145      0.068083      7.485627
  H       0.516925      2.714812      6.472441
  H       0.066013      2.251971      8.139279
  H      -1.511838      6.092538      5.704883
  H      -0.475895      4.778616      5.082326
  H      -2.259448      4.728119      7.576713
  H      -0.484332      4.605137      7.631224
  H      -4.672774      2.024365      7.906644
  H      -4.262426      3.671058      7.390557
  H      -2.415846      1.275372      7.894050
  H      -2.414786      2.816129      8.806690
  C      -4.268544     -6.476536      3.604448
  C      -3.331825     -5.305380      3.783997
  O      -2.233635     -5.453726      4.317398
  C      -3.784495     -3.962530      3.309980
  C      -4.886316     -3.795752      2.442761
  C      -5.222619     -2.508263      2.013329
  C      -4.515175     -1.414952      2.473469
  F      -4.897891     -0.191498      2.017319
  C      -3.424945     -1.515191      3.392166
  C      -2.744667     -0.407780      3.972427
  O      -3.060830      0.832286      3.675772
  C      -1.661561     -0.580801      5.003846
  C      -3.081661     -2.847436      3.754927
  C      -6.304262     11.811098      2.688894
  C      -5.365185     10.630730      2.585680
  O      -4.398740     10.656141      1.830419
  C      -5.642942      9.426000      3.430123
  C      -6.708709      9.375404      4.345625
  C      -6.926621      8.236164      5.112913
  C      -6.066229      7.154067      4.969239
  F      -6.329406      6.048976      5.711611
  C      -4.987142      7.155543      4.071963
  C      -4.012660      6.026425      3.875255
  O      -3.418166      5.919415      2.812831
  C      -3.777154      5.061155      5.046568
  C      -4.809357      8.310396      3.301291
  C      -8.194899     -5.273490      4.046223
  C      -7.276490     -4.368111      4.837572
  O      -6.421284     -4.840682      5.586757
  C      -7.439544     -2.894232      4.684963
  C      -8.462150     -2.322536      3.902678
  C      -8.563430     -0.942421      3.778382
  C      -7.627619     -0.133042      4.412002
  F      -7.781800      1.209105      4.266073
  C      -6.571828     -0.653088      5.180559
  C      -5.448229      0.132677      5.797129
  O      -4.627094     -0.435340      6.504095
  C      -5.296017      1.620195      5.461619
  C      -6.523977     -2.046662      5.313642
  H      -3.812144     -7.371243      4.041085
  H      -5.231020     -6.267285      4.095521
  H      -4.470168     -6.655182      2.537161
  H      -5.453365     -4.652106      2.081935
  H      -6.049922     -2.336220      1.323674
  H      -0.736709     -0.992228      4.528953
  H      -1.968830     -1.342362      5.752868
  H      -2.239447     -3.025706      4.422895
  H      -6.314547     12.213525      3.713187
  H      -7.336466     11.514685      2.449817
  H      -5.975611     12.591305      1.994836
  H      -7.377935     10.227234      4.462974
  H      -7.756217      8.167286      5.816506
  H      -3.929504      5.619432      5.992259
  H      -4.602690      4.326631      4.996484
  H      -3.988207      8.338674      2.584212
  H      -9.249013     -5.086055      4.301095
  H      -7.947745     -6.317087      4.266954
  H      -8.088771     -5.089969      2.966199
  H      -9.189024     -2.953541      3.391966
  H      -9.354585     -0.476356      3.190964
  H      -6.171268      2.154566      5.886015
  H      -5.404137      1.719094      4.370301
  H      -5.709459     -2.478219      5.896184
  N      -0.934857      2.602309      3.644478
  N      -0.191268      2.637817      2.592446
  H      -0.135968      3.481359      2.017608
  H       0.401549      1.846525      2.333156
90
Coordinates from ORCA-job orca E -6562.212470258519
  N      -1.424530      0.676576      5.646835
  Mo     -2.265841      2.316802      4.819371
  N      -4.037973      2.201198      5.842043
  C      -3.970630      2.660405      7.218942
  C      -2.573577      2.404492      7.781233
  N      -1.505816      2.896393      6.840058
  C      -0.228290      2.174945      7.072802
  C      -0.408309      0.713942      6.651717
  C      -1.331338      4.385371      6.966196
  C      -1.364120      4.983822      5.563332
  N      -2.498946      4.359609      4.908294
  H       0.567904      0.328571      6.283345
  H      -0.668705      0.079805      7.527862
  H       0.531614      2.671375      6.455452
  H       0.065162      2.262315      8.133178
  H      -1.455821      6.083003      5.618016
  H      -0.440134      4.747521      5.008987
  H      -2.201573      4.765224      7.520589
  H      -0.429308      4.613326      7.556756
  H      -4.680429      2.109074      7.860118
  H      -4.242352      3.735653      7.310349
  H      -2.442138      1.322413      7.886814
  H      -2.426452      2.883145      8.764147
  C      -4.270816     -6.502390      3.675573
  C      -3.339186     -5.325626      3.850088
  O      -2.249922     -5.462621      4.405224
  C      -3.790491     -3.989488      3.353258
  C      -4.879816     -3.834464      2.467992
  C      -5.211634     -2.549556      2.020822
  C      -4.511679     -1.451101      2.478706
  F      -4.894744     -0.231443      2.010654
  C      -3.430901     -1.539508      3.411523
  C      -2.748574     -0.430145      3.981692
  O      -3.050797      0.812977      3.675303
  C      -1.677244     -0.602397      5.026297
  C      -3.094416     -2.868450      3.794678
  C      -6.367511     11.819775      2.794893
  C      -5.403640     10.660611      2.675346
  O      -4.425468     10.724588      1.937774
  C      -5.671656      9.427285      3.482809
  C      -6.750454      9.331106      4.378903
  C      -6.956469      8.167685      5.112706
  C      -6.071166      7.107057      4.955606
  F      -6.320928      5.981307      5.669549
  C      -4.979640      7.152956      4.074524
  C      -3.980248      6.047523      3.861540
  O      -3.375788      5.976884      2.802233
  C      -3.737796      5.066806      5.015690
  C      -4.813685      8.331659      3.337829
  C      -8.184174     -5.237560      4.000726
  C      -7.293165     -4.337304      4.830318
  O      -6.473370     -4.813774      5.616543
  C      -7.441976     -2.862869      4.669617
  C      -8.436368     -2.288926      3.854118
  C      -8.528883     -0.909680      3.719405
  C      -7.609410     -0.100470      4.378771
  F      -7.754225      1.240925      4.225955
  C      -6.582765     -0.621761      5.181483
  C      -5.474274      0.171834      5.822608
  O      -4.706243     -0.373809      6.602209
  C      -5.287223      1.641760      5.422515
  C      -6.541612     -2.014916      5.323091
  H      -3.814708     -7.391919      4.123392
  H      -5.233683     -6.289216      4.164150
  H      -4.467487     -6.691184      2.608934
  H      -5.439802     -4.695379      2.106651
  H      -6.030957     -2.385020      1.319679
  H      -0.749545     -1.023662      4.566677
  H      -1.996379     -1.355299      5.779463
  H      -2.260048     -3.040014      4.474605
  H      -6.401547     12.192682      3.830051
  H      -7.389417     11.509328      2.529635
  H      -6.043289     12.625627      2.128348
  H      -7.439028     10.166133      4.507401
  H      -7.795104      8.064119      5.801577
  H      -3.869089      5.622601      5.967060
  H      -4.573088      4.343179      4.975199
  H      -3.982562      8.395094      2.634250
  H      -9.246971     -5.045689      4.214218
  H      -7.952731     -6.283280      4.229638
  H      -8.032734     -5.053324      2.926145
  H      -9.148643     -2.919425      3.321857
  H      -9.300348     -0.443782      3.105805
  H      -6.164800      2.205375      5.801857
  H      -5.371332      1.684813      4.325299
  H      -5.747187     -2.446863      5.932697
  N      -0.901871      2.561996      3.614215
  N      -0.167057      2.573213      2.552756
  H      -0.131731      3.401395      1.955195
  H       0.423325      1.774369      2.313953
90
Coordinates from ORCA-job orca E -6562.213793916136
  N      -1.481490      0.662700      5.668109
  Mo     -2.268321      2.308543      4.808666
  N      -4.055867      2.236408      5.816422
  C      -3.989251      2.720985      7.185946
  C      -2.602927      2.446807      7.765167
  N      -1.513742      2.900520      6.827575
  C      -0.256247      2.149740      7.081694
  C      -0.475040      0.687817      6.685653
  C      -1.301430      4.387667      6.930356
  C      -1.332542      4.968301      5.519100
  N      -2.484660      4.357242      4.877601
  H       0.491308      0.264786      6.334620
  H      -0.766804      0.078187      7.569156
  H       0.518143      2.612173      6.455591
  H       0.036936      2.249923      8.140948
  H      -1.402308      6.069846      5.559091
  H      -0.416868      4.706691      4.963044
  H      -2.153768      4.797638      7.491397
  H      -0.385838      4.602204      7.504837
  H      -4.712649      2.194339      7.832461
  H      -4.242144      3.801779      7.258324
  H      -2.495804      1.364150      7.890655
  H      -2.457871      2.938769      8.741909
  C      -4.346282     -6.502579      3.615206
  C      -3.424925     -5.325035      3.837701
  O      -2.349437     -5.468045      4.418157
  C      -3.865050     -3.983933      3.343958
  C      -4.936523     -3.820073      2.438866
  C      -5.257001     -2.529656      1.995493
  C      -4.560112     -1.437498      2.471409
  F      -4.931584     -0.212417      2.008095
  C      -3.492689     -1.535074      3.419184
  C      -2.800647     -0.434791      3.990662
  O      -3.078117      0.815257      3.678309
  C      -1.741479     -0.616659      5.047637
  C      -3.172269     -2.868091      3.804699
  C      -6.363663     11.852033      2.841030
  C      -5.382047     10.706798      2.729948
  O      -4.382477     10.796374      2.024585
  C      -5.658685      9.454219      3.505841
  C      -6.762322      9.327064      4.366828
  C      -6.973792      8.146966      5.072496
  C      -6.069112      7.101044      4.922257
  F      -6.322304      5.961634      5.611955
  C      -4.954074      7.177087      4.073743
  C      -3.934364      6.086720      3.862619
  O      -3.303952      6.048841      2.817594
  C      -3.708464      5.087193      5.002302
  C      -4.782345      8.372379      3.365948
  C      -8.004054     -5.293707      4.039213
  C      -7.162727     -4.358513      4.883303
  O      -6.351677     -4.802564      5.697192
  C      -7.349943     -2.890335      4.704265
  C      -8.346775     -2.355266      3.866679
  C      -8.482334     -0.981027      3.716617
  C      -7.600680     -0.136522      4.384813
  F      -7.790943      1.197292      4.223298
  C      -6.573299     -0.617558      5.210453
  C      -5.503760      0.217815      5.868954
  O      -4.767073     -0.288462      6.703723
  C      -5.302099      1.667994      5.403052
  C      -6.487585     -2.007775      5.364980
  H      -3.895635     -7.400720      4.051593
  H      -5.318168     -6.303041      4.092608
  H      -4.522515     -6.666945      2.540921
  H      -5.490719     -4.676924      2.058816
  H      -6.064239     -2.357213      1.282076
  H      -0.813885     -1.050077      4.599929
  H      -2.075246     -1.360427      5.803511
  H      -2.348821     -3.048618      4.495710
  H      -6.434079     12.203933      3.881933
  H      -7.372816     11.534181      2.537488
  H      -6.029018     12.674730      2.200471
  H      -7.466043     10.150566      4.490200
  H      -7.830618      8.019594      5.734767
  H      -3.823314      5.637813      5.959894
  H      -4.557385      4.380313      4.960846
  H      -3.932070      8.459554      2.687801
  H      -9.077615     -5.135802      4.226320
  H      -7.745278     -6.329924      4.282557
  H      -7.831943     -5.113132      2.967148
  H      -9.028994     -3.013259      3.327917
  H      -9.259249     -0.546227      3.086977
  H      -6.182266      2.251076      5.744691
  H      -5.366581      1.659917      4.303741
  H      -5.692248     -2.408678      5.994641
  N      -0.901736      2.527497      3.605260
  N      -0.166937      2.528270      2.542955
  H      -0.148118      3.344170      1.927963
  H       0.423613      1.726354      2.315595
90
Coordinates from ORCA-job orca E -6562.215053366556
  N      -1.482656      0.657388      5.675163
  Mo     -2.235892      2.302905      4.797261
  N      -4.037876      2.243671      5.781656
  C      -3.983826      2.738566      7.149702
  C      -2.607702      2.459041      7.748314
  N      -1.501107      2.898644      6.822962
  C      -0.254709      2.134390      7.095811
  C      -0.490736      0.673723      6.709569
  C      -1.271689      4.384841      6.916414
  C      -1.302621      4.959163      5.501978
  N      -2.459851      4.352079      4.862448
  H       0.471564      0.229555      6.375797
  H      -0.809807      0.076231      7.591690
  H       0.529374      2.579448      6.468810
  H       0.033072      2.241206      8.155791
  H      -1.365225      6.061434      5.534972
  H      -0.389213      4.688553      4.947436
  H      -2.112673      4.807899      7.485004
  H      -0.347129      4.591704      7.479144
  H      -4.718271      2.221999      7.791302
  H      -4.229563      3.820856      7.211624
  H      -2.510088      1.376701      7.882973
  H      -2.474708      2.956801      8.723966
  C      -4.308659     -6.503336      3.604969
  C      -3.390407     -5.322887      3.826617
  O      -2.321209     -5.459666      4.420211
  C      -3.830698     -3.984895      3.324814
  C      -4.892901     -3.826087      2.408515
  C      -5.220301     -2.535498      1.967406
  C      -4.535393     -1.440046      2.452537
  F      -4.919439     -0.214046      2.002661
  C      -3.471425     -1.533662      3.404329
  C      -2.780574     -0.435691      3.976523
  O      -3.044154      0.819171      3.660852
  C      -1.733463     -0.620294      5.046123
  C      -3.148817     -2.865555      3.793281
  C      -6.410052     11.840845      2.879164
  C      -5.396669     10.721643      2.790271
  O      -4.369014     10.849648      2.132755
  C      -5.676170      9.446310      3.528073
  C      -6.812766      9.273893      4.336660
  C      -7.023852      8.073861      5.008801
  C      -6.086493      7.053909      4.877082
  F      -6.337729      5.896545      5.536767
  C      -4.939651      7.174493      4.078130
  C      -3.884523      6.112393      3.879615
  O      -3.212581      6.121956      2.860749
  C      -3.679087      5.087476      4.999478
  C      -4.767875      8.389298      3.404795
  C      -8.122180     -5.271845      4.115521
  C      -7.225447     -4.345375      4.912304
  O      -6.401142     -4.798124      5.707261
  C      -7.383196     -2.875251      4.719550
  C      -8.386322     -2.334511      3.894807
  C      -8.503677     -0.960405      3.728790
  C      -7.600583     -0.122749      4.376782
  F      -7.776177      1.211190      4.207041
  C      -6.571367     -0.608068      5.197163
  C      -5.502976      0.228970      5.857165
  O      -4.810825     -0.258027      6.741593
  C      -5.277674      1.666922      5.360212
  C      -6.496196     -1.999356      5.358143
  H      -3.854590     -7.401025      4.038869
  H      -5.276504     -6.304344      4.091090
  H      -4.492435     -6.666888      2.531996
  H      -5.436570     -4.685616      2.019269
  H      -6.025454     -2.366464      1.250739
  H      -0.800561     -1.051974      4.608728
  H      -2.074206     -1.362005      5.800527
  H      -2.331766     -3.043293      4.492533
  H      -6.535750     12.168656      3.922858
  H      -7.396347     11.505712      2.523114
  H      -6.066942     12.684611      2.271176
  H      -7.542372     10.076890      4.445713
  H      -7.904411      7.911518      5.631205
  H      -3.794324      5.622341      5.966824
  H      -4.531955      4.387572      4.941276
  H      -3.892059      8.511164      2.765303
  H      -9.183295     -5.086041      4.344214
  H      -7.879644     -6.310618      4.364723
  H      -7.989400     -5.111513      3.035047
  H      -9.086651     -2.988396      3.374470
  H      -9.284299     -0.521223      3.106756
  H      -6.159156      2.262292      5.676431
  H      -5.321432      1.634508      4.260663
  H      -5.701603     -2.405461      5.985544
  N      -0.863875      2.524341      3.604012
  N      -0.116134      2.544343      2.551614
  H      -0.122741      3.353363      1.926761
  H       0.489706      1.752932      2.326958
90
Coordinates from ORCA-job orca E -6562.216140296398
  N      -1.510866      0.647014      5.682988
  Mo     -2.237809      2.294096      4.795777
  N      -4.039136      2.259558      5.778530
  C      -3.982402      2.767486      7.142285
  C      -2.611585      2.478080      7.746287
  N      -1.496836      2.893398      6.819632
  C      -0.263596      2.110110      7.099555
  C      -0.525797      0.651269      6.725480
  C      -1.243034      4.376526      6.898745
  C      -1.281995      4.941971      5.480798
  N      -2.450335      4.343914      4.852492
  H       0.427787      0.182779      6.401955
  H      -0.866554      0.067861      7.608442
  H       0.526732      2.534966      6.466512
  H       0.027889      2.222154      8.157789
  H      -1.331917      6.045009      5.504582
  H      -0.376214      4.656616      4.922220
  H      -2.065806      4.816551      7.480681
  H      -0.304551      4.570843      7.442098
  H      -4.724836      2.266453      7.786251
  H      -4.213943      3.852791      7.191717
  H      -2.527190      1.396554      7.893143
  H      -2.475684      2.984754      8.716880
  C      -4.310910     -6.514533      3.559313
  C      -3.412718     -5.324000      3.808168
  O      -2.353528     -5.453522      4.420040
  C      -3.860082     -3.985242      3.314613
  C      -4.915447     -3.825191      2.391619
  C      -5.247921     -2.533262      1.958869
  C      -4.570041     -1.437749      2.453840
  F      -4.957442     -0.209696      2.013610
  C      -3.510580     -1.532784      3.409243
  C      -2.815384     -0.437804      3.982047
  O      -3.055318      0.819977      3.654439
  C      -1.772755     -0.628795      5.055452
  C      -3.188752     -2.865285      3.796945
  C      -6.430006     11.839054      2.886520
  C      -5.392813     10.740620      2.822660
  O      -4.344119     10.896371      2.205706
  C      -5.674957      9.451567      3.533997
  C      -6.836953      9.247437      4.297818
  C      -7.048486      8.035396      4.947734
  C      -6.087579      7.035114      4.837842
  F      -6.337647      5.866545      5.478852
  C      -4.916620      7.186460      4.080856
  C      -3.836448      6.145304      3.898890
  O      -3.122175      6.195309      2.910196
  C      -3.660304      5.093398      4.997818
  C      -4.743296      8.413562      3.430990
  C      -8.070693     -5.272420      4.131311
  C      -7.182313     -4.338886      4.928691
  O      -6.347503     -4.785520      5.714199
  C      -7.349399     -2.869936      4.738067
  C      -8.353330     -2.338521      3.909835
  C      -8.482725     -0.965315      3.744981
  C      -7.590478     -0.122403      4.399989
  F      -7.770506      1.210478      4.226788
  C      -6.564031     -0.598147      5.228499
  C      -5.520137      0.253480      5.903206
  O      -4.862883     -0.208000      6.828536
  C      -5.277820      1.673412      5.367011
  C      -6.474868     -1.989085      5.385850
  H      -3.844530     -7.412819      3.978022
  H      -5.281735     -6.340822      4.046905
  H      -4.490870     -6.660588      2.483858
  H      -5.451587     -4.684162      1.991634
  H      -6.050755     -2.363712      1.240162
  H      -0.843800     -1.069634      4.619651
  H      -2.119747     -1.362200      5.814445
  H      -2.377477     -3.044134      4.502081
  H      -6.601382     12.150981      3.928295
  H      -7.395334     11.490499      2.489123
  H      -6.080229     12.696558      2.302391
  H      -7.585498     10.034537      4.389867
  H      -7.946689      7.848919      5.536699
  H      -3.774818      5.612838      5.973881
  H      -4.521680      4.407207      4.921119
  H      -3.847995      8.559573      2.824913
  H      -9.132168     -5.102342      4.368498
  H      -7.812899     -6.308752      4.374283
  H      -7.947128     -5.105318      3.051019
  H      -9.043950     -2.998171      3.384539
  H      -9.262672     -0.532011      3.118687
  H      -6.156425      2.282888      5.664765
  H      -5.314021      1.613077      4.268702
  H      -5.681804     -2.389569      6.018199
  N      -0.868711      2.510291      3.599838
  N      -0.109867      2.554785      2.556790
  H      -0.144540      3.354747      1.921700
  H       0.507187      1.774521      2.325771
90
Coordinates from ORCA-job orca E -6562.217127900064
  N      -1.533521      0.639969      5.688699
  Mo     -2.239729      2.288901      4.796077
  N      -4.037719      2.270144      5.775425
  C      -3.983984      2.786830      7.136689
  C      -2.617592      2.492789      7.747232
  N      -1.495750      2.888744      6.820902
  C      -0.274934      2.088651      7.107843
  C      -0.559328      0.631806      6.742134
  C      -1.222284      4.368979      6.889541
  C      -1.267171      4.929305      5.469714
  N      -2.441245      4.337988      4.846892
  H       0.387453      0.141859      6.431965
  H      -0.922976      0.061134      7.623991
  H       0.522545      2.497297      6.473196
  H       0.017037      2.203318      8.165671
  H      -1.308646      6.032741      5.487088
  H      -0.365702      4.634193      4.909702
  H      -2.028992      4.821379      7.484055
  H      -0.272142      4.551244      7.416350
  H      -4.733967      2.296368      7.779066
  H      -4.205568      3.874198      7.175060
  H      -2.542412      1.412190      7.904991
  H      -2.480039      3.007226      8.713554
  C      -4.330772     -6.512960      3.492183
  C      -3.452587     -5.316735      3.780332
  O      -2.405213     -5.446339      4.411345
  C      -3.899188     -3.974627      3.295460
  C      -4.944041     -3.807643      2.362579
  C      -5.275052     -2.513658      1.938120
  C      -4.600943     -1.421399      2.445864
  F      -4.984442     -0.189910      2.013433
  C      -3.550377     -1.523732      3.408734
  C      -2.850445     -0.432886      3.986918
  O      -3.058087      0.824078      3.637344
  C      -1.816471     -0.633380      5.067540
  C      -3.236190     -2.857623      3.795736
  C      -6.444019     11.838506      2.880160
  C      -5.384740     10.760365      2.844553
  O      -4.317376     10.941980      2.267738
  C      -5.668514      9.460227      3.532925
  C      -6.853531      9.227829      4.252237
  C      -7.065696      8.006360      4.883415
  C      -6.084145      7.024263      4.798743
  F      -6.334991      5.846818      5.424177
  C      -4.890574      7.202578      4.083895
  C      -3.787587      6.181746      3.922251
  O      -3.025549      6.275293      2.972337
  C      -3.644954      5.097942      4.993895
  C      -4.715709      8.439967      3.453769
  C      -8.025151     -5.292997      4.180000
  C      -7.126824     -4.350316      4.954227
  O      -6.283538     -4.788556      5.733764
  C      -7.306350     -2.882449      4.761827
  C      -8.320096     -2.363745      3.938632
  C      -8.463946     -0.991601      3.773477
  C      -7.576238     -0.141197      4.423199
  F      -7.768180      1.190561      4.249339
  C      -6.542111     -0.604192      5.249932
  C      -5.519900      0.262453      5.931157
  O      -4.881359     -0.178270      6.881361
  C      -5.272088      1.669392      5.368115
  C      -6.438491     -1.994679      5.407474
  H      -3.853727     -7.414695      3.890582
  H      -5.306755     -6.368181      3.978189
  H      -4.504213     -6.633477      2.412826
  H      -5.476282     -4.663475      1.950896
  H      -6.072734     -2.339816      1.214893
  H      -0.895578     -1.092781      4.633971
  H      -2.176087     -1.354043      5.832288
  H      -2.435458     -3.041081      4.511424
  H      -6.660144     12.137100      3.917370
  H      -7.387373     11.476826      2.443989
  H      -6.088711     12.707891      2.317457
  H      -7.619322      9.999995      4.324519
  H      -7.980027      7.798603      5.439289
  H      -3.767850      5.597613      5.979644
  H      -4.512259      4.424357      4.890333
  H      -3.802292      8.607548      2.881633
  H      -9.082464     -5.125504      4.436218
  H      -7.757801     -6.325850      4.427065
  H      -7.922890     -5.134294      3.096291
  H      -9.007118     -3.031062      3.418774
  H      -9.251217     -0.565846      3.151534
  H      -6.151485      2.284903      5.653005
  H      -5.301300      1.592175      4.271068
  H      -5.641730     -2.388047      6.039216
  N      -0.869413      2.506723      3.602357
  N      -0.090359      2.590667      2.577138
  H      -0.150108      3.385660      1.937443
  H       0.539056      1.824702      2.332278
90
Coordinates from ORCA-job orca E -6562.218055527572
  N      -1.541162      0.633286      5.691245
  Mo     -2.229734      2.285630      4.795816
  N      -4.026117      2.274746      5.767820
  C      -3.980611      2.795278      7.128222
  C      -2.618601      2.499930      7.747719
  N      -1.489166      2.882704      6.825039
  C      -0.279785      2.068097      7.119472
  C      -0.581785      0.613334      6.757896
  C      -1.201187      4.360656      6.889089
  C      -1.249291      4.921101      5.469143
  N      -2.424398      4.334195      4.845305
  H       0.360580      0.105621      6.463948
  H      -0.968145      0.054144      7.637431
  H       0.525989      2.464479      6.487617
  H       0.009145      2.182544      8.178325
  H      -1.286594      6.024581      5.485158
  H      -0.348731      4.622526      4.909645
  H      -1.995547      4.820447      7.494262
  H      -0.242798      4.532604      7.404249
  H      -4.738055      2.310505      7.765351
  H      -4.196328      3.883879      7.158730
  H      -2.550026      1.420110      7.914093
  H      -2.482222      3.019796      8.711342
  C      -4.356754     -6.500139      3.427216
  C      -3.492760     -5.303159      3.750351
  O      -2.462896     -5.435666      4.408457
  C      -3.932282     -3.956914      3.270767
  C      -4.962849     -3.780710      2.324313
  C      -5.286966     -2.484264      1.905425
  C      -4.615134     -1.396909      2.427285
  F      -4.989580     -0.161918      1.998733
  C      -3.577603     -1.509104      3.401682
  C      -2.873362     -0.422733      3.988037
  O      -3.043646      0.829792      3.611189
  C      -1.853480     -0.636451      5.079930
  C      -3.276204     -2.844488      3.789996
  C      -6.476885     11.823678      2.862901
  C      -5.393100     10.769644      2.856691
  O      -4.312218     10.978434      2.315087
  C      -5.669954      9.460333      3.528876
  C      -6.871850      9.198965      4.209390
  C      -7.077556      7.970291      4.827691
  C      -6.074319      7.008846      4.768347
  F      -6.320514      5.824661      5.383226
  C      -4.863133      7.214904      4.090904
  C      -3.736319      6.217581      3.951219
  O      -2.930443      6.354342      3.042604
  C      -3.624633      5.100383      4.990248
  C      -4.694209      8.460489      3.474493
  C      -8.015904     -5.311254      4.246867
  C      -7.107749     -4.361823      5.000520
  O      -6.243017     -4.794671      5.758305
  C      -7.286839     -2.894532      4.794516
  C      -8.307992     -2.384570      3.975720
  C      -8.452858     -1.013342      3.800727
  C      -7.559162     -0.158734      4.435163
  F      -7.752656      1.172186      4.250871
  C      -6.517513     -0.613044      5.258471
  C      -5.503006      0.261604      5.935489
  O      -4.875681     -0.164014      6.901522
  C      -5.254844      1.661036      5.358267
  C      -6.413659     -2.003023      5.426517
  H      -3.875371     -7.405240      3.812380
  H      -5.339031     -6.376086      3.906458
  H      -4.520816     -6.600457      2.344462
  H      -5.492847     -4.632244      1.900786
  H      -6.076155     -2.304280      1.174471
  H      -0.944491     -1.123642      4.651174
  H      -2.233639     -1.341007      5.849556
  H      -2.489571     -3.033977      4.519549
  H      -6.734170     12.112048      3.893538
  H      -7.397355     11.444043      2.394386
  H      -6.122653     12.703743      2.316332
  H      -7.655878      9.954163      4.261598
  H      -8.003581      7.740776      5.354921
  H      -3.762248      5.578300      5.985637
  H      -4.494924      4.437326      4.856495
  H      -3.766921      8.650177      2.932552
  H      -9.068468     -5.146226      4.522930
  H      -7.738886     -6.341454      4.494439
  H      -7.935823     -5.157920      3.160380
  H      -8.999974     -3.056533      3.468860
  H      -9.245782     -0.591902      3.183103
  H      -6.136700      2.277837      5.634411
  H      -5.277557      1.576663      4.261869
  H      -5.615092     -2.392788      6.057993
  N      -0.854695      2.512386      3.610775
  N      -0.053223      2.643964      2.607632
  H      -0.136891      3.437443      1.968296
  H       0.589073      1.894316      2.345797
90
Coordinates from ORCA-job orca E -6562.218967468271
  N      -1.538645      0.626356      5.688457
  Mo     -2.210703      2.283605      4.791195
  N      -4.009454      2.275973      5.752297
  C      -3.975252      2.797855      7.112231
  C      -2.618289      2.502343      7.743292
  N      -1.480147      2.876426      6.827475
  C      -0.281117      2.049266      7.129958
  C      -0.596774      0.596510      6.769469
  C      -1.181884      4.352609      6.892111
  C      -1.231112      4.917691      5.473233
  N      -2.404384      4.333158      4.843429
  H       0.343109      0.074288      6.493799
  H      -1.004524      0.048341      7.646541
  H       0.533618      2.435992      6.503678
  H       0.002403      2.161372      8.190747
  H      -1.267636      6.020897      5.492995
  H      -0.328930      4.621376      4.915226
  H      -1.967715      4.816210      7.505443
  H      -0.218502      4.516798      7.400406
  H      -4.739919      2.315846      7.742452
  H      -4.188053      3.887156      7.137829
  H      -2.555833      1.423162      7.916644
  H      -2.486236      3.025808      8.705536
  C      -4.399795     -6.480223      3.376357
  C      -3.547073     -5.286071      3.736034
  O      -2.537383     -5.425031      4.423258
  C      -3.968478     -3.935968      3.250963
  C      -4.977932     -3.750583      2.284321
  C      -5.286664     -2.451789      1.862951
  C      -4.614809     -1.370156      2.397442
  F      -4.972407     -0.132691      1.963615
  C      -3.596389     -1.492300      3.389459
  C      -2.887606     -0.409709      3.983970
  O      -3.018096      0.835316      3.578265
  C      -1.887634     -0.639060      5.091296
  C      -3.315733     -2.828553      3.785806
  C      -6.517142     11.805583      2.849842
  C      -5.410543     10.775446      2.869600
  O      -4.320651     11.009935      2.357393
  C      -5.676444      9.458070      3.530029
  C      -6.889380      9.169400      4.179173
  C      -7.084944      7.934754      4.787920
  C      -6.061987      6.993264      4.749734
  F      -6.301525      5.803971      5.356534
  C      -4.838312      7.225662      4.102840
  C      -3.690350      6.251329      3.981200
  O      -2.845687      6.432357      3.115576
  C      -3.603006      5.102376      4.985017
  C      -4.679469      8.478317      3.497009
  C      -8.024212     -5.332978      4.337812
  C      -7.090332     -4.375886      5.049131
  O      -6.217054     -4.800352      5.801330
  C      -7.267518     -2.910375      4.821292
  C      -8.290766     -2.410925      3.998822
  C      -8.431237     -1.041708      3.804138
  C      -7.533592     -0.180294      4.423361
  F      -7.726135      1.148237      4.218679
  C      -6.490602     -0.623926      5.251805
  C      -5.479904      0.258188      5.923305
  O      -4.860042     -0.155417      6.900483
  C      -5.232608      1.653197      5.337190
  C      -6.390860     -2.012326      5.438857
  H      -3.921293     -7.389531      3.755227
  H      -5.390936     -6.369830      3.841001
  H      -4.546845     -6.563546      2.289723
  H      -5.507524     -4.597427      1.850752
  H      -6.062049     -2.265121      1.119001
  H      -0.994372     -1.163002      4.672269
  H      -2.296909     -1.322972      5.864838
  H      -2.548054     -3.024175      4.533699
  H      -6.809321     12.084564      3.873752
  H      -7.415972     11.407601      2.355175
  H      -6.167646     12.695317      2.315934
  H      -7.689971      9.908078      4.214498
  H      -8.018485      7.684704      5.292202
  H      -3.758280      5.558294      5.989361
  H      -4.473842      4.447704      4.821753
  H      -3.742583      8.688851      2.979783
  H      -9.068646     -5.150521      4.633377
  H      -7.750941     -6.359834      4.603121
  H      -7.967641     -5.205313      3.246531
  H      -8.986412     -3.088545      3.504690
  H      -9.224902     -0.626497      3.183105
  H      -6.117785      2.269215      5.604486
  H      -5.248838      1.564848      4.240939
  H      -5.594360     -2.396452      6.076391
  N      -0.827757      2.525490      3.618506
  N      -0.006821      2.708082      2.637899
  H      -0.117104      3.501937      2.002622
  H       0.647798      1.975293      2.358825
90
Coordinates from ORCA-job orca E -6562.219869106666
  N      -1.516447      0.617098      5.682180
  Mo     -2.177043      2.280588      4.785993
  N      -3.981448      2.274190      5.736259
  C      -3.957288      2.794675      7.096345
  C      -2.605008      2.498707      7.738027
  N      -1.459150      2.868575      6.829539
  C      -0.267555      2.032034      7.137901
  C      -0.591578      0.580891      6.776051
  C      -1.155151      4.343564      6.898579
  C      -1.206061      4.917212      5.482045
  N      -2.376436      4.333083      4.844622
  H       0.348128      0.049268      6.517780
  H      -1.016077      0.041621      7.651208
  H       0.554552      2.412876      6.517625
  H       0.010642      2.140190      8.200710
  H      -1.245427      6.019837      5.510523
  H      -0.301193      4.628780      4.924241
  H      -1.935962      4.807745      7.518056
  H      -0.189225      4.502915      7.403643
  H      -4.727645      2.313200      7.720097
  H      -4.169154      3.884288      7.121202
  H      -2.547659      1.419911      7.916028
  H      -2.478340      3.023856      8.700042
  C      -4.440994     -6.463248      3.346244
  C      -3.596140     -5.273162      3.737413
  O      -2.609798     -5.418282      4.456701
  C      -3.994996     -3.919684      3.241944
  C      -4.983899     -3.726318      2.256561
  C      -5.273782     -2.425512      1.827967
  C      -4.598658     -1.349379      2.370686
  F      -4.937584     -0.110719      1.927460
  C      -3.599583     -1.480026      3.380142
  C      -2.885679     -0.399655      3.980463
  O      -2.978809      0.836364      3.548119
  C      -1.908628     -0.643695      5.104950
  C      -3.341414     -2.816593      3.786797
  C      -6.582875     11.765598      2.830990
  C      -5.453175     10.761018      2.871812
  O      -4.360582     11.019476      2.377309
  C      -5.699638      9.438714      3.530913
  C      -6.915596      9.124436      4.162160
  C      -7.092681      7.886971      4.770457
  C      -6.049279      6.967151      4.748873
  F      -6.274773      5.775951      5.355739
  C      -4.820524      7.224948      4.120061
  C      -3.650540      6.275690      4.013381
  O      -2.779031      6.496448      3.183752
  C      -3.575959      5.100211      4.984609
  C      -4.680850      8.481024      3.515626
  C      -8.065850     -5.328180      4.409837
  C      -7.111606     -4.369990      5.092593
  O      -6.226938     -4.791891      5.832888
  C      -7.275480     -2.906513      4.839619
  C      -8.290500     -2.409933      4.004643
  C      -8.412843     -1.042555      3.786077
  C      -7.507572     -0.180277      4.393822
  F      -7.685691      1.145981      4.163285
  C      -6.473169     -0.621182      5.235012
  C      -5.454715      0.258222      5.900010
  O      -4.840481     -0.153430      6.882464
  C      -5.202523      1.652388      5.313677
  C      -6.391524     -2.007461      5.445400
  H      -3.971219     -7.376384      3.727184
  H      -5.442685     -6.358995      3.789878
  H      -4.565129     -6.536266      2.255933
  H      -5.516569     -4.568793      1.817779
  H      -6.035417     -2.232539      1.071425
  H      -1.034730     -1.210972      4.701200
  H      -2.353175     -1.301101      5.882553
  H      -2.591803     -3.017651      4.551441
  H      -6.899843     12.039319      3.849077
  H      -7.463398     11.345700      2.321330
  H      -6.244931     12.662529      2.301514
  H      -7.732847      9.845475      4.184094
  H      -8.027615      7.617431      5.262293
  H      -3.748371      5.535198      5.996761
  H      -4.444749      4.449844      4.796885
  H      -3.740333      8.711284      3.013263
  H      -9.104033     -5.128665      4.716679
  H      -7.799590     -6.353832      4.687201
  H      -8.023818     -5.217811      3.315772
  H      -8.992264     -3.087884      3.519360
  H      -9.198885     -0.628264      3.154444
  H      -6.088697      2.269186      5.575338
  H      -5.214761      1.566301      4.216958
  H      -5.603520     -2.390764      6.094199
  N      -0.786442      2.543114      3.628381
  N       0.046473      2.777863      2.667259
  H      -0.096439      3.572161      2.038412
  H       0.711906      2.061830      2.369956
90
Coordinates from ORCA-job orca E -6562.220755970452
  N      -1.485100      0.607815      5.671279
  Mo     -2.141156      2.278167      4.781659
  N      -3.952030      2.268688      5.725415
  C      -3.933525      2.784118      7.086904
  C      -2.583400      2.488555      7.733659
  N      -1.433669      2.860343      6.830532
  C      -0.245141      2.018377      7.139298
  C      -0.573310      0.568434      6.774687
  C      -1.128358      4.334604      6.906459
  C      -1.184899      4.919932      5.493591
  N      -2.353239      4.335150      4.850573
  H       0.367410      0.031873      6.529946
  H      -1.008826      0.035078      7.648538
  H       0.580196      2.397269      6.522046
  H       0.031429      2.121552      8.203087
  H      -1.230064      6.021732      5.534273
  H      -0.278372      4.643584      4.932629
  H      -1.905534      4.796637      7.532360
  H      -0.160335      4.491633      7.408223
  H      -4.705082      2.298764      7.706543
  H      -4.148504      3.872977      7.116998
  H      -2.527604      1.409717      7.912317
  H      -2.461761      3.012760      8.696810
  C      -4.489371     -6.447952      3.331133
  C      -3.652089     -5.262549      3.753948
  O      -2.692857     -5.413546      4.507926
  C      -4.025555     -3.906017      3.246215
  C      -4.994780     -3.705110      2.243874
  C      -5.262114     -2.402804      1.804166
  C      -4.579984     -1.332602      2.351049
  F      -4.896129     -0.093470      1.894298
  C      -3.599623     -1.471221      3.376801
  C      -2.878646     -0.392975      3.979484
  O      -2.939500      0.834780      3.526290
  C      -1.925082     -0.648453      5.121143
  C      -3.366874     -2.807487      3.796462
  C      -6.645511     11.721484      2.804982
  C      -5.499071     10.736435      2.860478
  O      -4.407829     11.009443      2.371047
  C      -5.727154      9.414413      3.528342
  C      -6.941250      9.084005      4.154845
  C      -7.099743      7.848173      4.771707
  C      -6.040456      6.945663      4.762657
  F      -6.251329      5.757109      5.378557
  C      -4.811820      7.220198      4.139516
  C      -3.623596      6.291663      4.045092
  O      -2.734483      6.543342      3.243132
  C      -3.554625      5.097582      4.991828
  C      -4.691773      8.474732      3.527334
  C      -8.107442     -5.316642      4.458921
  C      -7.133918     -4.360685      5.117927
  O      -6.251162     -4.781207      5.861484
  C      -7.281399     -2.899843      4.842152
  C      -8.281667     -2.402722      3.988813
  C      -8.383916     -1.037242      3.749812
  C      -7.475453     -0.176071      4.355803
  F      -7.636165      1.147985      4.104077
  C      -6.456234     -0.617642      5.214623
  C      -5.429750      0.255622      5.878106
  O      -4.819493     -0.159879      6.862018
  C      -5.172506      1.651886      5.296526
  C      -6.393755     -2.001574      5.444147
  H      -4.033853     -7.364905      3.720441
  H      -5.503593     -6.344806      3.745757
  H      -4.581958     -6.514224      2.237220
  H      -5.532998     -4.543076      1.802881
  H      -6.009497     -2.203686      1.035053
  H      -1.073557     -1.262433      4.738662
  H      -2.407725     -1.271530      5.904970
  H      -2.633894     -3.013990      4.575732
  H      -6.974589     11.996188      3.819097
  H      -7.514745     11.282486      2.291606
  H      -6.319443     12.620748      2.271878
  H      -7.771041      9.791138      4.166658
  H      -8.032263      7.566099      5.261359
  H      -3.739828      5.515043      6.010122
  H      -4.420904      4.449119      4.786826
  H      -3.751461      8.717619      3.030176
  H      -9.141072     -5.092570      4.764697
  H      -7.857503     -6.341302      4.754835
  H      -8.067600     -5.228027      3.362643
  H      -8.986777     -3.078807      3.505398
  H      -9.157459     -0.622190      3.103090
  H      -6.059770      2.268298      5.555313
  H      -5.182729      1.570688      4.199112
  H      -5.617547     -2.384999      6.107264
  N      -0.746552      2.568337      3.636809
  N       0.088010      2.858360      2.690398
  H      -0.095455      3.652585      2.071491
  H       0.763005      2.160584      2.371686
90
Coordinates from ORCA-job orca E -6562.221644585753
  N      -1.445891      0.598556      5.657354
  Mo     -2.104844      2.275147      4.780203
  N      -3.921239      2.258723      5.721437
  C      -3.905008      2.767674      7.084908
  C      -2.554904      2.473442      7.731729
  N      -1.404919      2.851312      6.831973
  C      -0.215516      2.007862      7.136659
  C      -0.543277      0.558570      6.767871
  C      -1.102073      4.325068      6.915382
  C      -1.167844      4.923065      5.507198
  N      -2.334606      4.336744      4.861281
  H       0.399608      0.021425      6.532520
  H      -0.985524      0.026783      7.639448
  H       0.608996      2.388871      6.519630
  H       0.062605      2.105892      8.200415
  H      -1.221312      6.023844      5.561114
  H      -0.260865      4.661309      4.940542
  H      -1.876279      4.782651      7.548356
  H      -0.131650      4.481493      7.412565
  H      -4.674443      2.275638      7.702328
  H      -4.125808      3.855087      7.123099
  H      -2.496937      1.394368      7.907927
  H      -2.437465      2.995105      8.696780
  C      -4.528442     -6.436496      3.318738
  C      -3.700774     -5.255778      3.774701
  O      -2.764903     -5.413633      4.555773
  C      -4.048778     -3.896515      3.255893
  C      -5.001331     -3.688112      2.240147
  C      -5.247452     -2.384949      1.790384
  C      -4.557308     -1.320812      2.339944
  F      -4.851841     -0.080996      1.872370
  C      -3.592325     -1.467410      3.378161
  C      -2.864276     -0.391984      3.981952
  O      -2.899805      0.829813      3.515109
  C      -1.932848     -0.653714      5.139804
  C      -3.383021     -2.803050      3.809293
  C      -6.705048     11.669095      2.767286
  C      -5.546808     10.698641      2.832598
  O      -4.460159     10.977579      2.336549
  C      -5.757298      9.382912      3.519523
  C      -6.966032      9.045472      4.152728
  C      -7.106237      7.816134      4.787119
  C      -6.034868      6.927341      4.788204
  F      -6.230007      5.745494      5.421741
  C      -4.810582      7.209957      4.159841
  C      -3.607479      6.297860      4.076066
  O      -2.708423      6.570911      3.292411
  C      -3.538822      5.092193      5.007575
  C      -4.709550      8.457754      3.530871
  C      -8.159039     -5.292966      4.484282
  C      -7.172145     -4.343097      5.132261
  O      -6.291588     -4.767051      5.876323
  C      -7.298942     -2.884437      4.839377
  C      -8.282162     -2.382118      3.968654
  C      -8.361260     -1.018244      3.713293
  C      -7.448134     -0.162477      4.320794
  F      -7.586319      1.160106      4.052395
  C      -6.446056     -0.609406      5.196439
  C      -5.409745      0.252702      5.860439
  O      -4.800636     -0.172611      6.841341
  C      -5.142803      1.651140      5.286061
  C      -6.405907     -1.991285      5.440898
  H      -4.087423     -7.357394      3.715300
  H      -5.554691     -6.334837      3.702546
  H      -4.587208     -6.494575      2.222086
  H      -5.545825     -4.521431      1.798055
  H      -5.982604     -2.180012      1.011207
  H      -1.103915     -1.311893      4.783638
  H      -2.451699     -1.236719      5.931960
  H      -2.664103     -3.014966      4.600112
  H      -7.035190     11.951992      3.778791
  H      -7.569572     11.212843      2.260931
  H      -6.391141     12.565590      2.222396
  H      -7.805083      9.741718      4.156169
  H      -8.033489      7.528274      5.283296
  H      -3.730924      5.495323      6.030748
  H      -4.402572      4.443607      4.792254
  H      -3.772418      8.706223      3.030363
  H      -9.189865     -5.047954      4.783077
  H      -7.926213     -6.317699      4.793412
  H      -8.114037     -5.218968      3.387023
  H      -8.991425     -3.053103      3.484115
  H      -9.120281     -0.599425      3.051931
  H      -6.029370      2.269045      5.544393
  H      -5.151330      1.576557      4.188092
  H      -5.642203     -2.377425      6.116853
  N      -0.710148      2.598222      3.646364
  N       0.118279      2.948862      2.713706
  H      -0.108982      3.742942      2.108872
  H       0.804008      2.273944      2.369965
90
Coordinates from ORCA-job orca E -6562.222594351625
  N      -1.403417      0.589038      5.640707
  Mo     -2.069481      2.271299      4.780797
  N      -3.889740      2.245932      5.722999
  C      -3.872987      2.747087      7.088984
  C      -2.520895      2.454695      7.731199
  N      -1.373625      2.841331      6.832915
  C      -0.181056      1.998624      7.130013
  C      -0.506676      0.549766      6.756831
  C      -1.075488      4.314823      6.923748
  C      -1.152902      4.925571      5.521042
  N      -2.318295      4.337591      4.873624
  H       0.438488      0.014030      6.527553
  H      -0.953432      0.016617      7.625079
  H       0.639637      2.383944      6.510649
  H       0.101403      2.091908      8.192871
  H      -1.215785      6.025206      5.588272
  H      -0.246295      4.679537      4.947522
  H      -1.846814      4.766253      7.564658
  H      -0.102078      4.471395      7.414883
  H      -4.637741      2.246093      7.705444
  H      -4.101410      3.832529      7.137221
  H      -2.457886      1.375137      7.902106
  H      -2.405984      2.972267      8.698820
  C      -4.566935     -6.426668      3.314285
  C      -3.746534     -5.250903      3.797518
  O      -2.839716     -5.413767      4.610525
  C      -4.072045     -3.888806      3.271355
  C      -5.010699     -3.672527      2.245060
  C      -5.236770     -2.369042      1.786470
  C      -4.537403     -1.311232      2.337239
  F      -4.810147     -0.070471      1.860490
  C      -3.584778     -1.466192      3.384898
  C      -2.847943     -0.395571      3.988493
  O      -2.862005      0.822759      3.513803
  C      -1.937685     -0.659382      5.161923
  C      -3.398382     -2.800999      3.827067
  C      -6.764381     11.610530      2.723362
  C      -5.596872     10.651925      2.793418
  O      -4.518088     10.931095      2.280733
  C      -5.788460      9.347027      3.506489
  C      -6.988602      9.008731      4.155733
  C      -7.109773      7.789611      4.813602
  C      -6.028763      6.912427      4.821493
  F      -6.205752      5.740115      5.478480
  C      -4.812590      7.196990      4.179080
  C      -3.597271      6.298073      4.103702
  O      -2.694077      6.584718      3.330043
  C      -3.525548      5.085717      5.027257
  C      -4.730735      8.434224      3.527194
  C      -8.207569     -5.263426      4.485438
  C      -7.210628     -4.321758      5.129511
  O      -6.339014     -4.751040      5.880677
  C      -7.316544     -2.864297      4.826799
  C      -8.281947     -2.354279      3.940439
  C      -8.339255     -0.991366      3.674778
  C      -7.422636     -0.143566      4.288203
  F      -7.537804      1.178495      4.009620
  C      -6.437819     -0.598479      5.179181
  C      -5.392611      0.249760      5.846016
  O      -4.786646     -0.186666      6.824379
  C      -5.113103      1.649798      5.280414
  C      -6.419366     -1.978975      5.432912
  H      -4.144629     -7.350508      3.723878
  H      -5.604951     -6.320855      3.663039
  H      -4.588394     -6.482470      2.216313
  H      -5.561466     -4.501026      1.801838
  H      -5.961248     -2.158559      0.998987
  H      -1.132241     -1.360388      4.837899
  H      -2.491284     -1.195004      5.964668
  H      -2.691205     -3.018309      4.626976
  H      -7.086677     11.906957      3.733429
  H      -7.629389     11.137961      2.233169
  H      -6.464258     12.500536      2.160470
  H      -7.834967      9.695925      4.153259
  H      -8.029225      7.500697      5.323312
  H      -3.719538      5.477473      6.054279
  H      -4.387323      4.436176      4.806623
  H      -3.799438      8.683427      3.016327
  H      -9.236846     -4.998029      4.771264
  H      -7.994001     -6.288250      4.807466
  H      -8.150869     -5.202707      3.387831
  H      -8.994245     -3.018634      3.451308
  H      -9.083355     -0.567090      3.000208
  H      -5.997946      2.270690      5.539232
  H      -5.118509      1.582392      4.182085
  H      -5.667826     -2.369307      6.119831
  N      -0.678324      2.629178      3.656783
  N       0.137243      3.047069      2.739038
  H      -0.133765      3.842609      2.153999
  H       0.836259      2.402119      2.366188
90
Coordinates from ORCA-job orca E -6562.223616129544
  N      -1.359891      0.579780      5.622957
  Mo     -2.034924      2.265171      4.780677
  N      -3.857394      2.231146      5.724067
  C      -3.840630      2.726808      7.091781
  C      -2.486145      2.437261      7.728608
  N      -1.342436      2.832370      6.831214
  C      -0.145773      1.992429      7.121236
  C      -0.467494      0.543466      6.744992
  C      -1.050497      4.306056      6.927412
  C      -1.138527      4.926504      5.529479
  N      -2.301586      4.335641      4.880615
  H       0.479928      0.010149      6.520487
  H      -0.918516      0.007455      7.608619
  H       0.670007      2.382651      6.498605
  H       0.141269      2.083034      8.182907
  H      -1.211138      6.025045      5.607217
  H      -0.231710      4.695243      4.951016
  H      -1.819917      4.750891      7.575070
  H      -0.074357      4.463895      7.412508
  H      -4.600433      2.217067      7.707466
  H      -4.077026      3.810262      7.147794
  H      -2.417009      1.357308      7.893966
  H      -2.373075      2.951036      8.698558
  C      -4.598891     -6.420761      3.321039
  C      -3.791405     -5.248394      3.834355
  O      -2.904391     -5.417159      4.666963
  C      -4.092009     -3.885125      3.296598
  C      -5.016422     -3.663038      2.259001
  C      -5.222359     -2.360844      1.789246
  C      -4.514161     -1.308365      2.339261
  F      -4.764971     -0.067245      1.852770
  C      -3.573296     -1.469809      3.396042
  C      -2.827850     -0.405188      3.998879
  O      -2.823242      0.811352      3.520209
  C      -1.939250     -0.665590      5.188916
  C      -3.409700     -2.802616      3.851773
  C      -6.825831     11.549056      2.687924
  C      -5.650829     10.599749      2.753199
  O      -4.584049     10.875833      2.214416
  C      -5.820229      9.308120      3.495029
  C      -7.007558      8.972943      4.169485
  C      -7.107974      7.765818      4.852388
  C      -6.019696      6.898146      4.859748
  F      -6.175420      5.736397      5.541968
  C      -4.815926      7.180470      4.194485
  C      -3.591719      6.291573      4.120996
  O      -2.689514      6.586408      3.349651
  C      -3.512227      5.076610      5.042546
  C      -4.754393      8.405458      3.517831
  C      -8.260324     -5.225911      4.466766
  C      -7.258546     -4.294544      5.117179
  O      -6.397588     -4.732652      5.875082
  C      -7.340602     -2.837236      4.808579
  C      -8.287201     -2.317702      3.907909
  C      -8.321411     -0.955505      3.634254
  C      -7.400179     -0.118560      4.254665
  F      -7.489471      1.203556      3.967808
  C      -6.433084     -0.583297      5.160477
  C      -5.380447      0.249262      5.831455
  O      -4.779735     -0.197936      6.808720
  C      -5.082917      1.647903      5.272434
  C      -6.438157     -1.962797      5.421276
  H      -4.192189     -7.346818      3.740868
  H      -5.647893     -6.315014      3.634077
  H      -4.582274     -6.471627      2.222801
  H      -5.573249     -4.487476      1.815959
  H      -5.936553     -2.146896      0.993562
  H      -1.157007     -1.406904      4.904708
  H      -2.526336     -1.145808      6.003567
  H      -2.714784     -3.023004      4.661512
  H      -7.130522     11.861215      3.698546
  H      -7.696578     11.062361      2.222745
  H      -6.542606     12.430635      2.103590
  H      -7.859550      9.652801      4.166862
  H      -8.016508      7.479103      5.382239
  H      -3.703361      5.460263      6.072397
  H      -4.372212      4.425002      4.821196
  H      -3.832372      8.652304      2.989561
  H      -9.289486     -4.943990      4.735632
  H      -8.065521     -6.251479      4.797678
  H      -8.186543     -5.173389      3.369686
  H      -9.002900     -2.973951      3.413121
  H      -9.049914     -0.524310      2.947457
  H      -5.964302      2.275218      5.529629
  H      -5.081669      1.585280      4.174092
  H      -5.699356     -2.358798      6.118335
  N      -0.647214      2.655490      3.665295
  N       0.150720      3.145651      2.766374
  H      -0.162867      3.941976      2.203711
  H       0.865524      2.538446      2.361941
90
Coordinates from ORCA-job orca E -6562.224624028353
  N      -1.316042      0.568993      5.604981
  Mo     -2.001170      2.257241      4.782518
  N      -3.821430      2.215831      5.730263
  C      -3.804270      2.705181      7.099779
  C      -2.446762      2.417460      7.729417
  N      -1.307924      2.820797      6.830859
  C      -0.107372      1.983150      7.111816
  C      -0.426080      0.534475      6.732013
  C      -1.022364      4.295283      6.932911
  C      -1.120273      4.924533      5.539815
  N      -2.280312      4.330988      4.887874
  H       0.522619      0.003184      6.509746
  H      -0.880546     -0.005151      7.590788
  H       0.703318      2.378481      6.485930
  H       0.185096      2.070807      8.172220
  H      -1.201416      6.021962      5.626792
  H      -0.212384      4.706785      4.958479
  H      -1.789722      4.732052      7.588273
  H      -0.043365      4.453985      7.411793
  H      -4.559715      2.187130      7.713911
  H      -4.046884      3.787030      7.162688
  H      -2.372459      1.336884      7.888181
  H      -2.332053      2.926206      8.701885
  C      -4.635953     -6.410837      3.334093
  C      -3.832787     -5.243305      3.864661
  O      -2.975840     -5.415111      4.727071
  C      -4.110242     -3.879026      3.317203
  C      -5.019956     -3.651082      2.267846
  C      -5.206697     -2.350133      1.789079
  C      -4.491761     -1.302896      2.340504
  F      -4.721315     -0.061175      1.846218
  C      -3.563173     -1.470830      3.406817
  C      -2.809423     -0.413805      4.011144
  O      -2.786847      0.801293      3.530468
  C      -1.941163     -0.670558      5.216765
  C      -3.421545     -2.801962      3.874260
  C      -6.898185     11.474171      2.648274
  C      -5.713183     10.537234      2.708420
  O      -4.661316     10.810733      2.139794
  C      -5.854681      9.261368      3.481786
  C      -7.026723      8.928956      4.184122
  C      -7.103307      7.735967      4.893856
  C      -6.006700      6.879719      4.899945
  F      -6.138249      5.730274      5.608780
  C      -4.816917      7.159977      4.209610
  C      -3.583944      6.282746      4.136990
  O      -2.685722      6.583146      3.363262
  C      -3.494090      5.065984      5.056806
  C      -4.778741      8.370850      3.506036
  C      -8.311124     -5.181528      4.438806
  C      -7.306552     -4.261165      5.099282
  O      -6.461480     -4.708564      5.869281
  C      -7.364772     -2.803063      4.786931
  C      -8.291995     -2.274413      3.872257
  C      -8.303351     -0.912745      3.592596
  C      -7.378180     -0.087564      4.221380
  F      -7.442895      1.234839      3.927159
  C      -6.429035     -0.561831      5.142484
  C      -5.371954      0.255070      5.820587
  O      -4.778398     -0.203120      6.797789
  C      -5.051227      1.649837      5.268129
  C      -6.458116     -1.940508      5.408706
  H      -4.253089     -7.337380      3.774442
  H      -5.694521     -6.293501      3.607871
  H      -4.580546     -6.469483      2.237523
  H      -5.581276     -4.471439      1.822960
  H      -5.910282     -2.132923      0.984995
  H      -1.184632     -1.450250      4.973640
  H      -2.558511     -1.091254      6.042693
  H      -2.739214     -3.024780      4.693908
  H      -7.183561     11.805560      3.658284
  H      -7.774414     10.970153      2.213248
  H      -6.636177     12.345209      2.038876
  H      -7.885606      9.599781      4.181897
  H      -7.999476      7.451695      5.445454
  H      -3.681480      5.443924      6.088673
  H      -4.352204      4.412050      4.835566
  H      -3.867914      8.615601      2.958009
  H      -9.340614     -4.883060      4.686971
  H      -8.136152     -6.207255      4.779871
  H      -8.216958     -5.138156      3.342842
  H      -9.010229     -2.922570      3.370863
  H      -9.016035     -0.474276      2.894152
  H      -5.925702      2.288117      5.523543
  H      -5.042228      1.592240      4.169864
  H      -5.733450     -2.342965      6.116521
  N      -0.617586      2.677093      3.674742
  N       0.158655      3.244897      2.800566
  H      -0.195015      4.044007      2.265870
  H       0.889497      2.684067      2.359741
90
Coordinates from ORCA-job orca E -6562.225551784656
  N      -1.266181      0.558268      5.586224
  Mo     -1.966055      2.248704      4.784444
  N      -3.780343      2.198015      5.739359
  C      -3.764162      2.681640      7.110213
  C      -2.403399      2.396187      7.733050
  N      -1.270396      2.808615      6.831679
  C      -0.064830      1.974620      7.102298
  C      -0.378273      0.526056      6.717621
  C      -0.993428      4.284803      6.941271
  C      -1.100749      4.922543      5.552949
  N      -2.256285      4.324359      4.895795
  H       0.572221     -0.001776      6.496538
  H      -0.834173     -0.017255      7.572682
  H       0.740870      2.376640      6.474283
  H       0.232987      2.058625      8.161620
  H      -1.191061      6.018576      5.648777
  H      -0.190345      4.718999      4.970885
  H      -1.759643      4.711399      7.604515
  H      -0.012410      4.445797      7.415176
  H      -4.515863      2.155897      7.722260
  H      -4.012101      3.762195      7.178560
  H      -2.324869      1.314961      7.885533
  H      -2.285093      2.899300      8.707960
  C      -4.677964     -6.396810      3.352338
  C      -3.884150     -5.233608      3.905283
  O      -3.048350     -5.410856      4.787131
  C      -4.131753     -3.869809      3.342591
  C      -5.024888     -3.636958      2.279890
  C      -5.188642     -2.337637      1.789809
  C      -4.465424     -1.296225      2.341460
  F      -4.672226     -0.054805      1.837117
  C      -3.549649     -1.469841      3.417859
  C      -2.787479     -0.419556      4.023201
  O      -2.750167      0.792894      3.539392
  C      -1.937134     -0.672177      5.242850
  C      -3.433326     -2.798748      3.898813
  C      -6.977416     11.388950      2.608141
  C      -5.781580     10.465365      2.662934
  O      -4.745716     10.736365      2.064508
  C      -5.892376      9.206637      3.468275
  C      -7.047905      8.876638      4.198524
  C      -7.099184      7.698926      4.935010
  C      -5.993493      6.854966      4.939737
  F      -6.100323      5.719744      5.675131
  C      -4.818039      7.133686      4.224165
  C      -3.576834      6.269546      4.151015
  O      -2.681807      6.578322      3.376552
  C      -3.473868      5.052369      5.068875
  C      -4.805149      8.329519      3.493891
  C      -8.367294     -5.130265      4.403229
  C      -7.361017     -4.222950      5.078627
  O      -6.534293     -4.681267      5.862119
  C      -7.392603     -2.763924      4.762192
  C      -8.298422     -2.224338      3.833003
  C      -8.283184     -0.863356      3.548457
  C      -7.352875     -0.052020      4.186753
  F      -7.390673      1.270453      3.885107
  C      -6.423942     -0.537694      5.123245
  C      -5.360915      0.261926      5.809142
  O      -4.782139     -0.204965      6.791639
  C      -5.015617      1.652893      5.265094
  C      -6.480602     -1.915032      5.394109
  H      -4.318845     -7.323788      3.811358
  H      -5.745565     -6.270550      3.583803
  H      -4.581523     -6.461486      2.258715
  H      -5.592363     -4.452881      1.834516
  H      -5.880738     -2.117218      0.976659
  H      -1.209029     -1.487785      5.038713
  H      -2.579662     -1.034135      6.078364
  H      -2.764894     -3.023164      4.729328
  H      -7.243398     11.741382      3.616330
  H      -7.858229     10.866449      2.205601
  H      -6.738563     12.247950      1.972698
  H      -7.914404      9.537568      4.197033
  H      -7.982481      7.417319      5.508312
  H      -3.659407      5.427433      6.101856
  H      -4.329006      4.394375      4.847969
  H      -3.906381      8.572707      2.925693
  H      -9.396949     -4.814414      4.627921
  H      -8.214564     -6.156419      4.753650
  H      -8.249964     -5.095133      3.309146
  H      -9.020075     -2.862821      3.324317
  H      -8.978424     -0.415777      2.838340
  H      -5.881805      2.304270      5.516780
  H      -4.997850      1.600441      4.166831
  H      -5.772206     -2.326392      6.113146
  N      -0.585913      2.697880      3.683176
  N       0.163117      3.342533      2.836050
  H      -0.232704      4.142226      2.331635
  H       0.906051      2.831226      2.356878
90
Coordinates from ORCA-job orca E -6562.226468919294
  N      -1.211377      0.547342      5.569129
  Mo     -1.930044      2.240270      4.789377
  N      -3.734319      2.178473      5.755401
  C      -3.718531      2.659391      7.126658
  C      -2.354394      2.374489      7.742464
  N      -1.228343      2.795173      6.835948
  C      -0.017190      1.965404      7.094573
  C      -0.324771      0.517077      6.704019
  C      -0.960158      4.273508      6.954531
  C      -1.075744      4.919350      5.570981
  N      -2.226831      4.316526      4.908109
  H       0.627514     -0.006640      6.482753
  H      -0.780300     -0.029612      7.556525
  H       0.783416      2.375087      6.464903
  H       0.286645      2.045008      8.152722
  H      -1.174388      6.013964      5.674726
  H      -0.162364      4.728922      4.989521
  H      -1.725535      4.689103      7.625627
  H       0.022304      4.436537      7.424810
  H      -4.467618      2.128692      7.737337
  H      -3.968753      3.739570      7.197864
  H      -2.273467      1.292502      7.889082
  H      -2.229079      2.871505      8.719460
  C      -4.721099     -6.378443      3.373126
  C      -3.926324     -5.221863      3.937647
  O      -3.116550     -5.403238      4.843026
  C      -4.145416     -3.858815      3.361678
  C      -5.022577     -3.621677      2.286335
  C      -5.165330     -2.323196      1.787952
  C      -4.436703     -1.287231      2.342474
  F      -4.625200     -0.045981      1.830668
  C      -3.533110     -1.465784      3.428669
  C      -2.764435     -0.421501      4.036442
  O      -2.716603      0.788955      3.550209
  C      -1.928594     -0.670549      5.267913
  C      -3.439173     -2.793505      3.919021
  C      -7.066440     11.286574      2.564136
  C      -5.857383     10.379833      2.615945
  O      -4.837660     10.650315      1.990139
  C      -5.934719      9.138955      3.452207
  C      -7.073533      8.808768      4.207843
  C      -7.097201      7.647442      4.970965
  C      -5.979734      6.819207      4.976673
  F      -6.059841      5.699587      5.738077
  C      -4.818295      7.099373      4.238117
  C      -3.566739      6.252514      4.167186
  O      -2.676167      6.569495      3.390266
  C      -3.448172      5.037025      5.084647
  C      -4.833603      8.278712      3.481040
  C      -8.430028     -5.066398      4.358884
  C      -7.423802     -4.174066      5.054326
  O      -6.619990     -4.644398      5.854604
  C      -7.426616     -2.714132      4.735162
  C      -8.308925     -2.161558      3.791303
  C      -8.264685     -0.801362      3.504438
  C      -7.329232     -0.005770      4.154749
  F      -7.339049      1.316708      3.847616
  C      -6.423141     -0.504933      5.106703
  C      -5.356298      0.276607      5.806015
  O      -4.789864     -0.205618      6.788648
  C      -4.978622      1.661338      5.269575
  C      -6.509149     -1.880613      5.379400
  H      -4.394638     -7.304616      3.857617
  H      -5.794927     -6.231834      3.560604
  H      -4.585128     -6.460186      2.284529
  H      -5.594179     -4.433537      1.838576
  H      -5.846287     -2.099356      0.966225
  H      -1.231440     -1.519638      5.100601
  H      -2.591592     -0.975256      6.111086
  H      -2.783425     -3.019456      4.759182
  H      -7.316681     11.660299      3.568825
  H      -7.948669     10.743349      2.193271
  H      -6.852291     12.132909      1.903323
  H      -7.949543      9.457271      4.205714
  H      -7.967724      7.366876      5.564110
  H      -3.631351      5.412645      6.117839
  H      -4.300389      4.373924      4.866378
  H      -3.946993      8.522841      2.894369
  H      -9.459500     -4.732267      4.556780
  H      -8.302539     -6.093186      4.717798
  H      -8.286119     -5.038733      3.267693
  H      -9.033923     -2.788929      3.273578
  H      -8.940938     -0.342834      2.782928
  H      -5.831955      2.331417      5.516167
  H      -4.952959      1.612662      4.171291
  H      -5.819759     -2.303307      6.110405
  N      -0.553679      2.714085      3.692461
  N       0.155381      3.429631      2.864690
  H      -0.286051      4.228630      2.396802
  H       0.902861      2.969504      2.342528
90
Coordinates from ORCA-job orca E -6562.227426978852
  N      -1.159012      0.538221      5.551021
  Mo     -1.899711      2.233611      4.793390
  N      -3.690238      2.154669      5.774438
  C      -3.674573      2.632181      7.146438
  C      -2.305873      2.349442      7.753448
  N      -1.189179      2.781785      6.840256
  C       0.028653      1.957639      7.084725
  C      -0.273810      0.509351      6.688728
  C      -0.931327      4.262533      6.969443
  C      -1.055072      4.916419      5.590485
  N      -2.201455      4.308754      4.921556
  H       0.679741     -0.011150      6.467327
  H      -0.728350     -0.038330      7.540678
  H       0.823419      2.375239      6.452662
  H       0.340104      2.032411      8.141223
  H      -1.161868      6.009533      5.701093
  H      -0.138767      4.738112      5.009984
  H      -1.695609      4.666278      7.648936
  H       0.052335      4.428458      7.436287
  H      -4.419705      2.095235      7.756211
  H      -3.927884      3.711367      7.221599
  H      -2.220878      1.266515      7.892964
  H      -2.172335      2.838826      8.732934
  C      -4.760098     -6.358038      3.392739
  C      -3.972372     -5.204313      3.972533
  O      -3.183244     -5.388135      4.895972
  C      -4.166668     -3.843001      3.383787
  C      -5.028514     -3.604127      2.296330
  C      -5.151301     -2.306638      1.789296
  C      -4.417305     -1.275365      2.345045
  F      -4.589800     -0.035511      1.823732
  C      -3.524410     -1.456464      3.440160
  C      -2.748405     -0.416312      4.046839
  O      -2.691508      0.791130      3.554447
  C      -1.924822     -0.661953      5.288698
  C      -3.453155     -2.782211      3.940873
  C      -7.133334     11.198573      2.524550
  C      -5.913090     10.306761      2.579128
  O      -4.901920     10.580359      1.940952
  C      -5.967634      9.077731      3.434819
  C      -7.097418      8.743473      4.201490
  C      -7.101599      7.594161      4.982867
  C      -5.972729      6.781059      4.995632
  F      -6.035186      5.673740      5.774977
  C      -4.818025      7.066376      4.247022
  C      -3.555896      6.237287      4.183768
  O      -2.662999      6.568117      3.414373
  C      -3.426493      5.021927      5.098383
  C      -4.853986      8.233533      3.471670
  C      -8.478013     -5.013320      4.313829
  C      -7.473120     -4.135239      5.030005
  O      -6.691175     -4.616431      5.845398
  C      -7.450976     -2.674637      4.710563
  C      -8.312620     -2.108480      3.755576
  C      -8.243187     -0.748766      3.470940
  C      -7.303722      0.031904      4.134130
  F      -7.290278      1.354692      3.826732
  C      -6.418122     -0.481377      5.097025
  C      -5.346966      0.283934      5.808836
  O      -4.803068     -0.206244      6.800126
  C      -4.943187      1.663878      5.279612
  C      -6.529130     -1.855525      5.367489
  H      -4.462192     -7.282142      3.899293
  H      -5.838994     -6.198266      3.535630
  H      -4.584284     -6.454154      2.310718
  H      -5.603026     -4.412863      1.846536
  H      -5.821521     -2.080370      0.959257
  H      -1.263452     -1.544229      5.156276
  H      -2.605392     -0.909572      6.136915
  H      -2.809143     -3.008539      4.790017
  H      -7.380176     11.584354      3.525711
  H      -8.012377     10.639694      2.169241
  H      -6.934586     12.037647      1.849703
  H      -7.982320      9.380140      4.194545
  H      -7.965363      7.311758      5.585133
  H      -3.610921      5.398893      6.131246
  H      -4.275781      4.354692      4.880407
  H      -3.973792      8.482089      2.877092
  H      -9.506653     -4.663457      4.488172
  H      -8.373871     -6.041141      4.677741
  H      -8.310115     -4.990091      3.225923
  H      -9.040371     -2.724955      3.228519
  H      -8.902937     -0.278821      2.741311
  H      -5.785130      2.350669      5.519433
  H      -4.910738      1.616462      4.181347
  H      -5.856664     -2.290919      6.107035
  N      -0.529082      2.732189      3.696866
  N       0.122432      3.516079      2.880545
  H      -0.371221      4.314326      2.465156
  H       0.866771      3.112207      2.309780
90
Coordinates from ORCA-job orca E -6562.228335574458
  N      -1.107359      0.531503      5.539941
  Mo     -1.873088      2.226022      4.797379
  N      -3.648639      2.128561      5.791904
  C      -3.634722      2.610382      7.162653
  C      -2.262945      2.329660      7.763960
  N      -1.154822      2.771823      6.844764
  C       0.070480      1.956402      7.079164
  C      -0.223458      0.506966      6.679933
  C      -0.907911      4.254889      6.981225
  C      -1.032631      4.911438      5.603785
  N      -2.173264      4.298075      4.928609
  H       0.732484     -0.008108      6.458625
  H      -0.675501     -0.041513      7.532057
  H       0.859536      2.382067      6.445119
  H       0.387806      2.028698      8.134242
  H      -1.146659      6.003615      5.715144
  H      -0.112230      4.740452      5.027746
  H      -1.674619      4.649838      7.663073
  H       0.074430      4.425065      7.449534
  H      -4.377987      2.071670      7.772813
  H      -3.888626      3.689481      7.235678
  H      -2.174693      1.245976      7.898012
  H      -2.122440      2.812962      8.745240
  C      -4.784151     -6.345370      3.428506
  C      -3.996986     -5.193591      4.013113
  O      -3.225559     -5.376227      4.952025
  C      -4.170439     -3.836085      3.409541
  C      -5.017404     -3.600355      2.309697
  C      -5.125286     -2.304569      1.793831
  C      -4.391864     -1.274432      2.351799
  F      -4.555632     -0.036869      1.821124
  C      -3.509490     -1.453092      3.456485
  C      -2.731360     -0.412911      4.060578
  O      -2.671630      0.792124      3.559938
  C      -1.917323     -0.650483      5.311690
  C      -3.454578     -2.776612      3.966279
  C      -7.191422     11.119508      2.507587
  C      -5.962530     10.239219      2.557786
  O      -4.960620     10.515644      1.906351
  C      -5.996767      9.017312      3.425198
  C      -7.116554      8.678209      4.203857
  C      -7.101796      7.537114      4.997312
  C      -5.963358      6.736734      5.010276
  F      -6.008145      5.638121      5.801817
  C      -4.817126      7.027936      4.249805
  C      -3.546323      6.214280      4.188632
  O      -2.655863      6.553789      3.419418
  C      -3.402981      5.002507      5.105486
  C      -4.873170      8.186202      3.462411
  C      -8.526740     -4.952475      4.254667
  C      -7.528376     -4.087809      4.996884
  O      -6.772045     -4.579065      5.830174
  C      -7.482414     -2.626956      4.679548
  C      -8.322610     -2.046182      3.713845
  C      -8.229188     -0.686991      3.433972
  C      -7.287216      0.078890      4.111876
  F      -7.250672      1.401733      3.806271
  C      -6.423039     -0.449607      5.084943
  C      -5.350392      0.299620      5.814285
  O      -4.823605     -0.205643      6.806861
  C      -4.913161      1.671102      5.289134
  C      -6.557598     -1.822105      5.350705
  H      -4.518922     -7.264657      3.961453
  H      -5.865076     -6.166238      3.527680
  H      -4.571509     -6.464647      2.355112
  H      -5.591042     -4.408630      1.857951
  H      -5.785301     -2.078866      0.955335
  H      -1.289642     -1.560401      5.213932
  H      -2.612396     -0.843008      6.162588
  H      -2.822100     -3.000441      4.824765
  H      -7.432661     11.511664      3.507797
  H      -8.068847     10.549800      2.165069
  H      -7.006380     11.954693      1.823968
  H      -8.008750      9.304964      4.197434
  H      -7.957924      7.251821      5.609210
  H      -3.585582      5.385069      6.136902
  H      -4.249504      4.329512      4.893868
  H      -4.000576      8.440183      2.858814
  H      -9.555025     -4.589753      4.403777
  H      -8.445529     -5.981904      4.620274
  H      -8.331641     -4.930300      3.171256
  H      -9.051768     -2.651430      3.175585
  H      -8.872010     -0.205379      2.696650
  H      -5.738990      2.379502      5.520740
  H      -4.874728      1.621199      4.191046
  H      -5.902820     -2.271276      6.098098
  N      -0.505131      2.736811      3.693421
  N       0.057404      3.578772      2.867592
  H      -0.502440      4.362939      2.512750
  H       0.793394      3.236792      2.248337
90
Coordinates from ORCA-job orca E -6562.228946448789
  N      -1.067689      0.523092      5.523439
  Mo     -1.852632      2.216722      4.793273
  N      -3.617177      2.103622      5.800576
  C      -3.602758      2.590967      7.169105
  C      -2.229073      2.313482      7.763973
  N      -1.128525      2.762950      6.840595
  C       0.101867      1.953543      7.066626
  C      -0.186927      0.502456      6.666460
  C      -0.889356      4.246258      6.979314
  C      -1.016367      4.903184      5.602365
  N      -2.153872      4.286550      4.925280
  H       0.771128     -0.008946      6.447639
  H      -0.638717     -0.045863      7.518365
  H       0.885139      2.383675      6.428471
  H       0.425514      2.024559      8.119771
  H      -1.135489      5.994738      5.713117
  H      -0.095398      4.736097      5.026495
  H      -1.656835      4.637209      7.662434
  H       0.092570      4.420845      7.446780
  H      -4.343347      2.051677      7.781882
  H      -3.858166      3.669273      7.239979
  H      -2.136416      1.229815      7.893953
  H      -2.085967      2.793252      8.746495
  C      -4.796433     -6.343589      3.469674
  C      -4.021640     -5.186883      4.061940
  O      -3.271390     -5.361463      5.018940
  C      -4.180801     -3.834800      3.442552
  C      -5.013606     -3.606310      2.330947
  C      -5.110021     -2.314498      1.802692
  C      -4.377382     -1.282930      2.358810
  F      -4.532123     -0.049663      1.814944
  C      -3.505131     -1.455330      3.472442
  C      -2.724468     -0.411960      4.067838
  O      -2.658901      0.788215      3.553511
  C      -1.916040     -0.639502      5.324430
  C      -3.465195     -2.773566      3.996380
  C      -7.224010     11.070272      2.507458
  C      -5.990162     10.197286      2.554895
  O      -4.989900     10.480782      1.904239
  C      -6.015970      8.975098      3.422527
  C      -7.133517      8.627068      4.200413
  C      -7.108261      7.487114      4.995342
  C      -5.962302      6.697299      5.010947
  F      -5.997960      5.600224      5.805134
  C      -4.818265      6.998109      4.250871
  C      -3.538139      6.197960      4.193560
  O      -2.645743      6.551573      3.432972
  C      -3.387433      4.983392      5.106165
  C      -4.885331      8.154586      3.462211
  C      -8.557517     -4.905657      4.205177
  C      -7.565358     -4.050578      4.966590
  O      -6.828788     -4.548562      5.812836
  C      -7.501173     -2.590676      4.652015
  C      -8.323385     -1.998428      3.677647
  C      -8.213329     -0.639863      3.402803
  C      -7.272112      0.115394      4.094163
  F      -7.218833      1.438254      3.794325
  C      -6.425615     -0.425056      5.075140
  C      -5.352416      0.311365      5.818380
  O      -4.850113     -0.197207      6.821548
  C      -4.890485      1.674892      5.293980
  C      -6.576442     -1.796231      5.335905
  H      -4.559326     -7.255168      4.028173
  H      -5.878572     -6.154890      3.522550
  H      -4.542684     -6.483693      2.407878
  H      -5.585855     -4.415963      1.880415
  H      -5.760379     -2.092758      0.955826
  H      -1.319030     -1.571276      5.254536
  H      -2.619696     -0.784150      6.178140
  H      -2.844626     -2.992572      4.864584
  H      -7.467857     11.457086      3.508935
  H      -8.097520     10.496547      2.161919
  H      -7.043432     11.908914      1.827025
  H      -8.031451      9.245265      4.191992
  H      -7.961919      7.194661      5.607065
  H      -3.567982      5.364740      6.138360
  H      -4.232481      4.308086      4.898349
  H      -4.014538      8.416704      2.859593
  H      -9.584895     -4.534352      4.337236
  H      -8.492673     -5.936658      4.569239
  H      -8.342709     -4.882114      3.125672
  H      -9.052077     -2.594746      3.129033
  H      -8.842562     -0.149792      2.659537
  H      -5.703577      2.399708      5.519764
  H      -4.848370      1.620704      4.196308
  H      -5.935298     -2.255311      6.088872
  N      -0.489946      2.744752      3.681392
  N      -0.010206      3.645770      2.865979
  H      -0.602332      4.445465      2.612887
  H       0.718408      3.375080      2.205722
90
Coordinates from ORCA-job orca E -6562.229560944447
  N      -1.038558      0.524463      5.509351
  Mo     -1.864640      2.212045      4.806572
  N      -3.603275      2.068540      5.844148
  C      -3.577071      2.553628      7.214439
  C      -2.194363      2.282058      7.786216
  N      -1.114572      2.752263      6.851223
  C       0.129170      1.958835      7.052551
  C      -0.143716      0.506702      6.642624
  C      -0.892696      4.236083      6.996810
  C      -1.021020      4.894495      5.621581
  N      -2.154771      4.275606      4.939957
  H       0.819104      0.013724      6.405916
  H      -0.577327     -0.058081      7.492345
  H       0.895795      2.405140      6.405302
  H       0.468622      2.024101      8.101076
  H      -1.145021      5.985821      5.730003
  H      -0.098971      4.730014      5.047226
  H      -1.665430      4.618122      7.678933
  H       0.087015      4.419424      7.465893
  H      -4.306364      2.006496      7.833714
  H      -3.838508      3.629271      7.291221
  H      -2.089179      1.197999      7.900863
  H      -2.042985      2.751018      8.772824
  C      -4.770084     -6.356426      3.492068
  C      -4.002438     -5.194569      4.084425
  O      -3.248393     -5.364009      5.039057
  C      -4.172248     -3.843676      3.464805
  C      -5.011659     -3.620034      2.357233
  C      -5.120541     -2.327685      1.832457
  C      -4.393152     -1.291753      2.387284
  F      -4.564255     -0.057919      1.848668
  C      -3.509487     -1.460395      3.493195
  C      -2.730420     -0.412453      4.079665
  O      -2.687851      0.793111      3.569625
  C      -1.899792     -0.635453      5.322107
  C      -3.459636     -2.778896      4.015100
  C      -7.194630     11.062226      2.474554
  C      -5.967199     10.180868      2.526243
  O      -4.964718     10.453139      1.874093
  C      -6.003542      8.961902      3.398471
  C      -7.125002      8.623299      4.175622
  C      -7.106057      7.486228      4.975295
  C      -5.963951      6.691200      4.997319
  F      -6.005706      5.597283      5.796616
  C      -4.817354      6.982718      4.237946
  C      -3.539666      6.176997      4.188160
  O      -2.647160      6.517875      3.422435
  C      -3.391783      4.970637      5.114822
  C      -4.877826      8.135750      3.444069
  C      -8.552239     -4.878099      4.116567
  C      -7.580128     -4.034807      4.915957
  O      -6.864035     -4.546156      5.771623
  C      -7.510915     -2.570412      4.628301
  C      -8.326310     -1.958552      3.660076
  C      -8.215635     -0.595124      3.411670
  C      -7.278642      0.147165      4.122750
  F      -7.222020      1.475266      3.851081
  C      -6.437661     -0.413171      5.096965
  C      -5.366750      0.309848      5.857184
  O      -4.875755     -0.210975      6.859473
  C      -4.890803      1.672332      5.342491
  C      -6.589576     -1.788829      5.332174
  H      -4.550698     -7.261857      4.067449
  H      -5.851852     -6.160501      3.515596
  H      -4.489551     -6.511561      2.438931
  H      -5.579789     -4.433078      1.907515
  H      -5.777876     -2.108318      0.990345
  H      -1.310143     -1.570425      5.248496
  H      -2.589997     -0.767436      6.188969
  H      -2.834438     -2.996067      4.880531
  H      -7.437331     11.452185      3.475017
  H      -8.071015     10.493978      2.127169
  H      -7.006475     11.898326      1.792963
  H      -8.020171      9.245256      4.162068
  H      -7.962390      7.199950      5.586306
  H      -3.567728      5.363405      6.142763
  H      -4.237705      4.294521      4.917015
  H      -4.004934      8.391310      2.841491
  H      -9.583474     -4.513085      4.235837
  H      -8.492820     -5.916423      4.460060
  H      -8.314323     -4.830814      3.042680
  H      -9.051963     -2.543716      3.095397
  H      -8.841168     -0.091142      2.674562
  H      -5.689433      2.409016      5.580041
  H      -4.854913      1.623033      4.244403
  H      -5.952238     -2.263685      6.078446
  N      -0.519254      2.753581      3.655512
  N      -0.187080      3.709690      2.835450
  H      -0.862531      4.465812      2.669659
  H       0.517301      3.527150      2.122604
90
Coordinates from ORCA-job orca E -6562.230013929420
  N      -1.033820      0.519370      5.495772
  Mo     -1.877855      2.207390      4.816615
  N      -3.605969      2.054278      5.876220
  C      -3.564580      2.538972      7.245576
  C      -2.176593      2.265707      7.800084
  N      -1.108522      2.741589      6.857100
  C       0.139674      1.951331      7.039374
  C      -0.128994      0.500162      6.621442
  C      -0.891006      4.223395      7.006338
  C      -1.024239      4.885960      5.634467
  N      -2.161573      4.271298      4.954778
  H       0.836249      0.017924      6.372539
  H      -0.550830     -0.077250      7.468328
  H       0.895906      2.404825      6.385038
  H       0.491016      2.010407      8.084265
  H      -1.147196      5.977063      5.747125
  H      -0.105661      4.722559      5.054490
  H      -1.665204      4.602601      7.688482
  H       0.088444      4.409625      7.474987
  H      -4.286912      1.991467      7.873071
  H      -3.826779      3.614532      7.326658
  H      -2.067241      1.181493      7.907540
  H      -2.019109      2.730598      8.787895
  C      -4.740825     -6.373319      3.483603
  C      -3.982279     -5.207381      4.080020
  O      -3.222379     -5.374466      5.029920
  C      -4.164887     -3.855471      3.465811
  C      -5.010058     -3.633475      2.362505
  C      -5.130692     -2.340715      1.842065
  C      -4.408917     -1.301329      2.398098
  F      -4.589805     -0.066686      1.864802
  C      -3.518645     -1.468583      3.499135
  C      -2.742170     -0.417982      4.082671
  O      -2.716467      0.792441      3.582409
  C      -1.893462     -0.643138      5.310827
  C      -3.456687     -2.787982      4.016306
  C      -7.176847     11.044767      2.419800
  C      -5.956628     10.154036      2.474491
  O      -4.960390     10.402464      1.803744
  C      -5.994164      8.952700      3.371012
  C      -7.109607      8.638914      4.167649
  C      -7.090245      7.516890      4.988269
  C      -5.955073      6.712762      5.011554
  F      -5.994531      5.633866      5.832396
  C      -4.816003      6.979418      4.233550
  C      -3.545492      6.160531      4.184081
  O      -2.660761      6.475760      3.399269
  C      -3.397414      4.968971      5.131331
  C      -4.875420      8.117895      3.419032
  C      -8.542537     -4.862450      4.066254
  C      -7.580095     -4.026676      4.884143
  O      -6.865725     -4.547890      5.735577
  C      -7.517136     -2.558147      4.621860
  C      -8.336583     -1.933345      3.665617
  C      -8.233984     -0.565727      3.438974
  C      -7.299164      0.169617      4.159533
  F      -7.249124      1.502170      3.912470
  C      -6.452030     -0.403921      5.121124
  C      -5.378287      0.308992      5.886535
  O      -4.872028     -0.229368      6.871263
  C      -4.901137      1.675315      5.382541
  C      -6.597329     -1.783731      5.335619
  H      -4.521298     -7.277630      4.060525
  H      -5.823386     -6.182427      3.498280
  H      -4.448421     -6.526194      2.433372
  H      -5.574177     -4.449029      1.912294
  H      -5.792546     -2.122883      1.003243
  H      -1.299881     -1.574259      5.223919
  H      -2.569893     -0.782631      6.187720
  H      -2.826684     -3.005578      4.878181
  H      -7.404348     11.454694      3.415641
  H      -8.061346     10.477499      2.092443
  H      -6.989706     11.866364      1.720593
  H      -7.999490      9.268025      4.152412
  H      -7.941176      7.248999      5.614864
  H      -3.563728      5.373831      6.155462
  H      -4.246964      4.293258      4.948911
  H      -4.007551      8.353442      2.801312
  H      -9.576821     -4.507485      4.188687
  H      -8.476782     -5.906735      4.389470
  H      -8.300414     -4.792631      2.994565
  H      -9.060672     -2.511677      3.091964
  H      -8.864159     -0.053491      2.711716
  H      -5.693853      2.412531      5.637460
  H      -4.875397      1.636483      4.283901
  H      -5.953981     -2.266241      6.071570
  N      -0.551154      2.769125      3.643779
  N      -0.289465      3.766180      2.849479
  H      -0.948966      4.554391      2.811978
  H       0.410295      3.658373      2.117930
90
Coordinates from ORCA-job orca E -6562.230433372710
  N      -1.067118      0.525180      5.489587
  Mo     -1.913466      2.211772      4.821824
  N      -3.644038      2.059318      5.888532
  C      -3.591645      2.545702      7.256324
  C      -2.202182      2.267798      7.806424
  N      -1.135421      2.741305      6.862313
  C       0.111873      1.947828      7.035560
  C      -0.159219      0.499722      6.611222
  C      -0.915090      4.219712      7.012879
  C      -1.043114      4.884179      5.642760
  N      -2.185548      4.277760      4.964015
  H       0.807027      0.020751      6.357437
  H      -0.578646     -0.086232      7.453979
  H       0.865687      2.402113      6.379042
  H       0.467117      2.000441      8.079488
  H      -1.158950      5.975869      5.758658
  H      -0.126526      4.715536      5.060230
  H      -1.694435      4.602239      7.687545
  H       0.061439      4.406451      7.487822
  H      -4.313557      2.004232      7.890374
  H      -3.850670      3.623315      7.336404
  H      -2.093878      1.183234      7.913526
  H      -2.046497      2.733799      8.794387
  C      -4.689748     -6.396725      3.461988
  C      -3.942875     -5.221448      4.055154
  O      -3.169175     -5.380872      4.994943
  C      -4.155490     -3.867911      3.452730
  C      -5.009350     -3.651296      2.355414
  C      -5.150460     -2.359058      1.839340
  C      -4.439199     -1.311925      2.395742
  F      -4.632953     -0.078709      1.865689
  C      -3.543172     -1.473297      3.492721
  C      -2.772958     -0.416254      4.075306
  O      -2.757681      0.795012      3.581157
  C      -1.905812     -0.647670      5.288223
  C      -3.460414     -2.792423      4.005497
  C      -7.100348     11.102842      2.394520
  C      -5.903056     10.180850      2.437363
  O      -4.911698     10.396425      1.748472
  C      -5.952937      8.996034      3.355293
  C      -7.059980      8.723671      4.179171
  C      -7.051723      7.614977      5.017761
  C      -5.936942      6.783477      5.031880
  F      -5.985270      5.718521      5.871107
  C      -4.808353      7.007427      4.226990
  C      -3.561308      6.153174      4.166268
  O      -2.687280      6.425663      3.353934
  C      -3.416881      4.983229      5.140818
  C      -4.854890      8.133872      3.394519
  C      -8.493804     -4.914833      4.066667
  C      -7.536864     -4.071453      4.882304
  O      -6.804688     -4.589627      5.720999
  C      -7.497489     -2.600415      4.634318
  C      -8.336544     -1.978148      3.693744
  C      -8.258511     -0.606757      3.479970
  C      -7.327855      0.136024      4.197515
  F      -7.302611      1.472120      3.967892
  C      -6.459114     -0.435010      5.142268
  C      -5.385009      0.284297      5.899618
  O      -4.852472     -0.256078      6.869025
  C      -4.937445      1.665554      5.405590
  C      -6.581546     -1.819085      5.345080
  H      -4.444908     -7.300985      4.028737
  H      -5.774749     -6.226350      3.496148
  H      -4.408411     -6.535606      2.406887
  H      -5.564130     -4.472812      1.904164
  H      -5.817266     -2.147170      1.003001
  H      -1.294328     -1.564753      5.168283
  H      -2.562946     -0.823104      6.172966
  H      -2.822753     -3.007534      4.862498
  H      -7.299299     11.527589      3.390218
  H      -8.004240     10.554924      2.088022
  H      -6.905162     11.912519      1.683722
  H      -7.933767      9.374985      4.171064
  H      -7.895756      7.378102      5.665848
  H      -3.572563      5.403572      6.159819
  H      -4.271776      4.308549      4.976920
  H      -3.993651      8.335595      2.755944
  H      -9.532737     -4.580937      4.207833
  H      -8.403698     -5.961892      4.374468
  H      -8.267218     -4.826335      2.992953
  H      -9.058217     -2.560340      3.120866
  H      -8.905630     -0.097885      2.765364
  H      -5.740121      2.383447      5.682782
  H      -4.924832      1.640788      4.306309
  H      -5.920793     -2.295776      6.069298
  N      -0.602655      2.779588      3.620764
  N      -0.364826      3.783132      2.830996
  H      -1.015548      4.583118      2.838379
  H       0.364972      3.714703      2.124139
90
Coordinates from ORCA-job orca E -6562.230853192012
  N      -1.081328      0.530306      5.489278
  Mo     -1.928119      2.215159      4.832646
  N      -3.660578      2.064151      5.902467
  C      -3.598254      2.552810      7.269189
  C      -2.207415      2.265980      7.817101
  N      -1.139647      2.737199      6.872070
  C       0.105747      1.939909      7.038249
  C      -0.172286      0.496108      6.610151
  C      -0.914459      4.214540      7.025681
  C      -1.032999      4.878331      5.655671
  N      -2.181697      4.282848      4.977027
  H       0.791517      0.013593      6.353449
  H      -0.594846     -0.093473      7.448756
  H       0.858862      2.393320      6.380212
  H       0.464335      1.987799      8.081487
  H      -1.137202      5.971795      5.770261
  H      -0.117029      4.698466      5.074463
  H      -1.698914      4.599090      7.693301
  H       0.058746      4.398249      7.509135
  H      -4.322576      2.019593      7.907818
  H      -3.848574      3.633409      7.346408
  H      -2.104190      1.180280      7.921517
  H      -2.048096      2.729563      8.805726
  C      -4.675781     -6.397720      3.459017
  C      -3.925122     -5.220061      4.040984
  O      -3.132584     -5.378606      4.965544
  C      -4.154526     -3.865547      3.446823
  C      -5.016034     -3.650317      2.354806
  C      -5.168061     -2.357241      1.843623
  C      -4.460655     -1.307099      2.399356
  F      -4.661700     -0.073132      1.874868
  C      -3.557597     -1.466660      3.491363
  C      -2.787296     -0.411714      4.075301
  O      -2.780244      0.804806      3.593935
  C      -1.905985     -0.650643      5.276703
  C      -3.464379     -2.787362      4.000184
  C      -7.077535     11.104664      2.370031
  C      -5.885885     10.174951      2.408775
  O      -4.906806     10.368991      1.696400
  C      -5.932195      9.000818      3.340299
  C      -7.028365      8.749799      4.185073
  C      -7.020107      7.651098      5.036359
  C      -5.914305      6.808237      5.042311
  F      -5.960330      5.751655      5.891959
  C      -4.796765      7.010073      4.217031
  C      -3.562986      6.138993      4.150903
  O      -2.710443      6.370007      3.303213
  C      -3.407796      4.996282      5.156175
  C      -4.842964      8.126191      3.370210
  C      -8.461195     -4.930733      4.037952
  C      -7.519808     -4.086426      4.870166
  O      -6.796089     -4.605761      5.715927
  C      -7.485361     -2.612895      4.632646
  C      -8.326557     -1.990208      3.695366
  C      -8.258257     -0.616467      3.490936
  C      -7.333206      0.126346      4.214741
  F      -7.318022      1.465331      3.996808
  C      -6.460094     -0.445331      5.155584
  C      -5.391085      0.278409      5.914432
  O      -4.861859     -0.253636      6.889535
  C      -4.953311      1.664567      5.423564
  C      -6.574839     -1.831672      5.350599
  H      -4.414922     -7.301235      4.019889
  H      -5.760826     -6.234480      3.512900
  H      -4.410630     -6.532617      2.399001
  H      -5.566427     -4.474397      1.902444
  H      -5.839700     -2.147242      1.010539
  H      -1.282178     -1.557154      5.136265
  H      -2.547417     -0.846356      6.168114
  H      -2.820562     -3.002358      4.852537
  H      -7.259936     11.544090      3.362576
  H      -7.989621     10.558989      2.084117
  H      -6.887598     11.903340      1.645494
  H      -7.894825      9.411041      4.183490
  H      -7.856650      7.430814      5.699895
  H      -3.547965      5.438265      6.167240
  H      -4.267370      4.319979      5.016794
  H      -3.990232      8.310006      2.715095
  H      -9.504925     -4.609240      4.173415
  H      -8.362435     -5.979336      4.338030
  H      -8.227100     -4.830976      2.966893
  H      -9.043478     -2.572879      3.116993
  H      -8.909108     -0.107521      2.779797
  H      -5.757915      2.376697      5.709879
  H      -4.945153      1.643820      4.324246
  H      -5.911978     -2.306666      6.074068
  N      -0.639793      2.775732      3.603293
  N      -0.479376      3.792868      2.813724
  H      -1.132170      4.589211      2.895660
  H       0.257649      3.791923      2.111760
90
Coordinates from ORCA-job orca E -6562.231175814634
  N      -1.092821      0.537281      5.488111
  Mo     -1.938465      2.216987      4.835575
  N      -3.676936      2.075097      5.900925
  C      -3.610883      2.556799      7.269048
  C      -2.221921      2.261421      7.820556
  N      -1.149912      2.734204      6.879793
  C       0.093751      1.934514      7.045122
  C      -0.190733      0.494673      6.614194
  C      -0.921268      4.211093      7.038442
  C      -1.029826      4.873404      5.666945
  N      -2.182475      4.286401      4.988807
  H       0.769800      0.002673      6.363607
  H      -0.623849     -0.090518      7.450820
  H       0.850190      2.386625      6.389915
  H       0.450839      1.978310      8.089211
  H      -1.122873      5.968354      5.779365
  H      -0.114241      4.682182      5.087395
  H      -1.710885      4.596608      7.699285
  H       0.047553      4.392668      7.531491
  H      -4.339682      2.028937      7.906974
  H      -3.851351      3.638988      7.348991
  H      -2.124899      1.174659      7.921766
  H      -2.062554      2.720382      8.811042
  C      -4.669729     -6.395352      3.445504
  C      -3.912530     -5.219015      4.020024
  O      -3.114215     -5.378034      4.940142
  C      -4.142780     -3.865000      3.426284
  C      -4.999331     -3.651513      2.330362
  C      -5.152396     -2.358173      1.819835
  C      -4.451120     -1.306500      2.380155
  F      -4.651821     -0.072497      1.856759
  C      -3.554762     -1.463831      3.477052
  C      -2.789744     -0.406223      4.066834
  O      -2.783955      0.807877      3.586627
  C      -1.905129     -0.649331      5.266433
  C      -3.459530     -2.784717      3.985135
  C      -7.036194     11.132401      2.368537
  C      -5.854365     10.189705      2.402082
  O      -4.873287     10.377746      1.691044
  C      -5.909534      9.013964      3.331057
  C      -7.005613      8.772767      4.177914
  C      -7.008444      7.673173      5.027815
  C      -5.911079      6.818958      5.031032
  F      -5.969788      5.761102      5.876598
  C      -4.792466      7.010738      4.203089
  C      -3.570441      6.127917      4.136606
  O      -2.728659      6.334681      3.270225
  C      -3.404497      5.006779      5.163610
  C      -4.829128      8.127647      3.356342
  C      -8.445168     -4.957190      4.067735
  C      -7.500237     -4.106752      4.889967
  O      -6.764985     -4.621246      5.728719
  C      -7.477469     -2.632495      4.650460
  C      -8.331969     -2.016857      3.720985
  C      -8.273931     -0.642425      3.515572
  C      -7.346355      0.106306      4.230082
  F      -7.344740      1.445783      4.010118
  C      -6.460195     -0.458351      5.162699
  C      -5.391992      0.274124      5.913973
  O      -4.852301     -0.254131      6.885561
  C      -4.966039      1.665618      5.423330
  C      -6.565157     -1.845314      5.359502
  H      -4.397743     -7.299635      3.999906
  H      -5.754378     -6.235223      3.518209
  H      -4.422316     -6.527337      2.380935
  H      -5.545626     -4.476853      1.875299
  H      -5.820179     -2.149613      0.983303
  H      -1.273653     -1.548814      5.112769
  H      -2.539647     -0.861383      6.157997
  H      -2.820812     -2.998353      4.841331
  H      -7.216559     11.567011      3.363603
  H      -7.953523     10.597940      2.077735
  H      -6.837367     11.934095      1.649846
  H      -7.865006      9.443330      4.179144
  H      -7.846706      7.460743      5.691608
  H      -3.537619      5.466480      6.167097
  H      -4.265503      4.327146      5.041279
  H      -3.976405      8.303019      2.699065
  H      -9.490056     -4.646862      4.219419
  H      -8.330840     -6.005201      4.364715
  H      -8.228868     -4.852926      2.993517
  H      -9.050436     -2.604527      3.149829
  H      -8.935427     -0.138185      2.811005
  H      -5.774224      2.369955      5.717946
  H      -4.963676      1.652216      4.323906
  H      -5.894137     -2.314262      6.079456
  N      -0.669523      2.783066      3.582569
  N      -0.565162      3.812486      2.800204
  H      -1.234512      4.591181      2.924319
  H       0.186650      3.871758      2.116526
90
Coordinates from ORCA-job orca E -6562.231361829115
  N      -1.104549      0.547507      5.494664
  Mo     -1.946000      2.219938      4.831804
  N      -3.695253      2.097850      5.879957
  C      -3.635473      2.573781      7.249783
  C      -2.253292      2.267800      7.814578
  N      -1.169685      2.737668      6.884100
  C       0.072020      1.937754      7.062152
  C      -0.211004      0.500282      6.627687
  C      -0.937544      4.214697      7.046580
  C      -1.033840      4.873152      5.672314
  N      -2.187335      4.290785      4.994743
  H       0.747131      0.000661      6.384576
  H      -0.654573     -0.080418      7.461983
  H       0.836402      2.390850      6.416831
  H       0.418404      1.980835      8.109898
  H      -1.117759      5.969464      5.779721
  H      -0.117606      4.670984      5.096865
  H      -1.733236      4.601100      7.699433
  H       0.025782      4.392601      7.551240
  H      -4.373356      2.051675      7.881469
  H      -3.864167      3.657894      7.330730
  H      -2.165894      1.180398      7.914809
  H      -2.097234      2.723351      8.806901
  C      -4.678699     -6.391418      3.443290
  C      -3.897915     -5.222817      4.000159
  O      -3.084539     -5.388199      4.906349
  C      -4.127911     -3.868019      3.410157
  C      -4.996454     -3.651034      2.324343
  C      -5.151838     -2.355991      1.818723
  C      -4.443778     -1.306936      2.374513
  F      -4.648286     -0.071055      1.856773
  C      -3.538682     -1.467298      3.462976
  C      -2.775114     -0.409720      4.056263
  O      -2.777065      0.804445      3.583346
  C      -1.889016     -0.654293      5.255065
  C      -3.437866     -2.790195      3.964979
  C      -7.002851     11.170145      2.395430
  C      -5.832165     10.213322      2.418021
  O      -4.853471     10.393440      1.701623
  C      -5.895224      9.033066      3.340291
  C      -6.987416      8.801247      4.193796
  C      -7.000155      7.697167      5.037845
  C      -5.914005      6.828142      5.028919
  F      -5.982458      5.766574      5.867442
  C      -4.798343      7.010686      4.193066
  C      -3.591092      6.114256      4.116136
  O      -2.770337      6.292222      3.221870
  C      -3.407347      5.015339      5.163458
  C      -4.826434      8.132184      3.352202
  C      -8.438633     -4.985445      4.115116
  C      -7.486598     -4.126824      4.921215
  O      -6.748725     -4.631923      5.762987
  C      -7.464796     -2.654988      4.661966
  C      -8.322189     -2.052551      3.726290
  C      -8.265373     -0.680267      3.505344
  C      -7.337806      0.077389      4.210485
  F      -7.338260      1.414377      3.971066
  C      -6.450690     -0.473648      5.149514
  C      -5.387822      0.272610      5.893987
  O      -4.847824     -0.243166      6.872480
  C      -4.975539      1.667240      5.398655
  C      -6.552597     -1.858754      5.360806
  H      -4.394801     -7.299379      3.985641
  H      -5.759868     -6.224579      3.551541
  H      -4.468599     -6.521930      2.370752
  H      -5.549534     -4.474271      1.874118
  H      -5.827884     -2.145013      0.989477
  H      -1.238934     -1.538132      5.089195
  H      -2.520034     -0.892110      6.141723
  H      -2.791406     -3.004897      4.814923
  H      -7.174860     11.601959      3.393139
  H      -7.927832     10.648208      2.106057
  H      -6.797558     11.973272      1.680271
  H      -7.837566      9.483429      4.205190
  H      -7.837403      7.492782      5.705194
  H      -3.533600      5.493788      6.158759
  H      -4.266653      4.329850      5.058966
  H      -3.977257      8.299842      2.688571
  H      -9.482269     -4.674406      4.273366
  H      -8.320571     -6.029803      4.423456
  H      -8.233657     -4.893038      3.037818
  H      -9.040761     -2.648589      3.164381
  H      -8.928107     -0.184858      2.795819
  H      -5.792707      2.363467      5.688209
  H      -4.971357      1.652752      4.299196
  H      -5.881646     -2.318380      6.086790
  N      -0.680584      2.783025      3.567527
  N      -0.585830      3.794420      2.759551
  H      -1.220449      4.598503      2.906701
  H       0.187340      3.859493      2.099615
90
Coordinates from ORCA-job orca E -6562.231526584477
  N      -1.104789      0.547052      5.490056
  Mo     -1.954260      2.218490      4.831106
  N      -3.699101      2.102958      5.882494
  C      -3.639445      2.577528      7.252625
  C      -2.259502      2.264935      7.815979
  N      -1.175625      2.734970      6.886083
  C       0.067034      1.935688      7.064109
  C      -0.212924      0.498097      6.624602
  C      -0.943617      4.211718      7.051553
  C      -1.041059      4.870697      5.677550
  N      -2.195643      4.290194      5.002332
  H       0.744733     -0.002154      6.381663
  H      -0.657619     -0.082301      7.458748
  H       0.831616      2.393031      6.421742
  H       0.412695      1.976371      8.112203
  H      -1.122151      5.967356      5.783699
  H      -0.126400      4.665329      5.100478
  H      -1.738970      4.597137      7.705714
  H       0.019754      4.387529      7.556986
  H      -4.379078      2.056858      7.883175
  H      -3.862482      3.662602      7.336097
  H      -2.175462      1.177096      7.912468
  H      -2.100363      2.716249      8.810013
  C      -4.669934     -6.397217      3.421706
  C      -3.896851     -5.227736      3.989081
  O      -3.090103     -5.393736      4.901169
  C      -4.126570     -3.871894      3.401266
  C      -4.995477     -3.654550      2.315665
  C      -5.152953     -2.358441      1.812827
  C      -4.446127     -1.309572      2.370677
  F      -4.652913     -0.074058      1.852121
  C      -3.540473     -1.470446      3.458766
  C      -2.778917     -0.411015      4.052639
  O      -2.783568      0.802984      3.579188
  C      -1.892055     -0.654843      5.250255
  C      -3.437352     -2.794074      3.957467
  C      -6.966983     11.192027      2.388319
  C      -5.803666     10.226533      2.414340
  O      -4.820467     10.400883      1.702218
  C      -5.879976      9.043472      3.332540
  C      -6.977150      8.816728      4.181191
  C      -7.000346      7.709641      5.021814
  C      -5.919793      6.832763      5.014379
  F      -5.997478      5.770229      5.850603
  C      -4.800410      7.010164      4.182198
  C      -3.598820      6.105826      4.106758
  O      -2.781873      6.271736      3.206771
  C      -3.415340      5.015665      5.163360
  C      -4.818108      8.134824      3.345838
  C      -8.425206     -4.999422      4.132310
  C      -7.463311     -4.139498      4.926209
  O      -6.708983     -4.644363      5.753185
  C      -7.453698     -2.666827      4.671777
  C      -8.325272     -2.064777      3.747793
  C      -8.277807     -0.691364      3.532331
  C      -7.346719      0.068803      4.231076
  F      -7.356606      1.406217      3.997105
  C      -6.447973     -0.481142      5.158983
  C      -5.381634      0.267871      5.897448
  O      -4.830006     -0.252354      6.867557
  C      -4.978293      1.665404      5.403230
  C      -6.538848     -1.867774      5.364114
  H      -4.387890     -7.306757      3.962707
  H      -5.752597     -6.233123      3.522432
  H      -4.453599     -6.524218      2.349835
  H      -5.547539     -4.477823      1.864032
  H      -5.829373     -2.146793      0.983798
  H      -1.245246     -1.540995      5.085674
  H      -2.525749     -0.890552      6.136074
  H      -2.789106     -3.008744      4.806641
  H      -7.141961     11.622756      3.386185
  H      -7.894309     10.677710      2.091984
  H      -6.751130     11.995452      1.676334
  H      -7.822727      9.504994      4.191599
  H      -7.841628      7.509187      5.685613
  H      -3.542203      5.504748      6.154174
  H      -4.274309      4.329453      5.065612
  H      -3.965630      8.298849      2.685166
  H      -9.467428     -4.694151      4.311405
  H      -8.297348     -6.045069      4.432740
  H      -8.240722     -4.899815      3.051708
  H      -9.046872     -2.663119      3.191754
  H      -8.950373     -0.195896      2.831760
  H      -5.800086      2.357043      5.691777
  H      -4.976289      1.652216      4.303601
  H      -5.857111     -2.328725      6.079408
  N      -0.698763      2.798468      3.564335
  N      -0.641921      3.823062      2.768353
  H      -1.288015      4.612538      2.945892
  H       0.142875      3.930538      2.127371
90
Coordinates from ORCA-job orca E -6562.231571749008
  N      -1.114846      0.544685      5.490988
  Mo     -1.957488      2.218722      4.822352
  N      -3.705585      2.119119      5.863331
  C      -3.653355      2.592906      7.234523
  C      -2.279080      2.272142      7.804953
  N      -1.187449      2.736458      6.881267
  C       0.051059      1.932821      7.071159
  C      -0.230578      0.494774      6.631639
  C      -0.949516      4.212630      7.046680
  C      -1.051513      4.873626      5.674042
  N      -2.206433      4.293785      5.001801
  H       0.725222     -0.011738      6.395300
  H      -0.683734     -0.079899      7.465489
  H       0.821963      2.388491      6.434976
  H       0.388693      1.974888      8.121628
  H      -1.131855      5.970262      5.780987
  H      -0.138584      4.668406      5.094280
  H      -1.739159      4.599939      7.706742
  H       0.017565      4.382140      7.546966
  H      -4.399206      2.073692      7.858545
  H      -3.870711      3.679024      7.319227
  H      -2.200723      1.183697      7.900291
  H      -2.121081      2.721461      8.800432
  C      -4.667330     -6.401798      3.397738
  C      -3.900021     -5.232155      3.974120
  O      -3.099482     -5.399991      4.890943
  C      -4.128051     -3.874767      3.388821
  C      -4.999320     -3.654761      2.305384
  C      -5.157326     -2.357676      1.805312
  C      -4.448180     -1.310381      2.363480
  F      -4.656181     -0.074380      1.845902
  C      -3.541319     -1.473834      3.450143
  C      -2.780416     -0.415272      4.045882
  O      -2.778961      0.799110      3.570702
  C      -1.902212     -0.657219      5.248906
  C      -3.437113     -2.798457      3.945321
  C      -6.940083     11.230008      2.413556
  C      -5.776298     10.265733      2.447424
  O      -4.777990     10.454821      1.760115
  C      -5.869147      9.067582      3.344155
  C      -6.982682      8.824362      4.166944
  C      -7.019359      7.702304      4.987461
  C      -5.936692      6.827691      4.986348
  F      -6.026901      5.750431      5.802653
  C      -4.802717      7.021046      4.178644
  C      -3.598135      6.118115      4.106915
  O      -2.772125      6.295126      3.218119
  C      -3.425285      5.020117      5.157272
  C      -4.806651      8.160192      3.362714
  C      -8.415884     -5.022995      4.190664
  C      -7.439609     -4.155103      4.958479
  O      -6.665360     -4.652643      5.770838
  C      -7.440205     -2.684342      4.694543
  C      -8.322171     -2.092423      3.773136
  C      -8.280653     -0.720964      3.546305
  C      -7.346579      0.047959      4.231847
  F      -7.361178      1.382664      3.986065
  C      -6.440307     -0.491058      5.158875
  C      -5.373359      0.267176      5.887593
  O      -4.813787     -0.248047      6.856530
  C      -4.978099      1.661872      5.383734
  C      -6.523777     -1.876566      5.374103
  H      -4.380694     -7.314412      3.931067
  H      -5.750427     -6.242951      3.502527
  H      -4.455922     -6.520305      2.323976
  H      -5.553236     -4.476658      1.853595
  H      -5.835719     -2.144238      0.978350
  H      -1.255933     -1.545053      5.093202
  H      -2.545815     -0.889124      6.129168
  H      -2.785586     -3.013672      4.792143
  H      -7.135737     11.645626      3.414046
  H      -7.860726     10.719479      2.091018
  H      -6.710514     12.044219      1.718192
  H      -7.829974      9.510626      4.172619
  H      -7.873200      7.488808      5.630965
  H      -3.559265      5.506604      6.149377
  H      -4.284071      4.335796      5.050986
  H      -3.942221      8.337019      2.720937
  H      -9.454599     -4.717750      4.389678
  H      -8.280671     -6.066546      4.495055
  H      -8.254567     -4.930101      3.105637
  H      -9.045783     -2.698780      3.228461
  H      -8.959079     -0.232495      2.846360
  H      -5.808602      2.348621      5.659565
  H      -4.971664      1.639967      4.284163
  H      -5.835009     -2.332050      6.086160
  N      -0.699762      2.805716      3.572621
  N      -0.607199      3.819005      2.761473
  H      -1.260395      4.613149      2.886165
  H       0.205931      3.911323      2.152928
90
Coordinates from ORCA-job orca E -6562.231655257486
  N      -1.119092      0.548432      5.479273
  Mo     -1.975953      2.221774      4.822258
  N      -3.717793      2.113728      5.866951
  C      -3.662554      2.584843      7.239981
  C      -2.285889      2.261572      7.804531
  N      -1.198185      2.733260      6.881117
  C       0.043084      1.933848      7.064904
  C      -0.233257      0.497044      6.618695
  C      -0.964055      4.208512      7.052529
  C      -1.071427      4.876107      5.684034
  N      -2.225687      4.297143      5.011033
  H       0.724545     -0.003162      6.377825
  H      -0.683253     -0.084993      7.448954
  H       0.810301      2.396250      6.429142
  H       0.382729      1.971786      8.114701
  H      -1.154348      5.972117      5.795678
  H      -0.159027      4.675830      5.101856
  H      -1.752596      4.591580      7.716232
  H       0.004378      4.377592      7.550222
  H      -4.407082      2.062485      7.862969
  H      -3.880345      3.670553      7.328560
  H      -2.205094      1.172321      7.890700
  H      -2.125910      2.703958      8.803003
  C      -4.641698     -6.410753      3.380997
  C      -3.876113     -5.238341      3.954226
  O      -3.064732     -5.404839      4.860985
  C      -4.121297     -3.879200      3.379335
  C      -5.007701     -3.658268      2.308477
  C      -5.179864     -2.360010      1.816993
  C      -4.470211     -1.311215      2.372075
  F      -4.693184     -0.073585      1.864800
  C      -3.549306     -1.475439      3.446701
  C      -2.790092     -0.415392      4.040162
  O      -2.800096      0.802821      3.572538
  C      -1.903119     -0.655952      5.235545
  C      -3.430614     -2.801805      3.933060
  C      -6.883009     11.269192      2.405539
  C      -5.732663     10.289333      2.438996
  O      -4.727206     10.470406      1.760193
  C      -5.843219      9.092054      3.334405
  C      -6.962900      8.860649      4.152770
  C      -7.014554      7.737876      4.971305
  C      -5.941907      6.851826      4.973660
  F      -6.045962      5.773529      5.787943
  C      -4.803845      7.032534      4.170029
  C      -3.609786      6.113907      4.099454
  O      -2.784266      6.275836      3.207762
  C      -3.444012      5.024686      5.160900
  C      -4.791803      8.172317      3.355363
  C      -8.397668     -5.049807      4.207404
  C      -7.424984     -4.176986      4.973555
  O      -6.647338     -4.670554      5.784883
  C      -7.431672     -2.707011      4.709295
  C      -8.315155     -2.119466      3.786734
  C      -8.278993     -0.748751      3.557205
  C      -7.348321      0.025025      4.241495
  F      -7.365951      1.358891      3.993464
  C      -6.440109     -0.509536      5.169813
  C      -5.375420      0.253069      5.896849
  O      -4.810363     -0.259535      6.863813
  C      -4.989853      1.648964      5.392645
  C      -6.518706     -1.894827      5.387899
  H      -4.344541     -7.323815      3.907309
  H      -5.724090     -6.258493      3.497555
  H      -4.440271     -6.523048      2.304834
  H      -5.562083     -4.480920      1.859030
  H      -5.869758     -2.146311      0.999981
  H      -1.252833     -1.539719      5.074982
  H      -2.540989     -0.891928      6.119014
  H      -2.767369     -3.017557      4.770341
  H      -7.076219     11.682809      3.407106
  H      -7.808865     10.772369      2.077509
  H      -6.640077     12.083026      1.714475
  H      -7.802395      9.555979      4.156119
  H      -7.873057      7.532742      5.611071
  H      -3.577310      5.519545      6.148765
  H      -4.304271      4.341749      5.059608
  H      -3.923596      8.339770      2.716357
  H      -9.437143     -4.749115      4.408624
  H      -8.257821     -6.092887      4.510567
  H      -8.238214     -4.955406      3.122412
  H      -9.035971     -2.729482      3.242843
  H      -8.958299     -0.264056      2.855794
  H      -5.823459      2.330918      5.670132
  H      -4.986584      1.625566      4.293088
  H      -5.828445     -2.347448      6.100011
  N      -0.731413      2.819771      3.560941
  N      -0.680065      3.841095      2.757350
  H      -1.316930      4.637453      2.941850
  H       0.138500      3.968499      2.163632
90
Coordinates from ORCA-job orca E -6562.231677449230
  N      -1.120102      0.546154      5.484017
  Mo     -1.971926      2.220884      4.823641
  N      -3.716922      2.115511      5.863604
  C      -3.662680      2.589662      7.235847
  C      -2.287386      2.265197      7.804429
  N      -1.196347      2.733067      6.882670
  C       0.042387      1.930403      7.069240
  C      -0.237473      0.494164      6.625518
  C      -0.958450      4.207881      7.052136
  C      -1.064059      4.875130      5.683039
  N      -2.218923      4.297189      5.009518
  H       0.720427     -0.007984      6.388244
  H      -0.690715     -0.086163      7.455204
  H       0.812057      2.388410      6.433360
  H       0.380453      1.968863      8.119616
  H      -1.146475      5.971064      5.795393
  H      -0.150896      4.674729      5.101630
  H      -1.745923      4.594133      7.715245
  H       0.010567      4.376120      7.548988
  H      -4.409887      2.070959      7.858674
  H      -3.878752      3.675851      7.320492
  H      -2.209569      1.175994      7.892999
  H      -2.129682      2.709432      8.802273
  C      -4.646934     -6.408058      3.374937
  C      -3.882645     -5.236799      3.951710
  O      -3.072240     -5.404661      4.859169
  C      -4.126003     -3.876906      3.377839
  C      -5.008123     -3.654110      2.304085
  C      -5.176513     -2.355654      1.812139
  C      -4.466899     -1.308168      2.369799
  F      -4.685216     -0.069822      1.862902
  C      -3.550057     -1.474175      3.447388
  C      -2.790316     -0.414882      4.042343
  O      -2.796789      0.802098      3.572776
  C      -1.905556     -0.656200      5.239572
  C      -3.435634     -2.800651      3.934621
  C      -6.900637     11.254788      2.398364
  C      -5.741437     10.285446      2.440764
  O      -4.743096     10.462016      1.750630
  C      -5.846480      9.089309      3.338385
  C      -6.963233      8.856843      4.160359
  C      -7.009421      7.736408      4.982134
  C      -5.934860      6.852978      4.983267
  F      -6.033969      5.777204      5.801416
  C      -4.799271      7.034465      4.176171
  C      -3.602998      6.118857      4.104545
  O      -2.781367      6.279930      3.209015
  C      -3.436348      5.026022      5.162336
  C      -4.792504      8.172188      3.358142
  C      -8.396519     -5.048262      4.210364
  C      -7.423943     -4.173799      4.974375
  O      -6.646367     -4.665499      5.787265
  C      -7.431902     -2.703922      4.708919
  C      -8.315565     -2.117861      3.785967
  C      -8.280344     -0.747272      3.555066
  C      -7.350171      0.027968      4.238274
  F      -7.369550      1.361687      3.989166
  C      -6.440999     -0.505359      5.166701
  C      -5.375196      0.256901      5.892403
  O      -4.811665     -0.253873      6.861141
  C      -4.988779      1.652782      5.387871
  C      -6.519260     -1.890400      5.386421
  H      -4.348673     -7.322274      3.898615
  H      -5.729687     -6.257776      3.492096
  H      -4.444490     -6.516314      2.298593
  H      -5.562439     -4.475799      1.852609
  H      -5.863214     -2.140491      0.992855
  H      -1.255808     -1.540748      5.079442
  H      -2.543761     -0.892082      6.122567
  H      -2.776237     -3.018276      4.774219
  H      -7.094838     11.677532      3.395858
  H      -7.822858     10.746153      2.078140
  H      -6.666672     12.063060      1.697802
  H      -7.804440      9.550052      4.164502
  H      -7.865234      7.530850      5.625354
  H      -3.568382      5.518057      6.151644
  H      -4.297685      4.344025      5.060750
  H      -3.926417      8.340363      2.716535
  H      -9.435994     -4.747095      4.410734
  H      -8.256213     -6.090633      4.515712
  H      -8.236718     -4.956354      3.125247
  H      -9.036201     -2.728489      3.242532
  H      -8.960210     -0.263833      2.853351
  H      -5.821631      2.335461      5.665369
  H      -4.984213      1.629343      4.288376
  H      -5.828748     -2.341315      6.099410
  N      -0.724477      2.813904      3.561712
  N      -0.666171      3.833122      2.756231
  H      -1.299926      4.632238      2.939389
  H       0.152651      3.954441      2.161555
90
Coordinates from ORCA-job orca E -6562.231693618365
  N      -1.122635      0.544558      5.488610
  Mo     -1.971169      2.218955      4.821906
  N      -3.718595      2.117892      5.856828
  C      -3.666586      2.596509      7.227886
  C      -2.293006      2.272017      7.800977
  N      -1.198672      2.735611      6.880480
  C       0.038310      1.931268      7.072108
  C      -0.243023      0.494430      6.632577
  C      -0.958569      4.210804      7.046176
  C      -1.063351      4.875231      5.675422
  N      -2.217947      4.296167      5.002093
  H       0.715114     -0.009332      6.399246
  H      -0.699078     -0.083413      7.462383
  H       0.810282      2.385260      6.436177
  H       0.374074      1.972638      8.123206
  H      -1.146136      5.971314      5.786100
  H      -0.149293      4.674202      5.095339
  H      -1.744899      4.599708      7.709097
  H       0.011227      4.379107      7.541488
  H      -4.416350      2.081386      7.850453
  H      -3.881067      3.683168      7.307471
  H      -2.217621      1.183002      7.892835
  H      -2.137107      2.718949      8.797777
  C      -4.650433     -6.409377      3.377145
  C      -3.884486     -5.239048      3.953145
  O      -3.074465     -5.407331      4.861053
  C      -4.126605     -3.879207      3.378821
  C      -5.007135     -3.656117      2.303833
  C      -5.174177     -2.357708      1.811422
  C      -4.464724     -1.310513      2.369723
  F      -4.681737     -0.071826      1.863393
  C      -3.549072     -1.476739      3.448364
  C      -2.789368     -0.418032      4.044121
  O      -2.794306      0.798535      3.573400
  C      -1.906961     -0.658172      5.243571
  C      -3.436195     -2.803301      3.936353
  C      -6.900179     11.264373      2.415415
  C      -5.743127     10.291837      2.449266
  O      -4.741906     10.475199      1.765160
  C      -5.847091      9.092907      3.343274
  C      -6.963285      8.857892      4.165161
  C      -7.009273      7.735118      4.983622
  C      -5.934797      6.851690      4.981449
  F      -6.033412      5.774043      5.797101
  C      -4.799362      7.035612      4.174544
  C      -3.603186      6.120246      4.099599
  O      -2.780649      6.286216      3.205865
  C      -3.435424      5.025194      5.155046
  C      -4.792652      8.175904      3.359840
  C      -8.392122     -5.052839      4.217326
  C      -7.422150     -4.175353      4.980992
  O      -6.646996     -4.663925      5.798323
  C      -7.429536     -2.706101      4.710232
  C      -8.310946     -2.123890      3.782988
  C      -8.275611     -0.753988      3.547093
  C      -7.347470      0.023974      4.229850
  F      -7.366468      1.356871      3.975352
  C      -6.440546     -0.505487      5.162775
  C      -5.377168      0.259754      5.888596
  O      -4.816963     -0.246468      6.861675
  C      -4.989591      1.653935      5.379939
  C      -6.518743     -1.889870      5.387124
  H      -4.351756     -7.323914      3.900123
  H      -5.733152     -6.258670      3.496136
  H      -4.449579     -6.517059      2.300418
  H      -5.561563     -4.477614      1.851937
  H      -5.860055     -2.142217      0.991462
  H      -1.255970     -1.542372      5.085719
  H      -2.546196     -0.893725      6.125804
  H      -2.778290     -3.021305      4.776992
  H      -7.092248     11.679963      3.416415
  H      -7.823955     10.760241      2.092528
  H      -6.665254     12.077496      1.720797
  H      -7.804479      9.551169      4.171885
  H      -7.864743      7.527757      5.626793
  H      -3.568285      5.515780      6.144954
  H      -4.296658      4.343088      5.052023
  H      -3.926901      8.346157      2.718339
  H      -9.432324     -4.750669      4.412470
  H      -8.252688     -6.093825      4.527870
  H      -8.228311     -4.965950      3.132363
  H      -9.030080     -2.736710      3.239935
  H      -8.953835     -0.273330      2.841834
  H      -5.822316      2.338175      5.653917
  H      -4.982361      1.626878      4.280571
  H      -5.830221     -2.337707      6.104034
  N      -0.721615      2.807161      3.561972
  N      -0.657480      3.822783      2.751719
  H      -1.292889      4.622771      2.924811
  H       0.159845      3.937529      2.153311
90
Coordinates from ORCA-job orca E -6562.231702044794
  N      -1.127013      0.544334      5.487915
  Mo     -1.976863      2.218917      4.821299
  N      -3.723957      2.120361      5.854309
  C      -3.671833      2.598039      7.225998
  C      -2.298996      2.271695      7.799305
  N      -1.203860      2.735464      6.879988
  C       0.032605      1.930656      7.072489
  C      -0.248940      0.493909      6.633049
  C      -0.963066      4.210415      7.046173
  C      -1.069681      4.875871      5.675939
  N      -2.224116      4.297006      5.002650
  H       0.709383     -0.010130      6.400973
  H      -0.706366     -0.083895      7.462150
  H       0.805107      2.384054      6.436783
  H       0.367730      1.972171      8.123760
  H      -1.153084      5.971804      5.787760
  H      -0.155808      4.676028      5.095191
  H      -1.747626      4.599349      7.711160
  H       0.008052      4.377973      7.539046
  H      -4.422571      2.083357      7.847659
  H      -3.884882      3.684752      7.305920
  H      -2.224785      1.182421      7.889425
  H      -2.143325      2.717179      8.796808
  C      -4.646427     -6.411560      3.367966
  C      -3.880883     -5.241315      3.944804
  O      -3.069515     -5.410054      4.851393
  C      -4.125365     -3.880883      3.372857
  C      -5.008389     -3.657055      2.300111
  C      -5.178296     -2.358121      1.810196
  C      -4.469165     -1.310911      2.368882
  F      -4.689206     -0.071640      1.865449
  C      -3.551229     -1.477826      3.445523
  C      -2.792368     -0.419014      4.042192
  O      -2.798617      0.798034      3.572797
  C      -1.909354     -0.659322      5.240848
  C      -3.435218     -2.805007      3.930882
  C      -6.882251     11.281334      2.419267
  C      -5.727139     10.306515      2.455131
  O      -4.721846     10.491040      1.777323
  C      -5.837988      9.104194      3.343738
  C      -6.958287      8.868611      4.159879
  C      -7.010404      7.742699      4.973688
  C      -5.937912      6.856881      4.972749
  F      -6.042619      5.775886      5.783299
  C      -4.798847      7.041029      4.171128
  C      -3.604820      6.122632      4.097129
  O      -2.780019      6.287821      3.205408
  C      -3.441044      5.027272      5.152761
  C      -4.785898      8.184479      3.360962
  C      -8.383087     -5.064960      4.233080
  C      -7.413074     -4.184105      4.992697
  O      -6.634403     -4.669592      5.808511
  C      -7.423766     -2.715432      4.718898
  C      -8.307336     -2.136939      3.791352
  C      -8.274668     -0.767483      3.552261
  C      -7.347308      0.013715      4.232319
  F      -7.368259      1.345914      3.974452
  C      -6.438874     -0.511840      5.165963
  C      -5.377096      0.257115      5.889844
  O      -4.813767     -0.246745      6.862478
  C      -4.994033      1.651784      5.379155
  C      -6.513938     -1.895956      5.393099
  H      -4.344622     -7.326962      3.887641
  H      -5.729031     -6.263096      3.490766
  H      -4.448946     -6.515956      2.290327
  H      -5.562978     -4.478438      1.848236
  H      -5.866343     -2.142101      0.992197
  H      -1.256754     -1.542108      5.081546
  H      -2.547931     -0.897610      6.122857
  H      -2.775314     -3.023575      4.769882
  H      -7.077698     11.694022      3.420823
  H      -7.805553     10.779941      2.090864
  H      -6.642809     12.096267      1.728328
  H      -7.797883      9.563826      4.165698
  H      -7.869151      7.534733      5.612283
  H      -3.575909      5.518323      6.142230
  H      -4.302744      4.346167      5.047638
  H      -3.917177      8.355175      2.723625
  H      -9.423332     -4.764036      4.429860
  H      -8.241095     -6.105043      4.545461
  H      -8.221776     -4.980123      3.147556
  H      -9.025888     -2.752322      3.250430
  H      -8.954222     -0.289559      2.846420
  H      -5.828341      2.334009      5.653167
  H      -4.987595      1.623627      4.279804
  H      -5.823982     -2.341023      6.110336
  N      -0.730315      2.810481      3.560204
  N      -0.669656      3.826156      2.749229
  H      -1.304914      4.625655      2.926096
  H       0.150799      3.945978      2.155995
90
Coordinates from ORCA-job orca E -6562.231707217585
  N      -1.132145      0.543314      5.489282
  Mo     -1.982297      2.218585      4.821729
  N      -3.730201      2.123892      5.851082
  C      -3.678074      2.602215      7.222977
  C      -2.306482      2.273526      7.797785
  N      -1.209420      2.735785      6.880005
  C       0.025857      1.929701      7.074565
  C      -0.256323      0.492938      6.636004
  C      -0.966739      4.210396      7.045684
  C      -1.074430      4.876377      5.675584
  N      -2.228959      4.297904      5.002444
  H       0.702376     -0.011593      6.406202
  H      -0.715607     -0.084446      7.464425
  H       0.799458      2.381379      6.438979
  H       0.359911      1.971909      8.126127
  H      -1.158268      5.972187      5.788469
  H      -0.160653      4.677439      5.094410
  H      -1.749312      4.600491      7.712317
  H       0.005797      4.376873      7.536061
  H      -4.430432      2.089314      7.844106
  H      -3.889089      3.689340      7.301791
  H      -2.234514      1.184006      7.887180
  H      -2.151576      2.718411      8.795712
  C      -4.641397     -6.414373      3.356683
  C      -3.877718     -5.244101      3.936193
  O      -3.065785     -5.413476      4.842153
  C      -4.124283     -3.882892      3.366928
  C      -5.008798     -3.658148      2.295640
  C      -5.180878     -2.358620      1.808085
  C      -4.472468     -1.311527      2.367875
  F      -4.694538     -0.071673      1.866920
  C      -3.553305     -1.479281      3.443428
  C      -2.795515     -0.420483      4.041611
  O      -2.803048      0.797094      3.573855
  C      -1.912169     -0.661333      5.239585
  C      -3.434768     -2.807122      3.926209
  C      -6.866542     11.295681      2.421115
  C      -5.713405     10.318516      2.458369
  O      -4.705625     10.502569      1.784132
  C      -5.829293      9.114515      3.344133
  C      -6.951597      8.880393      4.157904
  C      -7.008270      7.752891      4.969279
  C      -5.938185      6.864130      4.968212
  F      -6.047346      5.781388      5.775901
  C      -4.797342      7.046752      4.168823
  C      -3.605720      6.125165      4.094940
  O      -2.781150      6.287062      3.202421
  C      -3.445134      5.029542      5.150654
  C      -4.779793      8.191807      3.361046
  C      -8.371484     -5.077079      4.246403
  C      -7.401405     -4.192418      5.001389
  O      -6.617994     -4.674466      5.814720
  C      -7.417977     -2.724021      4.726478
  C      -8.306108     -2.149047      3.801043
  C      -8.278294     -0.779650      3.560621
  C      -7.351318      0.005011      4.237146
  F      -7.377037      1.336917      3.978306
  C      -6.438720     -0.516918      5.168825
  C      -5.377351      0.255476      5.889363
  O      -4.809938     -0.246068      6.860874
  C      -4.999403      1.651292      5.377334
  C      -6.508917     -1.901059      5.397346
  H      -4.337070     -7.330686      3.873302
  H      -5.724214     -6.268848      3.480887
  H      -4.444715     -6.514922      2.278542
  H      -5.563033     -4.479368      1.843054
  H      -5.870084     -2.141920      0.991237
  H      -1.257672     -1.542429      5.078322
  H      -2.549987     -0.903481      6.121136
  H      -2.773471     -3.026601      4.763927
  H      -7.062173     11.708242      3.422716
  H      -7.790448     10.796289      2.091421
  H      -6.624529     12.110520      1.730965
  H      -7.789249      9.577959      4.163705
  H      -7.868671      7.545867      5.605954
  H      -3.581392      5.520655      6.139964
  H      -4.307473      4.349532      5.043689
  H      -3.909596      8.361489      2.725454
  H      -9.411896     -4.778453      4.445721
  H      -8.225594     -6.116271      4.559968
  H      -8.213611     -4.993654      3.160226
  H      -9.024396     -2.766978      3.262668
  H      -8.961294     -0.304405      2.856287
  H      -5.835223      2.331262      5.652029
  H      -4.993718      1.622601      4.278044
  H      -5.815263     -2.343243      6.112807
  N      -0.737759      2.811007      3.559204
  N      -0.680722      3.825406      2.746212
  H      -1.314624      4.625134      2.927632
  H       0.141247      3.948241      2.155782
90
Coordinates from ORCA-job orca E -6562.231709339618
  N      -1.135631      0.542790      5.489835
  Mo     -1.985919      2.218226      4.821534
  N      -3.734394      2.125652      5.848783
  C      -3.682514      2.604726      7.220553
  C      -2.311596      2.275489      7.796408
  N      -1.213550      2.736576      6.879205
  C       0.021133      1.929908      7.075210
  C      -0.261187      0.492896      6.637561
  C      -0.970049      4.211155      7.043902
  C      -1.078222      4.876711      5.673544
  N      -2.232583      4.297864      5.000528
  H       0.697754     -0.011952      6.409354
  H      -0.721527     -0.083957      7.465797
  H       0.795296      2.380439      6.439494
  H       0.354629      1.973027      8.126897
  H      -1.162548      5.972486      5.786419
  H      -0.164400      4.678095      5.092379
  H      -1.751546      4.601957      7.711351
  H       0.003259      4.377375      7.532806
  H      -4.435543      2.092759      7.841613
  H      -3.892826      3.692046      7.298330
  H      -2.240509      1.185927      7.886196
  H      -2.157287      2.720741      8.794278
  C      -4.639087     -6.416005      3.353095
  C      -3.875303     -5.245498      3.932064
  O      -3.062436     -5.414785      4.837188
  C      -4.123479     -3.884123      3.363930
  C      -5.009452     -3.659292      2.293884
  C      -5.183187     -2.359516      1.807503
  C      -4.475010     -1.312255      2.367239
  F      -4.698790     -0.072176      1.867635
  C      -3.554621     -1.480082      3.441720
  C      -2.797438     -0.421178      4.040542
  O      -2.805517      0.796606      3.573483
  C      -1.913643     -0.662638      5.238017
  C      -3.434339     -2.808147      3.923336
  C      -6.856266     11.305859      2.424280
  C      -5.704240     10.327454      2.462876
  O      -4.695761     10.510072      1.789282
  C      -5.823579      9.122084      3.346325
  C      -6.946857      8.889176      4.159037
  C      -7.006691      7.760417      4.968477
  C      -5.938707      6.869075      4.966310
  F      -6.050966      5.785092      5.771896
  C      -4.796980      7.050460      4.167859
  C      -3.607425      6.126425      4.093028
  O      -2.781357      6.288840      3.201920
  C      -3.448672      5.029810      5.147888
  C      -4.776248      8.196920      3.362186
  C      -8.364769     -5.085108      4.254112
  C      -7.395478     -4.198274      5.007545
  O      -6.611116     -4.678233      5.821110
  C      -7.413809     -2.730276      4.730457
  C      -8.302912     -2.157737      3.804434
  C      -8.277024     -0.788549      3.562324
  C      -7.351107     -0.001839      4.237810
  F      -7.378532      1.329765      3.977347
  C      -6.437603     -0.521274      5.169978
  C      -5.378038      0.254031      5.889651
  O      -4.809551     -0.245010      6.861881
  C      -5.003113      1.650355      5.376169
  C      -6.505709     -1.905301      5.400085
  H      -4.333756     -7.332274      3.869187
  H      -5.721865     -6.271265      3.478159
  H      -4.443272     -6.516142      2.274757
  H      -5.563514     -4.480609      1.841304
  H      -5.873494     -2.142755      0.991610
  H      -1.257779     -1.542362      5.074541
  H      -2.550478     -0.908125      6.119324
  H      -2.772047     -3.027811      4.760203
  H      -7.051377     11.719542      3.425527
  H      -7.780791     10.807383      2.094999
  H      -6.613079     12.119856      1.733565
  H      -7.782822      9.588748      4.165601
  H      -7.867878      7.554306      5.604356
  H      -3.586326      5.519809      6.137590
  H      -4.311028      4.350202      5.038668
  H      -3.905280      8.365756      2.727439
  H      -9.405476     -4.786913      4.452383
  H      -8.218005     -6.123536      4.569790
  H      -8.206595     -5.003743      3.167818
  H      -9.020499     -2.777189      3.266892
  H      -8.960852     -0.315157      2.857562
  H      -5.839627      2.329124      5.651442
  H      -4.998098      1.620993      4.276909
  H      -5.811289     -2.345421      6.116058
  N      -0.741744      2.810725      3.558727
  N      -0.684241      3.824855      2.745618
  H      -1.318421      4.624493      2.926550
  H       0.136437      3.946756      2.153254
90
Coordinates from ORCA-job orca E -6562.231710817275
  N      -1.137415      0.542449      5.490723
  Mo     -1.987223      2.218469      4.822850
  N      -3.736223      2.127400      5.849109
  C      -3.684033      2.605980      7.221059
  C      -2.313374      2.275847      7.797054
  N      -1.214861      2.736400      6.880089
  C       0.019381      1.929120      7.076431
  C      -0.263490      0.492206      6.638776
  C      -0.970545      4.210891      7.044810
  C      -1.078505      4.876598      5.674499
  N      -2.233088      4.298178      5.001452
  H       0.695254     -0.013254      6.411129
  H      -0.724444     -0.084223      7.467014
  H       0.793817      2.379228      6.440723
  H       0.352814      1.972291      8.128123
  H      -1.162475      5.972388      5.787524
  H      -0.164821      4.677699      5.093249
  H      -1.751616      4.602027      7.712552
  H       0.003001      4.376479      7.533457
  H      -4.437199      2.094146      7.842077
  H      -3.893857      3.693386      7.299281
  H      -2.242911      1.186211      7.886663
  H      -2.158998      2.720858      8.795040
  C      -4.638688     -6.415408      3.348245
  C      -3.874915     -5.245116      3.927730
  O      -3.061002     -5.415115      4.831774
  C      -4.123811     -3.883317      3.360988
  C      -5.010529     -3.657829      2.291681
  C      -5.184824     -2.357604      1.806555
  C      -4.476562     -1.310677      2.366765
  F      -4.700811     -0.070243      1.868124
  C      -3.555632     -1.479159      3.440637
  C      -2.798556     -0.420576      4.040202
  O      -2.806908      0.797600      3.574276
  C      -1.914087     -0.663368      5.236957
  C      -3.434689     -2.807624      3.920936
  C      -6.854189     11.306546      2.421254
  C      -5.702259     10.328132      2.460977
  O      -4.692944     10.510969      1.788673
  C      -5.822033      9.123179      3.344955
  C      -6.945571      8.890695      4.157401
  C      -7.005807      7.762251      4.967297
  C      -5.937898      6.870743      4.965744
  F      -6.050587      5.786923      5.771424
  C      -4.795817      7.051882      4.167731
  C      -3.606264      6.127966      4.094083
  O      -2.780727      6.288640      3.202081
  C      -3.448841      5.030781      5.148522
  C      -4.774761      8.198006      3.361634
  C      -8.361564     -5.087686      4.257116
  C      -7.391665     -4.200389      5.009336
  O      -6.605840     -4.680004      5.821620
  C      -7.411556     -2.732326      4.732612
  C      -8.302437     -2.160263      3.807959
  C      -8.278206     -0.790937      3.566434
  C      -7.352239     -0.003624      4.241144
  F      -7.381565      1.328121      3.981533
  C      -6.436919     -0.522561      5.171789
  C      -5.377680      0.253885      5.890603
  O      -4.807896     -0.244515      6.862420
  C      -5.004797      1.650975      5.377210
  C      -6.503331     -1.906791      5.401349
  H      -4.333388     -7.331865      3.864011
  H      -5.721520     -6.270845      3.472915
  H      -4.442548     -6.515193      2.269907
  H      -5.564485     -4.478918      1.838567
  H      -5.875543     -2.140324      0.991147
  H      -1.257400     -1.542048      5.071006
  H      -2.549985     -0.911876      6.118072
  H      -2.771796     -3.027902      4.757155
  H      -7.049015     11.721509      3.422049
  H      -7.778899     10.807915      2.092778
  H      -6.610866     12.119730      1.729628
  H      -7.781452      9.590388      4.163427
  H      -7.867223      7.556451      5.602956
  H      -3.587004      5.520003      6.138520
  H      -4.311460      4.351662      5.037961
  H      -3.903498      8.366573      2.727215
  H      -9.402209     -4.789939      4.456323
  H      -8.214007     -6.126003      4.572801
  H      -8.204542     -5.006393      3.170646
  H      -9.020128     -2.780118      3.271026
  H      -8.963535     -0.317985      2.862835
  H      -5.841659      2.328734      5.653723
  H      -5.000742      1.622127      4.277934
  H      -5.807470     -2.346384      6.116249
  N      -0.742827      2.810260      3.559649
  N      -0.684796      3.824215      2.746672
  H      -1.319167      4.623875      2.926803
  H       0.134617      3.944745      2.152287
90
Coordinates from ORCA-job orca E -6562.231712271391
  N      -1.140083      0.542502      5.491823
  Mo     -1.989684      2.218709      4.823970
  N      -3.739486      2.129354      5.849196
  C      -3.687174      2.607827      7.221166
  C      -2.316706      2.276923      7.797505
  N      -1.217706      2.736748      6.880622
  C       0.016326      1.929307      7.077733
  C      -0.266656      0.492399      6.640219
  C      -0.972866      4.211300      7.045127
  C      -1.080103      4.876636      5.674647
  N      -2.234920      4.298388      5.001743
  H       0.691883     -0.013687      6.413196
  H      -0.728139     -0.083344      7.468699
  H       0.791012      2.379359      6.442252
  H       0.349482      1.972740      8.129493
  H      -1.163499      5.972523      5.787196
  H      -0.166506      4.676942      5.093527
  H      -1.754133      4.602779      7.712447
  H       0.000448      4.376426      7.534412
  H      -4.440386      2.096094      7.842235
  H      -3.896637      3.695321      7.299822
  H      -2.246780      1.187259      7.887253
  H      -2.162107      2.721939      8.795477
  C      -4.635976     -6.416181      3.342754
  C      -3.872324     -5.246000      3.922676
  O      -3.057023     -5.416661      4.825343
  C      -4.122803     -3.883739      3.357846
  C      -5.010407     -3.657847      2.289297
  C      -5.185741     -2.357152      1.805642
  C      -4.477886     -1.310358      2.366557
  F      -4.703008     -0.069598      1.868857
  C      -3.556404     -1.479181      3.439859
  C      -2.799938     -0.420628      4.040134
  O      -2.809429      0.798108      3.575626
  C      -1.914430     -0.664305      5.236017
  C      -3.434188     -2.808156      3.918503
  C      -6.847884     11.310831      2.419531
  C      -5.697516     10.330673      2.459330
  O      -4.687941     10.511917      1.786960
  C      -5.818726      9.126312      3.343921
  C      -6.942037      8.896004      4.157296
  C      -7.003577      7.767938      4.967649
  C      -5.937200      6.874545      4.965579
  F      -6.051131      5.791079      5.771466
  C      -4.795383      7.053593      4.166709
  C      -3.607563      6.127711      4.092729
  O      -2.782515      6.286477      3.199860
  C      -3.450418      5.031557      5.148344
  C      -4.773021      8.199407      3.360258
  C      -8.356636     -5.092034      4.260046
  C      -7.385974     -4.203895      5.010480
  O      -6.597172     -4.683080      5.820079
  C      -7.409100     -2.735610      4.735151
  C      -8.303253     -2.164195      3.813212
  C      -8.282055     -0.794628      3.572980
  C      -7.355839     -0.006307      4.246230
  F      -7.388706      1.325684      3.988343
  C      -6.437194     -0.524575      5.173984
  C      -5.377743      0.253253      5.891070
  O      -4.805771     -0.244635      6.861856
  C      -5.007615      1.651272      5.377910
  C      -6.500680     -1.909139      5.402440
  H      -4.331195     -7.332660      3.858781
  H      -5.718943     -6.271468      3.466146
  H      -4.438793     -6.516214      2.264586
  H      -5.563775     -4.478906      1.835407
  H      -5.876896     -2.139549      0.990684
  H      -1.256152     -1.541333      5.067435
  H      -2.549143     -0.916499      6.116926
  H      -2.770396     -3.028860      4.753893
  H      -7.040568     11.727802      3.419934
  H      -7.774003     10.813440      2.093193
  H      -6.603936     12.122553      1.726396
  H      -7.776685      9.597183      4.163770
  H      -7.864885      7.563851      5.604013
  H      -3.588582      5.521084      6.138143
  H      -4.313163      4.352519      5.037750
  H      -3.901891      8.366291      2.725191
  H      -9.397261     -4.795902      4.461753
  H      -8.206977     -6.130357      4.574739
  H      -8.202227     -5.009798      3.173269
  H      -9.021099     -2.784815      3.277377
  H      -8.970072     -0.322323      2.871570
  H      -5.845273      2.327570      5.655493
  H      -5.004552      1.622963      4.278627
  H      -5.802167     -2.348129      6.115138
  N      -0.744721      2.808782      3.560154
  N      -0.687145      3.822084      2.746731
  H      -1.321796      4.621760      2.925774
  H       0.131148      3.941359      2.150557
90
Coordinates from ORCA-job orca E -6562.231713095931
  N      -1.142174      0.542525      5.491895
  Mo     -1.991556      2.219066      4.824748
  N      -3.741527      2.130910      5.849791
  C      -3.689145      2.609096      7.221774
  C      -2.318931      2.277183      7.798180
  N      -1.219644      2.736423      6.881275
  C       0.014119      1.928567      7.078585
  C      -0.269201      0.491911      6.640603
  C      -0.974236      4.210951      7.046021
  C      -1.081033      4.876368      5.675641
  N      -2.236117      4.298521      5.002786
  H       0.689078     -0.014739      6.413801
  H      -0.731287     -0.083582      7.468947
  H       0.789110      2.378732      6.443544
  H       0.346991      1.971643      8.130448
  H      -1.163846      5.972302      5.788001
  H      -0.167538      4.676080      5.094528
  H      -1.755528      4.602552      7.713245
  H      -0.001031      4.375495      7.535713
  H      -4.442644      2.097590      7.842668
  H      -3.897977      3.696669      7.300785
  H      -2.249672      1.187477      7.887804
  H      -2.163903      2.721963      8.796190
  C      -4.635738     -6.415504      3.337735
  C      -3.870847     -5.245778      3.916879
  O      -3.053353     -5.417265      4.817393
  C      -4.122928     -3.883009      3.354060
  C      -5.012050     -3.656359      2.286906
  C      -5.188534     -2.355183      1.804956
  C      -4.480465     -1.308707      2.366200
  F      -4.706931     -0.067442      1.870267
  C      -3.557705     -1.478240      3.438244
  C      -2.801393     -0.419966      4.039048
  O      -2.811451      0.799275      3.575701
  C      -1.914861     -0.664728      5.234001
  C      -3.434240     -2.807755      3.915107
  C      -6.844032     11.312737      2.416701
  C      -5.694111     10.332139      2.457767
  O      -4.683733     10.513014      1.786503
  C      -5.816509      9.128116      3.342596
  C      -6.940364      8.898679      4.155499
  C      -7.002881      7.770896      4.966138
  C      -5.937082      6.876843      4.964850
  F      -6.051997      5.793696      5.771002
  C      -4.794804      7.054958      4.166428
  C      -3.607684      6.128177      4.092989
  O      -2.782793      6.285666      3.199737
  C      -3.451287      5.032326      5.149098
  C      -4.771404      8.200564      3.359703
  C      -8.353345     -5.095517      4.264954
  C      -7.381990     -4.206667      5.013708
  O      -6.591869     -4.685281      5.822329
  C      -7.406338     -2.738460      4.738074
  C      -8.301463     -2.167981      3.816515
  C      -8.281497     -0.798489      3.575916
  C      -7.355616     -0.009248      4.248561
  F      -7.389619      1.322635      3.990280
  C      -6.436079     -0.526536      5.175990
  C      -5.377320      0.252654      5.892585
  O      -4.804493     -0.244419      6.863328
  C      -5.009221      1.651079      5.379194
  C      -6.498205     -1.911131      5.404694
  H      -4.331132     -7.332113      3.853616
  H      -5.718537     -6.270082      3.461685
  H      -4.439320     -6.515882      2.259447
  H      -5.565575     -4.477162      1.832757
  H      -5.880847     -2.137003      0.991144
  H      -1.255400     -1.540440      5.062934
  H      -2.548438     -0.919947      6.114810
  H      -2.769339     -3.029036      4.749459
  H      -7.036648     11.730869      3.416640
  H      -7.770418     10.815630      2.090751
  H      -6.599421     12.123662      1.722867
  H      -7.774590      9.600351      4.161428
  H      -7.864608      7.567541      5.602169
  H      -3.589350      5.522023      6.138777
  H      -4.314275      4.353573      5.038496
  H      -3.899883      8.366728      2.724988
  H      -9.393820     -4.799645      4.467785
  H      -8.203013     -6.133638      4.579964
  H      -8.200280     -5.013733      3.177957
  H      -9.019038     -2.789375      3.281235
  H      -8.970231     -0.326965      2.874696
  H      -5.847568      2.326328      5.657231
  H      -5.006860      1.622796      4.279903
  H      -5.799051     -2.349460      6.117162
  N      -0.746078      2.809016      3.561057
  N      -0.687725      3.823131      2.748883
  H      -1.322530      4.622825      2.927285
  H       0.130127      3.941841      2.151983
90
Coordinates from ORCA-job orca E -6562.231714336926
  N      -1.146569      0.542748      5.492344
  Mo     -1.995265      2.219845      4.825761
  N      -3.745627      2.133510      5.850233
  C      -3.693072      2.611117      7.222397
  C      -2.323306      2.277461      7.799017
  N      -1.223440      2.735986      6.882307
  C       0.009791      1.927365      7.079996
  C      -0.274359      0.491174      6.641513
  C      -0.977058      4.210414      7.047587
  C      -1.083104      4.876187      5.677402
  N      -2.238534      4.299114      5.004335
  H       0.683552     -0.016375      6.415104
  H      -0.737501     -0.084026      7.469514
  H       0.785393      2.377410      6.445623
  H       0.342078      1.969820      8.132075
  H      -1.165140      5.972159      5.789782
  H      -0.169664      4.675306      5.096379
  H      -1.758374      4.602281      7.714641
  H      -0.003998      4.374062      7.537847
  H      -4.447273      2.100154      7.842869
  H      -3.900713      3.698824      7.301861
  H      -2.255342      1.187628      7.888095
  H      -2.167733      2.721654      8.797198
  C      -4.634577     -6.414760      3.328356
  C      -3.868244     -5.245710      3.906899
  O      -3.047357     -5.418440      4.804092
  C      -4.123133     -3.882063      3.347499
  C      -5.014374     -3.654233      2.282348
  C      -5.192946     -2.352319      1.803217
  C      -4.485034     -1.306234      2.365383
  F      -4.713790     -0.064164      1.872477
  C      -3.560426     -1.476832      3.435657
  C      -2.804553     -0.418941      4.037481
  O      -2.815523      0.801050      3.575861
  C      -1.916557     -0.665216      5.231034
  C      -3.434682     -2.807229      3.909557
  C      -6.835737     11.318332      2.413223
  C      -5.686459     10.337044      2.456674
  O      -4.674451     10.517529      1.787779
  C      -5.811601      9.132867      3.340850
  C      -6.936892      8.904513      4.152130
  C      -7.001709      7.776655      4.962435
  C      -5.937006      6.881363      4.962472
  F      -6.054188      5.798262      5.768360
  C      -4.793532      7.058166      4.165482
  C      -3.607750      6.129580      4.092823
  O      -2.782475      6.285493      3.199672
  C      -3.453010      5.034276      5.149766
  C      -4.767665      8.203992      3.359095
  C      -8.346363     -5.103112      4.275151
  C      -7.374148     -4.212292      5.020423
  O      -6.580818     -4.689254      5.826913
  C      -7.401409     -2.744314      4.743923
  C      -8.298706     -2.175990      3.823174
  C      -8.281363     -0.806661      3.581530
  C      -7.356042     -0.015317      4.252499
  F      -7.392476      1.316276      3.993143
  C      -6.434600     -0.530368      5.179313
  C      -5.376754      0.251262      5.894639
  O      -4.801878     -0.244375      6.864967
  C      -5.012434      1.650411      5.380717
  C      -6.493862     -1.914943      5.408828
  H      -4.329778     -7.331747      3.843452
  H      -5.717170     -6.268832      3.453399
  H      -4.439310     -6.514835      2.249817
  H      -5.567899     -4.474702      1.827600
  H      -5.886948     -2.133257      0.991085
  H      -1.255030     -1.538748      5.056291
  H      -2.548405     -0.925268      6.111626
  H      -2.768086     -3.029440      4.742325
  H      -7.029158     11.737499      3.412591
  H      -7.762170     10.821748      2.086667
  H      -6.589605     12.128527      1.719073
  H      -7.770324      9.607125      4.157091
  H      -7.864540      7.574213      5.597278
  H      -3.590986      5.524636      6.139089
  H      -4.316579      4.356209      5.039279
  H      -3.895144      8.369216      2.725516
  H      -9.386652     -4.808310      4.480478
  H      -8.193917     -6.140755      4.590685
  H      -8.196230     -5.022146      3.187679
  H      -9.015858     -2.799090      3.289301
  H      -8.971673     -0.336833      2.880719
  H      -5.852195      2.323682      5.659264
  H      -5.011032      1.622036      4.281418
  H      -5.793189     -2.351727      6.120748
  N      -0.749015      2.809193      3.562086
  N      -0.689957      3.823715      2.750521
  H      -1.324676      4.623679      2.928014
  H       0.127541      3.941420      2.152901
90
Coordinates from ORCA-job orca E -6562.231715154619
  N      -1.151333      0.542904      5.492755
  Mo     -1.999152      2.220588      4.826597
  N      -3.750031      2.136521      5.850195
  C      -3.697344      2.613691      7.222534
  C      -2.328313      2.277784      7.799629
  N      -1.227610      2.735465      6.883404
  C       0.004926      1.925892      7.081639
  C      -0.280064      0.490209      6.642538
  C      -0.980040      4.209692      7.049269
  C      -1.085159      4.875948      5.679278
  N      -2.240917      4.299827      5.005897
  H       0.677580     -0.018098      6.416601
  H      -0.744413     -0.085020      7.469862
  H       0.781316      2.375643      6.448046
  H       0.336374      1.967636      8.134009
  H      -1.166502      5.971935      5.791935
  H      -0.171708      4.674693      5.098400
  H      -1.761358      4.601957      7.716090
  H      -0.007089      4.372358      7.540040
  H      -4.452706      2.103844      7.842476
  H      -3.903220      3.701688      7.302046
  H      -2.262130      1.187775      7.887908
  H      -2.172306      2.721226      8.798074
  C      -4.633781     -6.414164      3.318208
  C      -3.866005     -5.245919      3.896483
  O      -3.042005     -5.419985      4.790563
  C      -4.123320     -3.881346      3.340457
  C      -5.016489     -3.652194      2.277214
  C      -5.197025     -2.349559      1.800864
  C      -4.489331     -1.303914      2.364099
  F      -4.720174     -0.061006      1.874328
  C      -3.563029     -1.475717      3.432736
  C      -2.807655     -0.418297      4.035837
  O      -2.819553      0.802483      3.576127
  C      -1.918488     -0.665922      5.228120
  C      -3.435040     -2.806991      3.903666
  C      -6.827126     11.323998      2.409577
  C      -5.678673     10.341770      2.455191
  O      -4.665305     10.521435      1.788155
  C      -5.806458      9.137704      3.339098
  C      -6.932814      8.911006      4.149389
  C      -6.999876      7.783319      4.959731
  C      -5.936492      6.886511      4.960777
  F      -6.055810      5.803704      5.766779
  C      -4.792221      7.061440      4.164549
  C      -3.608008      6.130763      4.092338
  O      -2.782807      6.284562      3.198780
  C      -3.454619      5.036431      5.150459
  C      -4.763941      8.207220      3.358153
  C      -8.338320     -5.111328      4.286608
  C      -7.365369     -4.217977      5.027758
  O      -6.568417     -4.692686      5.832053
  C      -7.396281     -2.750293      4.750231
  C      -8.296126     -2.184574      3.830387
  C      -8.281774     -0.815424      3.587418
  C      -7.357017     -0.021635      4.256254
  F      -7.396198      1.309597      3.995508
  C      -6.433372     -0.533993      5.182419
  C      -5.376237      0.250110      5.896047
  O      -4.799170     -0.243869      6.866001
  C      -5.015801      1.649996      5.381531
  C      -6.489463     -1.918493      5.413073
  H      -4.329009     -7.331630      3.832471
  H      -5.716192     -6.267725      3.443980
  H      -4.439246     -6.513711      2.239479
  H      -5.570039     -4.472279      1.821807
  H      -5.892554     -2.129549      0.990301
  H      -1.254694     -1.537158      5.050126
  H      -2.548763     -0.930711      6.108404
  H      -2.766832     -3.030212      4.734879
  H      -7.020892     11.744360      3.408384
  H      -7.753774     10.827982      2.082820
  H      -6.579632     12.133297      1.714871
  H      -7.765253      9.614785      4.153556
  H      -7.863533      7.582201      5.593875
  H      -3.592138      5.527961      6.139257
  H      -4.318850      4.359047      5.040698
  H      -3.890729      8.371091      2.725191
  H      -9.378432     -4.817853      4.494685
  H      -8.183180     -6.148323      4.602935
  H      -8.191529     -5.031544      3.198586
  H      -9.012843     -2.809641      3.298229
  H      -8.973880     -0.347553      2.887074
  H      -5.857115      2.321213      5.660346
  H      -5.014998      1.621516      4.282249
  H      -5.786896     -2.353402      6.124265
  N      -0.752071      2.809666      3.563256
  N      -0.692291      3.824967      2.752651
  H      -1.327048      4.624987      2.929831
  H       0.125432      3.942629      2.155320
90
Coordinates from ORCA-job orca E -6562.231715506676
  N      -1.155352      0.543260      5.493301
  Mo     -2.002045      2.221442      4.827107
  N      -3.753389      2.138895      5.849979
  C      -3.700570      2.615709      7.222516
  C      -2.332169      2.277968      7.800076
  N      -1.230752      2.735102      6.884398
  C       0.001170      1.924683      7.082991
  C      -0.284580      0.489406      6.643335
  C      -0.982178      4.209076      7.050816
  C      -1.086266      4.875801      5.680960
  N      -2.242211      4.300624      5.007067
  H       0.672858     -0.019397      6.417522
  H      -0.749685     -0.086059      7.470086
  H       0.778207      2.374060      6.449944
  H       0.331981      1.965816      8.135588
  H      -1.167075      5.971791      5.793993
  H      -0.172728      4.674314      5.100323
  H      -1.763557      4.601737      7.717333
  H      -0.009342      4.370947      7.542069
  H      -4.456992      2.106968      7.842038
  H      -3.904856      3.704005      7.301881
  H      -2.267456      1.187804      7.887577
  H      -2.175956      2.720733      8.798794
  C      -4.633421     -6.413411      3.310417
  C      -3.865037     -5.245621      3.888902
  O      -3.039150     -5.420548      4.781070
  C      -4.123915     -3.880399      3.335159
  C      -5.018223     -3.650331      2.273103
  C      -5.200119     -2.347186      1.798669
  C      -4.492720     -1.301826      2.362777
  F      -4.724927     -0.058360      1.875134
  C      -3.565432     -1.474478      3.430443
  C      -2.810401     -0.417399      4.034582
  O      -2.822627      0.803853      3.576041
  C      -1.920543     -0.666131      5.225995
  C      -3.435882     -2.806331      3.899329
  C      -6.821044     11.328034      2.406884
  C      -5.673041     10.345305      2.454234
  O      -4.658618     10.524534      1.788691
  C      -5.802694      9.141241      3.337881
  C      -6.929901      8.915504      4.147241
  C      -6.998549      7.787880      4.957567
  C      -5.935916      6.890169      4.959451
  F      -6.056759      5.807515      5.765446
  C      -4.790960      7.064034      4.163993
  C      -3.607574      6.132227      4.092344
  O      -2.782089      6.284962      3.198863
  C      -3.455340      5.038311      5.150971
  C      -4.761020      8.209817      3.357665
  C      -8.331947     -5.117800      4.295778
  C      -7.358485     -4.222410      5.033685
  O      -6.558770     -4.695228      5.836382
  C      -7.392181     -2.755012      4.755080
  C      -8.293970     -2.191392      3.835832
  C      -8.281886     -0.822386      3.591757
  C      -7.357618     -0.026658      4.258935
  F      -7.398931      1.304286      3.997050
  C      -6.432315     -0.536833      5.184661
  C      -5.375859      0.249257      5.897072
  O      -4.797002     -0.243417      6.866683
  C      -5.018390      1.649708      5.381980
  C      -6.485939     -1.921268      5.416250
  H      -4.328790     -7.331196      3.824205
  H      -5.715798     -6.266841      3.436081
  H      -4.438732     -6.512470      2.231654
  H      -5.571632     -4.470177      1.817088
  H      -5.896511     -2.126522      0.989022
  H      -1.255196     -1.535753      5.045577
  H      -2.549735     -0.934491      6.105964
  H      -2.766655     -3.030277      4.729530
  H      -7.015560     11.748918      3.405333
  H      -7.747577     10.832264      2.079434
  H      -6.572483     12.136922      1.712083
  H      -7.761762      9.619973      4.150681
  H      -7.862869      7.587507      5.591044
  H      -3.592562      5.530627      6.139453
  H      -4.320092      4.361506      5.041626
  H      -3.887226      8.372938      2.725316
  H      -9.371916     -4.825303      4.505939
  H      -8.174668     -6.154251      4.612836
  H      -8.187775     -5.039082      3.207318
  H      -9.010376     -2.817962      3.305007
  H      -8.975366     -0.356031      2.891750
  H      -5.860901      2.319331      5.660988
  H      -5.018006      1.621133      4.282705
  H      -5.781900     -2.354644      6.126921
  N      -0.753971      2.809727      3.564095
  N      -0.693635      3.825015      2.753524
  H      -1.328110      4.625285      2.930605
  H       0.124174      3.942286      2.156244
