90
Coordinates from ORCA-job orca E -6561.995283971151
  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      -0.605988      2.695023      1.506981
  H       0.413630      3.475142      2.690363
90
Coordinates from ORCA-job orca E -6562.011600296226
  N      -1.538901      0.883943      5.454224
  Mo     -2.701950      2.384585      4.885685
  N      -4.300006      2.051142      5.947295
  C      -4.255095      2.332143      7.378031
  C      -2.819190      2.166277      7.872504
  N      -1.889741      2.873279      6.959127
  C      -0.516174      2.340391      7.063660
  C      -0.463904      0.959081      6.411206
  C      -1.866408      4.334780      7.226999
  C      -1.841132      5.012619      5.849655
  N      -2.893499      4.352351      5.106219
  H       0.516573      0.808977      5.923623
  H      -0.571097      0.155860      7.164240
  H       0.145817      3.025771      6.521640
  H      -0.198697      2.299835      8.116846
  H      -1.992820      6.099233      5.931359
  H      -0.867974      4.847991      5.363012
  H      -2.791016      4.623098      7.741034
  H      -1.009689      4.608844      7.857468
  H      -4.889701      1.631275      7.942958
  H      -4.633767      3.352831      7.583271
  H      -2.584445      1.097096      7.841512
  H      -2.703880      2.532594      8.904550
  C      -3.916212     -6.451252      3.287517
  C      -2.982049     -5.275525      3.397407
  O      -1.844919     -5.377899      3.838562
  C      -3.532571     -3.945505      2.994314
  C      -4.664838     -3.809608      2.176980
  C      -5.147654     -2.543099      1.871646
  C      -4.525490     -1.428939      2.400883
  F      -5.065918     -0.219529      2.106851
  C      -3.383810     -1.512393      3.236230
  C      -2.807245     -0.345658      3.869272
  O      -3.211577      0.824290      3.605959
  C      -1.670621     -0.426286      4.852444
  C      -2.903271     -2.808396      3.491788
  C      -5.450679     12.067609      2.428542
  C      -4.762580     10.724946      2.358197
  O      -3.873767     10.503234      1.546629
  C      -5.202595      9.667678      3.319514
  C      -6.183063      9.884159      4.304311
  C      -6.550500      8.850293      5.155930
  C      -5.933937      7.615457      5.045022
  F      -6.365405      6.627594      5.870693
  C      -4.932895      7.353237      4.090309
  C      -4.220917      6.072412      3.922551
  O      -3.672152      5.793381      2.857175
  C      -4.136981      5.090376      5.102051
  C      -4.609195      8.410549      3.227453
  C      -8.202150     -5.684907      4.572483
  C      -7.138963     -4.718264      5.037545
  O      -6.072760     -5.121120      5.493006
  C      -7.426579     -3.259193      4.908700
  C      -8.632668     -2.760090      4.381337
  C      -8.820385     -1.390054      4.261194
  C      -7.821519     -0.515242      4.660492
  F      -8.067237      0.808425      4.494784
  C      -6.601446     -0.959413      5.201530
  C      -5.459580     -0.118552      5.626498
  O      -4.428297     -0.653268      6.023248
  C      -5.539614      1.415444      5.545445
  C      -6.449942     -2.351282      5.310830
  H      -3.437275     -7.342042      3.701644
  H      -4.834866     -6.218458      3.849020
  H      -4.182645     -6.636335      2.240290
  H      -5.167801     -4.682301      1.772407
  H      -6.022020     -2.408352      1.239359
  H      -0.742636     -0.726157      4.321513
  H      -1.872383     -1.187461      5.625245
  H      -2.032336     -2.950017      4.127252
  H      -5.288215     12.523798      3.412472
  H      -6.529952     11.950730      2.275573
  H      -5.042190     12.722675      1.655130
  H      -6.667862     10.849994      4.408114
  H      -7.322247      8.987625      5.909751
  H      -4.265986      5.641776      6.046146
  H      -4.986669      4.393400      5.009450
  H      -3.850750      8.238741      2.466216
  H      -9.127401     -5.532583      5.140659
  H      -7.851978     -6.709123      4.722722
  H      -8.421761     -5.525828      3.510085
  H      -9.422616     -3.430501      4.057038
  H      -9.739943     -0.980430      3.849727
  H      -6.394632      1.736494      6.163981
  H      -5.772247      1.687008      4.505418
  H      -5.513826     -2.731535      5.714430
  N      -1.232896      2.821470      3.404602
  N      -0.374182      3.074990      2.547550
  H      -0.515685      2.826011      1.556089
  H       0.513909      3.544131      2.792390
90
Coordinates from ORCA-job orca E -6562.018998082981
  N      -1.465244      0.869179      5.459362
  Mo     -2.644924      2.379760      4.943499
  N      -4.235924      2.040732      6.040758
  C      -4.147792      2.316267      7.484421
  C      -2.702658      2.142299      7.939257
  N      -1.785520      2.852934      6.993531
  C      -0.402313      2.311464      7.055178
  C      -0.367431      0.935024      6.396143
  C      -1.748537      4.330532      7.249806
  C      -1.740465      5.010290      5.873711
  N      -2.818993      4.357797      5.151110
  H       0.603398      0.786239      5.886686
  H      -0.458852      0.123296      7.145741
  H       0.244590      3.003943      6.499175
  H      -0.057980      2.271442      8.102320
  H      -1.881533      6.100991      5.958235
  H      -0.775456      4.837658      5.367917
  H      -2.662144      4.621177      7.787673
  H      -0.875150      4.594334      7.868287
  H      -4.772017      1.616764      8.065611
  H      -4.515702      3.339211      7.707404
  H      -2.464372      1.071506      7.900618
  H      -2.552909      2.507180      8.970566
  C      -3.744150     -6.505546      3.416531
  C      -2.874080     -5.271283      3.476140
  O      -1.707657     -5.311781      3.860965
  C      -3.497748     -3.958461      3.086558
  C      -4.674717     -3.866530      2.321440
  C      -5.209576     -2.613938      2.011254
  C      -4.591562     -1.467755      2.488378
  F      -5.179590     -0.285662      2.194301
  C      -3.408881     -1.505710      3.278012
  C      -2.807548     -0.337668      3.885208
  O      -3.213382      0.855296      3.657382
  C      -1.642783     -0.435961      4.836350
  C      -2.882726     -2.789616      3.537075
  C      -5.620138     11.983118      2.326027
  C      -4.889176     10.658391      2.292046
  O      -3.984853     10.446192      1.489923
  C      -5.297837      9.593664      3.273994
  C      -6.292057      9.793552      4.250510
  C      -6.632780      8.765664      5.127193
  C      -5.967668      7.548253      5.037937
  F      -6.360868      6.561106      5.880568
  C      -4.956399      7.302132      4.091970
  C      -4.192716      6.027556      3.950857
  O      -3.639229      5.750942      2.898396
  C      -4.076939      5.069629      5.155860
  C      -4.659122      8.351559      3.207952
  C      -8.401637     -5.533279      4.234173
  C      -7.311683     -4.632688      4.773555
  O      -6.252857     -5.097381      5.192650
  C      -7.547113     -3.150338      4.765389
  C      -8.733775     -2.570520      4.273139
  C      -8.880201     -1.186418      4.250789
  C      -7.844869     -0.382259      4.717082
  F      -8.031010      0.955676      4.655122
  C      -6.646147     -0.907372      5.230202
  C      -5.469233     -0.116567      5.704265
  O      -4.463783     -0.703089      6.089491
  C      -5.493581      1.421858      5.646538
  C      -6.538255     -2.309143      5.241839
  H      -3.187584     -7.366245      3.807636
  H      -4.651529     -6.335018      4.024471
  H      -4.056673     -6.716187      2.379412
  H      -5.172987     -4.766225      1.953502
  H      -6.119132     -2.513837      1.413097
  H      -0.733974     -0.747956      4.276733
  H      -1.826971     -1.203126      5.611862
  H      -1.974012     -2.897456      4.136265
  H      -5.485446     12.472230      3.305958
  H      -6.701804     11.834389      2.169257
  H      -5.222686     12.634574      1.538217
  H      -6.812412     10.751224      4.331344
  H      -7.416297      8.891462      5.879349
  H      -4.216931      5.628687      6.097597
  H      -4.916626      4.354447      5.075808
  H      -3.887908      8.189645      2.449761
  H      -9.332246     -5.403537      4.812462
  H      -8.075586     -6.578249      4.302844
  H      -8.623612     -5.285437      3.182072
  H      -9.547867     -3.193924      3.894938
  H      -9.787316     -0.712633      3.866244
  H      -6.341192      1.755546      6.273574
  H      -5.733318      1.718202      4.612578
  H      -5.611662     -2.750975      5.617198
  N      -1.229345      2.847696      3.417776
  N      -0.403400      3.111490      2.549625
  H      -0.586006      2.916295      1.542263
  H       0.523008      3.544604      2.769798
90
Coordinates from ORCA-job orca E -6562.024469256045
  N      -1.478120      0.856744      5.469553
  Mo     -2.641675      2.384786      4.972748
  N      -4.245379      2.041976      6.059347
  C      -4.163939      2.319495      7.503970
  C      -2.725954      2.129858      7.966149
  N      -1.794146      2.830515      7.025136
  C      -0.417553      2.269686      7.089140
  C      -0.394216      0.898058      6.421549
  C      -1.739835      4.310228      7.282798
  C      -1.706517      4.996911      5.913386
  N      -2.786869      4.368882      5.175046
  H       0.581308      0.739566      5.924620
  H      -0.506571      0.080799      7.161573
  H       0.238465      2.962025      6.545127
  H      -0.082140      2.221238      8.138150
  H      -1.832132      6.088632      6.003052
  H      -0.740553      4.812533      5.416055
  H      -2.653860      4.605423      7.815751
  H      -0.870592      4.553292      7.915122
  H      -4.797731      1.625404      8.080237
  H      -4.526256      3.343779      7.724382
  H      -2.491390      1.058733      7.926808
  H      -2.572730      2.492210      8.996938
  C      -3.870384     -6.444904      3.301041
  C      -2.987454     -5.224539      3.404224
  O      -1.839196     -5.286492      3.834778
  C      -3.569120     -3.894961      3.006798
  C      -4.719133     -3.770234      2.207441
  C      -5.218288     -2.503884      1.893268
  C      -4.592432     -1.375780      2.402104
  F      -5.139391     -0.176399      2.106597
  C      -3.438621     -1.445877      3.226208
  C      -2.830773     -0.302789      3.861401
  O      -3.225580      0.902257      3.658751
  C      -1.681749     -0.434433      4.827052
  C      -2.945461     -2.743746      3.487752
  C      -5.632620     11.961188      2.283285
  C      -4.877450     10.652187      2.269991
  O      -3.948548     10.456597      1.493573
  C      -5.290271      9.577355      3.239055
  C      -6.312796      9.757920      4.187972
  C      -6.658521      8.727262      5.059034
  C      -5.966713      7.523379      4.985508
  F      -6.355619      6.527507      5.819952
  C      -4.930730      7.297116      4.065018
  C      -4.139408      6.031095      3.944756
  O      -3.559097      5.761741      2.906683
  C      -4.039999      5.082269      5.161029
  C      -4.626491      8.348357      3.188566
  C      -8.297525     -5.590272      4.361337
  C      -7.235665     -4.663802      4.907017
  O      -6.184048     -5.101421      5.366812
  C      -7.482726     -3.185055      4.857199
  C      -8.656332     -2.629727      4.312649
  C      -8.817550     -1.249222      4.248317
  C      -7.801956     -0.426408      4.726426
  F      -7.995199      0.908287      4.631761
  C      -6.616988     -0.929337      5.289425
  C      -5.456419     -0.112964      5.774825
  O      -4.471949     -0.676252      6.238293
  C      -5.487084      1.416928      5.651158
  C      -6.495326     -2.326113      5.343636
  H      -3.338454     -7.314920      3.702707
  H      -4.799043     -6.274148      3.870681
  H      -4.147413     -6.642013      2.252599
  H      -5.225417     -4.655009      1.819184
  H      -6.105250     -2.377741      1.269905
  H      -0.772476     -0.760602      4.277324
  H      -1.886711     -1.206022      5.592701
  H      -2.060282     -2.877846      4.112406
  H      -5.538064     12.453163      3.265208
  H      -6.706321     11.795201      2.099388
  H      -5.225528     12.618910      1.507207
  H      -6.851368     10.705121      4.252355
  H      -7.461490      8.838603      5.789868
  H      -4.199658      5.643202      6.098377
  H      -4.879288      4.369331      5.067991
  H      -3.834776      8.200942      2.450799
  H      -9.246747     -5.458201      4.905637
  H      -7.960331     -6.627536      4.466211
  H      -8.495286     -5.372956      3.298986
  H      -9.450677     -3.271312      3.926932
  H      -9.715294     -0.794760      3.825665
  H      -6.349612      1.776080      6.243305
  H      -5.704773      1.673837      4.602669
  H      -5.577951     -2.748975      5.757812
  N      -1.234429      2.885020      3.451432
  N      -0.407823      3.162487      2.591273
  H      -0.603288      3.039025      1.575014
  H       0.542978      3.538843      2.814751
90
Coordinates from ORCA-job orca E -6562.029006365467
  N      -1.478427      0.842010      5.488575
  Mo     -2.630835      2.379015      5.007276
  N      -4.234663      2.043461      6.100944
  C      -4.146376      2.328262      7.540954
  C      -2.710245      2.128793      7.998041
  N      -1.776816      2.815442      7.049765
  C      -0.406683      2.239918      7.108582
  C      -0.400614      0.867350      6.444522
  C      -1.707338      4.296403      7.301284
  C      -1.664261      4.980092      5.933842
  N      -2.748701      4.370167      5.190766
  H       0.575297      0.694870      5.952882
  H      -0.526483      0.052319      7.184493
  H       0.253016      2.927610      6.564415
  H      -0.069776      2.191289      8.156636
  H      -1.777246      6.072683      6.023844
  H      -0.700915      4.784479      5.437537
  H      -2.618528      4.597014      7.834677
  H      -0.838539      4.526110      7.938593
  H      -4.785076      1.642655      8.121199
  H      -4.501172      3.355350      7.755823
  H      -2.478552      1.057470      7.962625
  H      -2.544579      2.495706      9.024392
  C      -3.936979     -6.411727      3.228607
  C      -3.059442     -5.195152      3.370004
  O      -1.915554     -5.267708      3.806472
  C      -3.631830     -3.857209      2.994193
  C      -4.778676     -3.712059      2.195694
  C      -5.260798     -2.438681      1.889670
  C      -4.621449     -1.323146      2.406524
  F      -5.141659     -0.111468      2.116217
  C      -3.475404     -1.413389      3.235391
  C      -2.854721     -0.286013      3.877644
  O      -3.243002      0.924644      3.690044
  C      -1.709700     -0.439876      4.843131
  C      -2.998849     -2.719258      3.489562
  C      -5.676596     11.911458      2.237304
  C      -4.895188     10.620543      2.241764
  O      -3.948320     10.443014      1.484542
  C      -5.302912      9.539719      3.203946
  C      -6.345918      9.702026      4.131793
  C      -6.688373      8.670301      5.001530
  C      -5.970427      7.481729      4.944513
  F      -6.351136      6.479686      5.776695
  C      -4.915485      7.274351      4.042975
  C      -4.096403      6.021846      3.940528
  O      -3.497529      5.758681      2.910662
  C      -3.997297      5.085562      5.167257
  C      -4.613420      8.325661      3.168500
  C      -8.219071     -5.579617      4.332148
  C      -7.180901     -4.650487      4.911548
  O      -6.137364     -5.082109      5.392048
  C      -7.437977     -3.174506      4.870313
  C      -8.599337     -2.625840      4.298268
  C      -8.774385     -1.247794      4.239514
  C      -7.779178     -0.421116      4.750497
  F      -7.986593      0.913278      4.666370
  C      -6.605019     -0.919825      5.340903
  C      -5.457160     -0.099394      5.856280
  O      -4.495920     -0.657919      6.370152
  C      -5.470730      1.423978      5.688618
  C      -6.471035     -2.313696      5.390742
  H      -3.403439     -7.288815      3.608988
  H      -4.870800     -6.264200      3.792819
  H      -4.206577     -6.580789      2.174656
  H      -5.293532     -4.586792      1.799679
  H      -6.141706     -2.295848      1.263992
  H      -0.806084     -0.785148      4.295494
  H      -1.926902     -1.208823      5.607829
  H      -2.118158     -2.870890      4.113073
  H      -5.614640     12.407011      3.218321
  H      -6.742087     11.724620      2.035309
  H      -5.268388     12.575253      1.468533
  H      -6.903224     10.637397      4.180482
  H      -7.505663      8.768102      5.715615
  H      -4.166170      5.653061      6.098271
  H      -4.837686      4.374162      5.074226
  H      -3.807202      8.192378      2.446068
  H      -9.182712     -5.460895      4.850377
  H      -7.875264     -6.613745      4.435811
  H      -8.394426     -5.354447      3.269088
  H      -9.374960     -3.272264      3.887768
  H      -9.664401     -0.799378      3.798858
  H      -6.337649      1.812520      6.254984
  H      -5.673691      1.654202      4.631782
  H      -5.562360     -2.731695      5.825088
  N      -1.261144      2.906013      3.473407
  N      -0.443470      3.191241      2.602829
  H      -0.665679      3.135065      1.587803
  H       0.529499      3.511078      2.810336
90
Coordinates from ORCA-job orca E -6562.033142045693
  N      -1.473961      0.827039      5.508371
  Mo     -2.610374      2.371877      5.033453
  N      -4.215168      2.048487      6.132514
  C      -4.123451      2.342456      7.567252
  C      -2.689382      2.134140      8.023310
  N      -1.752414      2.804649      7.067622
  C      -0.389480      2.213062      7.126000
  C      -0.403794      0.837037      6.470761
  C      -1.668074      4.286877      7.312610
  C      -1.615988      4.966024      5.945976
  N      -2.703040      4.371555      5.197159
  H       0.572989      0.645048      5.987499
  H      -0.547203      0.028538      7.214996
  H       0.277410      2.891813      6.579654
  H      -0.052200      2.166115      8.174046
  H      -1.717950      6.059727      6.035913
  H      -0.653862      4.760773      5.451166
  H      -2.577848      4.594154      7.844428
  H      -0.800672      4.505940      7.955656
  H      -4.768809      1.666794      8.151630
  H      -4.470523      3.373690      7.773975
  H      -2.463010      1.061627      7.995495
  H      -2.514199      2.507965      9.045312
  C      -3.988016     -6.389289      3.182878
  C      -3.116418     -5.175754      3.360226
  O      -1.981236     -5.255621      3.816439
  C      -3.679543     -3.831924      2.994719
  C      -4.816677     -3.672047      2.185992
  C      -5.283721     -2.393812      1.880937
  C      -4.638687     -1.287178      2.407827
  F      -5.135865     -0.067188      2.112863
  C      -3.504588     -1.391946      3.250755
  C      -2.873723     -0.275513      3.899767
  O      -3.251613      0.939961      3.719859
  C      -1.734177     -0.449070      4.866816
  C      -3.043668     -2.703598      3.505289
  C      -5.740131     11.867125      2.209432
  C      -4.928577     10.596299      2.225932
  O      -3.965452     10.443010      1.484373
  C      -5.325540      9.505302      3.179596
  C      -6.386797      9.642473      4.089767
  C      -6.719680      8.604625      4.955367
  C      -5.972802      7.434112      4.910177
  F      -6.340150      6.423186      5.738905
  C      -4.900519      7.251751      4.024481
  C      -4.051052      6.017672      3.934557
  O      -3.435049      5.766531      2.911187
  C      -3.948502      5.088515      5.165991
  C      -4.606904      8.308256      3.154434
  C      -8.183048     -5.554557      4.297687
  C      -7.155561     -4.632948      4.904630
  O      -6.122924     -5.071375      5.401800
  C      -7.408299     -3.156653      4.870367
  C      -8.555076     -2.603504      4.276218
  C      -8.730709     -1.225617      4.224090
  C      -7.747427     -0.403921      4.763507
  F      -7.956602      0.931936      4.690660
  C      -6.586148     -0.907791      5.374346
  C      -5.447444     -0.089311      5.915758
  O      -4.510676     -0.644556      6.476359
  C      -5.445172      1.429057      5.714242
  C      -6.451602     -2.301233      5.418577
  H      -3.457019     -7.271263      3.554396
  H      -4.931617     -6.257821      3.733512
  H      -4.240966     -6.538679      2.122184
  H      -5.334883     -4.540059      1.780608
  H      -6.155063     -2.239215      1.245343
  H      -0.837464     -0.819882      4.323656
  H      -1.968789     -1.211667      5.633559
  H      -2.170939     -2.868214      4.135787
  H      -5.708793     12.362705      3.191317
  H      -6.797406     11.656199      1.991112
  H      -5.335356     12.541501      1.448542
  H      -6.966032     10.564346      4.127599
  H      -7.550004      8.683781      5.655836
  H      -4.125907      5.661060      6.092428
  H      -4.790623      4.378351      5.072946
  H      -3.787348      8.194288      2.444607
  H      -9.157399     -5.437402      4.794658
  H      -7.843941     -6.590052      4.400202
  H      -8.337786     -5.320942      3.233699
  H      -9.320543     -3.247655      3.844836
  H      -9.611628     -0.774315      3.769537
  H      -6.318217      1.841371      6.254688
  H      -5.633186      1.634825      4.649739
  H      -5.553566     -2.722656      5.870092
  N      -1.292185      2.924421      3.490340
  N      -0.486385      3.213389      2.604555
  H      -0.739259      3.222685      1.597303
  H       0.505315      3.475439      2.791031
90
Coordinates from ORCA-job orca E -6562.037286399109
  N      -1.466587      0.812105      5.525966
  Mo     -2.586036      2.361579      5.049444
  N      -4.191474      2.056858      6.155004
  C      -4.097747      2.363535      7.583333
  C      -2.665794      2.145761      8.040852
  N      -1.724557      2.797845      7.077082
  C      -0.368994      2.190833      7.138191
  C      -0.404567      0.809433      6.495943
  C      -1.626669      4.280953      7.314677
  C      -1.567809      4.954100      5.947522
  N      -2.656546      4.372316      5.193907
  H       0.572745      0.595071      6.022800
  H      -0.566767      0.011167      7.247650
  H       0.306358      2.857733      6.587644
  H      -0.031414      2.147461      8.186398
  H      -1.660297      6.048826      6.036699
  H      -0.606379      4.740703      5.453948
  H      -2.535696      4.595757      7.843496
  H      -0.761195      4.492515      7.962901
  H      -4.751357      1.700795      8.173169
  H      -4.434945      3.400340      7.779053
  H      -2.448194      1.071255      8.024045
  H      -2.482871      2.528772      9.057918
  C      -4.018966     -6.383264      3.160274
  C      -3.155929     -5.170502      3.370904
  O      -2.028021     -5.254581      3.843881
  C      -3.714101     -3.823436      3.011428
  C      -4.843091     -3.654331      2.193606
  C      -5.299020     -2.373192      1.886765
  C      -4.650315     -1.272132      2.419213
  F      -5.130469     -0.046789      2.117236
  C      -3.525934     -1.386251      3.274301
  C      -2.886778     -0.275134      3.925647
  O      -3.256089      0.942436      3.747298
  C      -1.752346     -0.462063      4.894644
  C      -3.077296     -2.701130      3.532452
  C      -5.805227     11.832135      2.202006
  C      -4.964349     10.580979      2.225497
  O      -3.986617     10.454743      1.497872
  C      -5.350110      9.477307      3.167534
  C      -6.427949      9.585911      4.061577
  C      -6.749305      8.537946      4.918944
  C      -5.974834      7.385884      4.881469
  F      -6.329312      6.364251      5.703694
  C      -4.886402      7.231286      4.010063
  C      -4.008005      6.017928      3.927039
  O      -3.375331      5.784136      2.908656
  C      -3.899400      5.090935      5.157977
  C      -4.603358      8.297334      3.148277
  C      -8.161108     -5.518130      4.247780
  C      -7.141994     -4.606207      4.882162
  O      -6.120660     -5.054819      5.393762
  C      -7.389003     -3.129502      4.856548
  C      -8.520691     -2.568948      4.241952
  C      -8.693382     -1.190591      4.198720
  C      -7.721570     -0.375789      4.766672
  F      -7.931425      0.961448      4.704752
  C      -6.574097     -0.886923      5.397444
  C      -5.445133     -0.074701      5.967012
  O      -4.533435     -0.630026      6.568162
  C      -5.419592      1.438694      5.733755
  C      -6.442014     -2.280992      5.433069
  H      -3.488871     -7.268898      3.523859
  H      -4.970920     -6.267104      3.699314
  H      -4.256165     -6.514887      2.093745
  H      -5.363174     -4.518209      1.782205
  H      -6.162632     -2.211406      1.242617
  H      -0.863237     -0.860079      4.357675
  H      -2.005163     -1.214921      5.666183
  H      -2.211107     -2.874175      4.169459
  H      -5.801975     12.323207      3.186394
  H      -6.853843     11.597785      1.967354
  H      -5.405210     12.519905      1.450836
  H      -7.028913     10.493738      4.092963
  H      -7.591537      8.595697      5.606975
  H      -4.083559      5.666913      6.081572
  H      -4.743651      4.382338      5.065508
  H      -3.771649      8.205474      2.449852
  H      -9.144801     -5.401127      4.725451
  H      -7.828699     -6.555946      4.347360
  H      -8.295243     -5.274532      3.183372
  H      -9.277195     -3.208317      3.788822
  H      -9.564357     -0.734002      3.730806
  H      -6.295693      1.876349      6.249192
  H      -5.592970      1.619851      4.662372
  H      -5.555321     -2.708167      5.900876
  N      -1.339254      2.935352      3.500346
  N      -0.550085      3.222117      2.591900
  H      -0.838690      3.289332      1.599363
  H       0.455595      3.429410      2.751660
90
Coordinates from ORCA-job orca E -6562.041641948543
  N      -1.456062      0.799192      5.537345
  Mo     -2.559328      2.349607      5.052185
  N      -4.166874      2.067762      6.162933
  C      -4.073936      2.388822      7.584943
  C      -2.644324      2.160876      8.047757
  N      -1.696641      2.794346      7.077563
  C      -0.347819      2.173745      7.144684
  C      -0.403002      0.786470      6.516816
  C      -1.587243      4.277752      7.309354
  C      -1.522777      4.946211      5.941549
  N      -2.612082      4.375844      5.183158
  H       0.574836      0.549171      6.055597
  H      -0.584687      0.000521      7.277353
  H       0.336832      2.827903      6.589920
  H      -0.010911      2.134248      8.193471
  H      -1.607316      6.041814      6.031114
  H      -0.561003      4.726986      5.449132
  H      -2.496615      4.600081      7.833550
  H      -0.724488      4.483699      7.963227
  H      -4.737325      1.740474      8.179773
  H      -4.399923      3.431931      7.768470
  H      -2.438524      1.083794      8.043898
  H      -2.456786      2.553809      9.060201
  C      -4.023650     -6.394608      3.165412
  C      -3.170323     -5.179607      3.398963
  O      -2.048962     -5.262352      3.888277
  C      -3.729145     -3.832650      3.039568
  C      -4.851754     -3.661512      2.213321
  C      -5.302083     -2.379886      1.900866
  C      -4.653255     -1.279856      2.434413
  F      -5.124213     -0.053114      2.122063
  C      -3.536139     -1.396610      3.300101
  C      -2.891955     -0.284447      3.949612
  O      -3.255874      0.932196      3.766851
  C      -1.761815     -0.477199      4.921130
  C      -3.094648     -2.711487      3.565767
  C      -5.863917     11.813938      2.216728
  C      -4.996219     10.580589      2.242636
  O      -4.005045     10.482681      1.528152
  C      -5.372533      9.462001      3.169485
  C      -6.465786      9.540184      4.048123
  C      -6.775394      8.478483      4.892806
  C      -5.976037      7.343942      4.859186
  F      -6.319875      6.310328      5.671529
  C      -4.872243      7.218279      4.001434
  C      -3.967464      6.026470      3.920456
  O      -3.319055      5.814030      2.905950
  C      -3.852765      5.095825      5.145405
  C      -4.600243      8.297935      3.152217
  C      -8.161277     -5.476449      4.194527
  C      -7.145415     -4.576395      4.852162
  O      -6.135359     -5.038789      5.374988
  C      -7.383145     -3.098662      4.833895
  C      -8.500152     -2.527828      4.201734
  C      -8.664688     -1.148228      4.166748
  C      -7.701028     -0.342053      4.758810
  F      -7.907825      0.996590      4.705132
  C      -6.567186     -0.862262      5.406726
  C      -5.446320     -0.059119      6.000459
  O      -4.559702     -0.615890      6.638001
  C      -5.395724      1.449813      5.740203
  C      -6.442525     -2.258177      5.434402
  H      -3.493120     -7.281369      3.526093
  H      -4.981879     -6.289085      3.696120
  H      -4.247693     -6.515917      2.094645
  H      -5.371351     -4.524863      1.799521
  H      -6.160101     -2.216925      1.249034
  H      -0.880074     -0.901976      4.392291
  H      -2.032360     -1.217704      5.699797
  H      -2.233197     -2.886999      4.209229
  H      -5.886138     12.296006      3.205546
  H      -6.903765     11.558518      1.964659
  H      -5.468345     12.517360      1.477563
  H      -7.087309     10.434392      4.077238
  H      -7.628821      8.513192      5.569103
  H      -4.043100      5.672697      6.068438
  H      -4.699357      4.389072      5.052437
  H      -3.757052      8.229785      2.464648
  H      -9.152057     -5.355565      4.656748
  H      -7.838799     -6.517828      4.291099
  H      -8.276499     -5.223622      3.129741
  H      -9.251257     -3.160110      3.729711
  H      -9.525649     -0.683863      3.687246
  H      -6.273472      1.911186      6.232114
  H      -5.554747      1.607322      4.662809
  H      -5.567101     -2.693230      5.916504
  N      -1.408828      2.939569      3.504983
  N      -0.641411      3.217236      2.565996
  H      -0.970597      3.331049      1.593998
  H       0.373045      3.375840      2.696165
90
Coordinates from ORCA-job orca E -6562.045903026414
  N      -1.450434      0.789475      5.536742
  Mo     -2.539810      2.339100      5.035693
  N      -4.153924      2.085932      6.148081
  C      -4.064917      2.422785      7.565701
  C      -2.638843      2.180682      8.038945
  N      -1.679492      2.795495      7.066636
  C      -0.336721      2.162326      7.143768
  C      -0.407882      0.769562      6.529204
  C      -1.559710      4.277881      7.296535
  C      -1.490042      4.945054      5.928657
  N      -2.579724      4.385751      5.166106
  H       0.570728      0.510133      6.082003
  H      -0.610625     -0.003416      7.297882
  H       0.358312      2.803539      6.586041
  H      -0.002732      2.125996      8.193827
  H      -1.567345      6.041351      6.020603
  H      -0.526917      4.722295      5.437261
  H      -2.470155      4.608379      7.814476
  H      -0.699816      4.478775      7.956144
  H      -4.740264      1.790226      8.164067
  H      -4.376979      3.472859      7.737091
  H      -2.449862      1.100247      8.048671
  H      -2.451369      2.582713      9.048028
  C      -4.015970     -6.425803      3.189087
  C      -3.171262     -5.206528      3.437917
  O      -2.054603     -5.284296      3.940299
  C      -3.733603     -3.861645      3.072425
  C      -4.851681     -3.694242      2.238677
  C      -5.301013     -2.413757      1.917222
  C      -4.654303     -1.310797      2.447879
  F      -5.123701     -0.086749      2.122668
  C      -3.541632     -1.424868      3.321558
  C      -2.895824     -0.305705      3.964804
  O      -3.258278      0.906884      3.770735
  C      -1.768101     -0.494647      4.939659
  C      -3.102812     -2.737102      3.597983
  C      -5.891163     11.832537      2.257624
  C      -5.005530     10.610192      2.281599
  O      -4.001990     10.536148      1.580426
  C      -5.380499      9.475601      3.189155
  C      -6.488324      9.527015      4.052339
  C      -6.791911      8.449148      4.879049
  C      -5.975534      7.326734      4.845161
  F      -6.316759      6.281069      5.642735
  C      -4.857147      7.225878      4.001543
  C      -3.933814      6.050845      3.918226
  O      -3.270536      5.861116      2.907991
  C      -3.817446      5.109043      5.131735
  C      -4.591121      8.322101      3.170118
  C      -8.144079     -5.456409      4.161238
  C      -7.134871     -4.556822      4.833169
  O      -6.131401     -5.022914      5.366997
  C      -7.373257     -3.079302      4.813405
  C      -8.481602     -2.507893      4.164421
  C      -8.644520     -1.127743      4.130671
  C      -7.691441     -0.320811      4.738546
  F      -7.901243      1.016948      4.684258
  C      -6.566377     -0.839513      5.402898
  C      -5.457339     -0.037087      6.014197
  O      -4.588521     -0.590650      6.679708
  C      -5.387210      1.467492      5.728018
  C      -6.442661     -2.237116      5.429048
  H      -3.485172     -7.312968      3.549826
  H      -4.978228     -6.325362      3.715501
  H      -4.230184     -6.541901      2.115207
  H      -5.369486     -4.560016      1.825959
  H      -6.155791     -2.254742      1.259079
  H      -0.892319     -0.943032      4.420921
  H      -2.053934     -1.219750      5.728352
  H      -2.244134     -2.909578      4.247479
  H      -5.934043     12.301350      3.252889
  H      -6.923505     11.564192      1.985993
  H      -5.495208     12.551637      1.533250
  H      -7.124958     10.411296      4.083516
  H      -7.656114      8.463065      5.543686
  H      -4.010529      5.682531      6.058110
  H      -4.667670      4.406273      5.036526
  H      -3.736727      8.274911      2.493673
  H      -9.140949     -5.334916      4.611654
  H      -7.824341     -6.498795      4.260658
  H      -8.244420     -5.202161      3.094527
  H      -9.226018     -3.139297      3.679458
  H      -9.499458     -0.662603      3.639422
  H      -6.265273      1.948471      6.200426
  H      -5.533901      1.602047      4.645604
  H      -5.574355     -2.672428      5.925128
  N      -1.495663      2.930123      3.499340
  N      -0.752135      3.187962      2.525788
  H      -1.123316      3.336720      1.577212
  H       0.267664      3.298804      2.629177
90
Coordinates from ORCA-job orca E -6562.049516415958
  N      -1.444778      0.781644      5.522443
  Mo     -2.523039      2.332817      4.999693
  N      -4.152887      2.109134      6.103878
  C      -4.073035      2.462712      7.519632
  C      -2.654272      2.201427      8.010927
  N      -1.674769      2.798789      7.046048
  C      -0.338800      2.152397      7.140723
  C      -0.420225      0.755832      6.536406
  C      -1.545475      4.278181      7.279498
  C      -1.468464      4.947830      5.913476
  N      -2.557699      4.399430      5.146020
  H       0.561384      0.475388      6.109797
  H      -0.650666     -0.005161      7.309046
  H       0.368959      2.781189      6.584417
  H      -0.014217      2.118357      8.193779
  H      -1.539140      6.044424      6.009215
  H      -0.502948      4.723497      5.424735
  H      -2.457840      4.616473      7.789085
  H      -0.689268      4.473062      7.945929
  H      -4.763350      1.846350      8.117564
  H      -4.369211      3.519392      7.679110
  H      -2.485528      1.117580      8.032127
  H      -2.473856      2.609590      9.018930
  C      -4.000415     -6.466149      3.233811
  C      -3.159101     -5.242588      3.481565
  O      -2.047757     -5.312330      3.997102
  C      -3.722347     -3.901192      3.100194
  C      -4.835463     -3.741559      2.258004
  C      -5.285302     -2.463698      1.922700
  C      -4.642623     -1.354837      2.447711
  F      -5.115009     -0.136487      2.109266
  C      -3.534098     -1.462276      3.327782
  C      -2.891524     -0.334089      3.962956
  O      -3.256039      0.872755      3.753433
  C      -1.766621     -0.512403      4.944014
  C      -3.095486     -2.770260      3.618888
  C      -5.902570     11.878990      2.329627
  C      -5.002698     10.665547      2.347540
  O      -3.985541     10.615950      1.663652
  C      -5.381314      9.510195      3.227790
  C      -6.505668      9.532432      4.071452
  C      -6.808156      8.434657      4.872477
  C      -5.976686      7.322875      4.834214
  F      -6.319001      6.261228      5.608809
  C      -4.842204      7.249726      4.008939
  C      -3.902159      6.088484      3.920994
  O      -3.220454      5.926096      2.918559
  C      -3.791934      5.126903      5.118840
  C      -4.577872      8.366124      3.203318
  C      -8.131336     -5.453133      4.170852
  C      -7.126704     -4.544803      4.840623
  O      -6.124749     -5.004434      5.383152
  C      -7.368474     -3.067905      4.805520
  C      -8.472431     -2.504125      4.140180
  C      -8.635531     -1.124241      4.093374
  C      -7.690075     -0.309553      4.704174
  F      -7.899908      1.026207      4.635303
  C      -6.570936     -0.819169      5.384882
  C      -5.473417     -0.008018      6.003068
  O      -4.618830     -0.551651      6.695026
  C      -5.391086      1.491022      5.688687
  C      -6.446418     -2.217288      5.422517
  H      -3.471419     -7.351583      3.602185
  H      -4.963537     -6.360510      3.758956
  H      -4.209881     -6.588200      2.159408
  H      -5.351137     -4.611475      1.850268
  H      -6.137509     -2.312350      1.258983
  H      -0.893614     -0.979295      4.438426
  H      -2.065861     -1.219895      5.743904
  H      -2.240338     -2.935247      4.275804
  H      -5.967371     12.328548      3.333089
  H      -6.926430     11.602818      2.033106
  H      -5.501997     12.616122      1.625813
  H      -7.155259     10.407587      4.107818
  H      -7.684254      8.425322      5.522255
  H      -3.986125      5.689694      6.053107
  H      -4.645867      4.429995      5.016059
  H      -3.710421      8.341586      2.541624
  H      -9.131020     -5.328832      4.615387
  H      -7.810681     -6.494275      4.282338
  H      -8.224208     -5.209199      3.100594
  H      -9.211683     -3.140158      3.652486
  H      -9.486447     -0.664263      3.589398
  H      -6.269369      1.987469      6.144231
  H      -5.526603      1.603737      4.602276
  H      -5.582740     -2.646526      5.932875
  N      -1.555376      2.908417      3.470869
  N      -0.833240      3.134794      2.465832
  H      -1.239072      3.315681      1.539366
  H       0.190749      3.188031      2.545782
90
Coordinates from ORCA-job orca E -6562.052753175659
  N      -1.447323      0.773552      5.507870
  Mo     -2.511518      2.332481      4.959926
  N      -4.164857      2.138881      6.046401
  C      -4.096103      2.510251      7.461015
  C      -2.689063      2.224683      7.975287
  N      -1.681951      2.803182      7.025976
  C      -0.356438      2.138772      7.145068
  C      -0.448894      0.739879      6.550258
  C      -1.538987      4.278759      7.263657
  C      -1.451266      4.949934      5.899704
  N      -2.542126      4.413805      5.128879
  H       0.536689      0.435665      6.150981
  H      -0.715957     -0.008699      7.322885
  H       0.367554      2.753127      6.593412
  H      -0.046952      2.107196      8.202594
  H      -1.512240      6.047084      5.997173
  H      -0.484240      4.720816      5.414782
  H      -2.452134      4.627565      7.764317
  H      -0.686051      4.464950      7.936778
  H      -4.804099      1.911360      8.055563
  H      -4.374090      3.573248      7.607998
  H      -2.543451      1.137625      8.005213
  H      -2.519280      2.636181      8.983770
  C      -4.005294     -6.497852      3.262988
  C      -3.165026     -5.273340      3.514786
  O      -2.061357     -5.338793      4.046128
  C      -3.722084     -3.933194      3.116759
  C      -4.827320     -3.777639      2.263727
  C      -5.274141     -2.501660      1.915358
  C      -4.634721     -1.388937      2.438148
  F      -5.106068     -0.174961      2.088905
  C      -3.532916     -1.492954      3.325694
  C      -2.893646     -0.359202      3.955168
  O      -3.258184      0.842765      3.729838
  C      -1.774069     -0.528027      4.945163
  C      -3.097493     -2.798397      3.630683
  C      -5.901951     11.935245      2.411049
  C      -4.989489     10.730740      2.423034
  O      -3.957864     10.705170      1.760348
  C      -5.373820      9.552932      3.271886
  C      -6.515965      9.545818      4.091823
  C      -6.821546      8.428493      4.864373
  C      -5.975582      7.326956      4.821715
  F      -6.320171      6.247830      5.569745
  C      -4.824302      7.282525      4.018785
  C      -3.868201      6.132039      3.927508
  O      -3.164583      5.999019      2.937159
  C      -3.771120      5.147967      5.109651
  C      -4.557540      8.418388      3.242162
  C      -8.080874     -5.473577      4.218707
  C      -7.086590     -4.542848      4.873640
  O      -6.079867     -4.980472      5.424684
  C      -7.344493     -3.068850      4.813860
  C      -8.450954     -2.526883      4.133518
  C      -8.627511     -1.149615      4.063979
  C      -7.693433     -0.315674      4.668350
  F      -7.912602      1.015853      4.577454
  C      -6.573990     -0.803478      5.364084
  C      -5.491260      0.029367      5.981708
  O      -4.645495     -0.496650      6.697080
  C      -5.405495      1.521420      5.635578
  C      -6.435993     -2.199281      5.422720
  H      -3.481141     -7.383090      3.638716
  H      -4.971058     -6.386505      3.782525
  H      -4.207458     -6.623365      2.187657
  H      -5.341782     -4.649775      1.858893
  H      -6.121775     -2.355278      1.244886
  H      -0.902634     -1.011965      4.454884
  H      -2.088117     -1.216911      5.755426
  H      -2.248151     -2.958198      4.296351
  H      -5.991476     12.363278      3.422116
  H      -6.916060     11.654413      2.086400
  H      -5.494158     12.690572      1.730998
  H      -7.176890     10.412384      4.132406
  H      -7.710223      8.395719      5.496085
  H      -3.965596      5.697377      6.052972
  H      -4.629695      4.459504      4.995950
  H      -3.675867      8.416243      2.598690
  H      -9.082278     -5.351788      4.660339
  H      -7.749101     -6.508986      4.349854
  H      -8.173398     -5.250072      3.143913
  H      -9.181139     -3.177341      3.650958
  H      -9.479794     -0.705886      3.547840
  H      -6.284852      2.029583      6.075448
  H      -5.531128      1.613162      4.546064
  H      -5.571786     -2.611396      5.946600
  N      -1.577838      2.879438      3.422339
  N      -0.877651      3.059008      2.388114
  H      -1.309454      3.267800      1.480153
  H       0.148517      3.046864      2.441686
90
Coordinates from ORCA-job orca E -6562.055658509641
  N      -1.436895      0.767790      5.496947
  Mo     -2.486794      2.334471      4.921062
  N      -4.169318      2.164593      5.978433
  C      -4.114412      2.553327      7.390483
  C      -2.722676      2.245142      7.933348
  N      -1.684122      2.807639      7.008265
  C      -0.371245      2.126262      7.158015
  C      -0.472324      0.726430      6.572219
  C      -1.527811      4.279556      7.249499
  C      -1.428189      4.950382      5.886928
  N      -2.520950      4.426016      5.114274
  H       0.518414      0.398947      6.206359
  H      -0.780995     -0.009729      7.340901
  H       0.369975      2.727093      6.614543
  H      -0.081555      2.097959      8.221060
  H      -1.479046      6.048237      5.984111
  H      -0.460612      4.715170      5.406032
  H      -2.441313      4.638749      7.741460
  H      -0.678679      4.456659      7.929476
  H      -4.841708      1.971364      7.977950
  H      -4.375604      3.621493      7.523659
  H      -2.598340      1.155856      7.969136
  H      -2.568220      2.657838      8.943651
  C      -3.989231     -6.521777      3.310951
  C      -3.147061     -5.297452      3.554363
  O      -2.052302     -5.357243      4.102360
  C      -3.695090     -3.960447      3.132899
  C      -4.790967     -3.811541      2.267425
  C      -5.234974     -2.539683      1.902906
  C      -4.601415     -1.421639      2.422485
  F      -5.072606     -0.212281      2.062572
  C      -3.507524     -1.519245      3.318595
  C      -2.875290     -0.379351      3.944223
  O      -3.242578      0.816310      3.704467
  C      -1.765182     -0.537976      4.945953
  C      -3.074161     -2.821230      3.639922
  C      -5.929651     11.973122      2.500422
  C      -4.998690     10.783409      2.504459
  O      -3.955077     10.787070      1.861449
  C      -5.379641      9.582186      3.321861
  C      -6.536467      9.541209      4.119473
  C      -6.838989      8.404964      4.864677
  C      -5.974187      7.317990      4.816424
  F      -6.313376      6.220134      5.539446
  C      -4.808962      7.307387      4.033963
  C      -3.832253      6.171321      3.937372
  O      -3.107807      6.072020      2.958909
  C      -3.745341      5.164791      5.102911
  C      -4.545463      8.461765      3.285494
  C      -8.096058     -5.468649      4.274360
  C      -7.095612     -4.528805      4.904857
  O      -6.085433     -4.956254      5.456068
  C      -7.350292     -3.055204      4.818802
  C      -8.455119     -2.523321      4.128326
  C      -8.629130     -1.147654      4.031910
  C      -7.693265     -0.305397      4.622661
  F      -7.903761      1.025031      4.506758
  C      -6.577366     -0.784125      5.329597
  C      -5.499234      0.061668      5.940628
  O      -4.665855     -0.450935      6.679204
  C      -5.407735      1.546843      5.566715
  C      -6.441102     -2.177778      5.413118
  H      -3.470549     -7.404023      3.700139
  H      -4.955978     -6.399734      3.825126
  H      -4.187398     -6.659160      2.236869
  H      -5.302988     -4.686755      1.866975
  H      -6.077223     -2.400334      1.224953
  H      -0.892270     -1.035045      4.473500
  H      -2.095444     -1.211266      5.762831
  H      -2.232593     -2.974074      4.316243
  H      -6.044555     12.378200      3.517878
  H      -6.932419     11.683885      2.150335
  H      -5.520669     12.748287      1.844183
  H      -7.211419     10.396166      4.164424
  H      -7.737536      8.345686      5.479462
  H      -3.942716      5.701133      6.054086
  H      -4.606975      4.483593      4.977206
  H      -3.652085      8.485268      2.659222
  H      -9.093947     -5.335283      4.719436
  H      -7.766018     -6.501871      4.424247
  H      -8.193643     -5.266138      3.196320
  H      -9.186010     -3.180569      3.656944
  H      -9.479123     -0.711586      3.506495
  H      -6.288499      2.065554      5.990725
  H      -5.523404      1.621062      4.474918
  H      -5.579776     -2.581727      5.947414
  N      -1.574695      2.847077      3.366173
  N      -0.909171      2.955666      2.295338
  H      -1.368807      3.172970      1.404404
  H       0.114805      2.887870      2.313072
90
Coordinates from ORCA-job orca E -6562.058209007639
  N      -1.441198      0.764389      5.501078
  Mo     -2.471448      2.341908      4.900483
  N      -4.181490      2.194083      5.926061
  C      -4.134943      2.599196      7.334581
  C      -2.758785      2.270084      7.903708
  N      -1.689337      2.814972      7.003099
  C      -0.392258      2.112802      7.181525
  C      -0.509428      0.712514      6.605559
  C      -1.512398      4.284464      7.242178
  C      -1.403327      4.948839      5.877078
  N      -2.504709      4.438474      5.109816
  H       0.483279      0.358397      6.271499
  H      -0.859664     -0.009557      7.369805
  H       0.366437      2.697333      6.644327
  H      -0.119426      2.088447      8.249140
  H      -1.437500      6.048128      5.969139
  H      -0.439530      4.699114      5.396319
  H      -2.421279      4.659291      7.730898
  H      -0.662451      4.450216      7.923701
  H      -4.880302      2.034891      7.916574
  H      -4.379554      3.672185      7.453663
  H      -2.654930      1.179039      7.943582
  H      -2.617783      2.682750      8.916021
  C      -3.996143     -6.531633      3.315699
  C      -3.158581     -5.308532      3.576326
  O      -2.073951     -5.368497      4.143104
  C      -3.696990     -3.970957      3.143958
  C      -4.783369     -3.822104      2.266981
  C      -5.222391     -2.552164      1.894173
  C      -4.592564     -1.433102      2.416560
  F      -5.057812     -0.224716      2.049295
  C      -3.507078     -1.530226      3.321692
  C      -2.877361     -0.387346      3.947099
  O      -3.243665      0.803824      3.697128
  C      -1.776744     -0.541686      4.958204
  C      -3.078609     -2.831625      3.652502
  C      -5.940848     12.004051      2.558282
  C      -4.997547     10.824716      2.559234
  O      -3.946296     10.847173      1.929698
  C      -5.375389      9.609303      3.357122
  C      -6.541614      9.547488      4.138964
  C      -6.843081      8.400972      4.868254
  C      -5.965953      7.323774      4.818930
  F      -6.301924      6.215203      5.528025
  C      -4.791729      7.334058      4.050796
  C      -3.800352      6.207229      3.951897
  O      -3.061400      6.131623      2.982763
  C      -3.721332      5.186856      5.106417
  C      -4.529137      8.498427      3.318796
  C      -8.042390     -5.484525      4.319129
  C      -7.048032     -4.524110      4.925964
  O      -6.029698     -4.929804      5.478233
  C      -7.319988     -3.054182      4.820623
  C      -8.431412     -2.543429      4.125901
  C      -8.622737     -1.171329      4.011318
  C      -7.695223     -0.311464      4.590027
  F      -7.919192      1.015512      4.458322
  C      -6.573850     -0.770499      5.301932
  C      -5.505818      0.094108      5.907789
  O      -4.674625     -0.404691      6.657574
  C      -5.415227      1.573629      5.511672
  C      -6.420332     -2.160114      5.403387
  H      -3.481813     -7.414836      3.708146
  H      -4.970001     -6.413024      3.816868
  H      -4.181516     -6.664626      2.239067
  H      -5.293264     -4.697517      1.864497
  H      -6.058133     -2.414142      1.208195
  H      -0.904284     -1.052301      4.500467
  H      -2.123285     -1.202779      5.778669
  H      -2.243779     -2.983447      4.336987
  H      -6.073704     12.395002      3.578816
  H      -6.935901     11.709643      2.191506
  H      -5.531162     12.791404      1.917288
  H      -7.225272     10.395268      4.184207
  H      -7.748034      8.325715      5.471377
  H      -3.917003      5.718734      6.061313
  H      -4.589000      4.515475      4.974907
  H      -3.628161      8.537439      2.704616
  H      -9.038815     -5.353144      4.767485
  H      -7.700635     -6.511305      4.485682
  H      -8.148581     -5.302724      3.238464
  H      -9.155454     -3.215090      3.664683
  H      -9.478459     -0.752002      3.482061
  H      -6.297826      2.098209      5.924216
  H      -5.524688      1.634245      4.418522
  H      -5.554715     -2.547392      5.942714
  N      -1.581571      2.808056      3.323354
  N      -0.971507      2.815946      2.210475
  H      -1.464706      3.029256      1.337634
  H       0.045906      2.692097      2.179896
90
Coordinates from ORCA-job orca E -6562.060566274730
  N      -1.423556      0.766837      5.504887
  Mo     -2.443866      2.350037      4.887922
  N      -4.176904      2.210790      5.879047
  C      -4.137557      2.627232      7.283957
  C      -2.774651      2.286477      7.877249
  N      -1.680438      2.822493      7.002463
  C      -0.395610      2.107194      7.204942
  C      -0.521782      0.707262      6.634197
  C      -1.490913      4.289976      7.239854
  C      -1.380733      4.947041      5.870752
  N      -2.490218      4.443949      5.111247
  H       0.473212      0.334562      6.328373
  H      -0.904843     -0.004951      7.391961
  H       0.375598      2.680827      6.673889
  H      -0.136366      2.085839      8.275959
  H      -1.403103      6.047318      5.956515
  H      -0.421886      4.685688      5.387322
  H      -2.394538      4.674451      7.730833
  H      -0.637814      4.449333      7.918355
  H      -4.896961      2.076043      7.860613
  H      -4.371560      3.703170      7.391031
  H      -2.682433      1.194784      7.917831
  H      -2.650059      2.697101      8.892503
  C      -3.951933     -6.539534      3.347483
  C      -3.116591     -5.314428      3.600319
  O      -2.038423     -5.368423      4.179136
  C      -3.651880     -3.980575      3.153049
  C      -4.733386     -3.838538      2.269064
  C      -5.174304     -2.572936      1.887832
  C      -4.551808     -1.449265      2.409201
  F      -5.020689     -0.243687      2.037516
  C      -3.470471     -1.539294      3.319267
  C      -2.849456     -0.390085      3.945966
  O      -3.223316      0.795253      3.692976
  C      -1.757015     -0.538169      4.963804
  C      -3.039036     -2.837474      3.658137
  C      -5.979111     12.008608      2.605024
  C      -5.020989     10.841909      2.605246
  O      -3.964937     10.882959      1.984998
  C      -5.389833      9.616027      3.390291
  C      -6.562133      9.534218      4.160463
  C      -6.857088      8.379857      4.879326
  C      -5.966220      7.314240      4.830715
  F      -6.294993      6.197165      5.531269
  C      -4.785614      7.344557      4.073325
  C      -3.777907      6.230393      3.972647
  O      -3.027119      6.177070      3.011033
  C      -3.700912      5.199351      5.116646
  C      -4.529101      8.516501      3.351948
  C      -8.103450     -5.456373      4.346234
  C      -7.090659     -4.501429      4.928604
  O      -6.067917     -4.911663      5.468724
  C      -7.346820     -3.029771      4.810135
  C      -8.456331     -2.513402      4.117989
  C      -8.633967     -1.140699      3.989649
  C      -7.693766     -0.286351      4.554751
  F      -7.900365      1.042635      4.409738
  C      -6.574857     -0.751943      5.265709
  C      -5.499874      0.109652      5.863833
  O      -4.675344     -0.387327      6.622075
  C      -5.404709      1.586703      5.460134
  C      -6.433441     -2.141092      5.379856
  H      -3.437141     -7.418437      3.748182
  H      -4.926821     -6.419822      3.844800
  H      -4.136386     -6.681297      2.272213
  H      -5.238964     -4.716962      1.868618
  H      -6.007261     -2.440827      1.197777
  H      -0.881461     -1.052269      4.516385
  H      -2.113678     -1.196204      5.782557
  H      -2.208687     -2.983548      4.348786
  H      -6.126924     12.389746      3.626783
  H      -6.966838     11.705326      2.226942
  H      -5.573494     12.805920      1.974180
  H      -7.255839     10.373380      4.204489
  H      -7.765946      8.289431      5.473733
  H      -3.893642      5.729348      6.073635
  H      -4.572720      4.534997      4.981278
  H      -3.623334      8.570517      2.746768
  H      -9.092182     -5.307755      4.805069
  H      -7.771753     -6.484978      4.520445
  H      -8.221697     -5.286149      3.265272
  H      -9.190064     -3.181764      3.668197
  H      -9.487578     -0.717595      3.460787
  H      -6.288068      2.114042      5.867553
  H      -5.511325      1.642443      4.366649
  H      -5.570441     -2.532677      5.919209
  N      -1.576420      2.771112      3.290263
  N      -1.043136      2.661617      2.138865
  H      -1.575134      2.864394      1.287877
  H      -0.038092      2.485248      2.052589
90
Coordinates from ORCA-job orca E -6562.062682823333
  N      -1.430935      0.769097      5.521994
  Mo     -2.437769      2.361505      4.894211
  N      -4.185650      2.236103      5.856662
  C      -4.144731      2.664475      7.257783
  C      -2.792474      2.312933      7.868231
  N      -1.677835      2.834837      7.011888
  C      -0.406986      2.101255      7.231798
  C      -0.551957      0.700424      6.669334
  C      -1.469295      4.301331      7.238427
  C      -1.365136      4.941910      5.860161
  N      -2.490146      4.443899      5.117513
  H       0.441090      0.305003      6.386083
  H      -0.963695      0.001365      7.424469
  H       0.376003      2.658475      6.700198
  H      -0.153727      2.084725      8.304400
  H      -1.370573      6.043563      5.931646
  H      -0.416049      4.659887      5.370078
  H      -2.361777      4.700487      7.738605
  H      -0.606030      4.455652      7.904680
  H      -4.915165      2.129151      7.835479
  H      -4.366235      3.743926      7.352306
  H      -2.711542      1.220541      7.911080
  H      -2.680099      2.722834      8.885355
  C      -3.940601     -6.539334      3.328239
  C      -3.117009     -5.311934      3.605276
  O      -2.046584     -5.366063      4.198898
  C      -3.649823     -3.977531      3.157022
  C      -4.726294     -3.835115      2.266630
  C      -5.167129     -2.570088      1.885837
  C      -4.549450     -1.446692      2.413692
  F      -5.016733     -0.240460      2.041082
  C      -3.472750     -1.536803      3.328927
  C      -2.855482     -0.385136      3.960376
  O      -3.233131      0.797285      3.709723
  C      -1.767974     -0.533187      4.980690
  C      -3.041273     -2.834740      3.667829
  C      -5.984077     12.018556      2.618636
  C      -5.021467     10.855623      2.622452
  O      -3.963401     10.901571      2.005505
  C      -5.387412      9.628316      3.406121
  C      -6.562389      9.541681      4.171391
  C      -6.855958      8.386776      4.889863
  C      -5.960328      7.325102      4.845192
  F      -6.287236      6.207593      5.547068
  C      -4.776993      7.359889      4.092468
  C      -3.762533      6.250334      3.993219
  O      -3.003593      6.207067      3.037668
  C      -3.690062      5.215473      5.132195
  C      -4.521129      8.532516      3.371611
  C      -8.055870     -5.459611      4.348664
  C      -7.046480     -4.492682      4.915934
  O      -6.015683     -4.890541      5.450631
  C      -7.318504     -3.023610      4.797022
  C      -8.434960     -2.517949      4.109242
  C      -8.626881     -1.146749      3.980635
  C      -7.692940     -0.283526      4.541786
  F      -7.912429      1.043742      4.395805
  C      -6.567879     -0.738840      5.249986
  C      -5.499411      0.130945      5.847818
  O      -4.668694     -0.360659      6.602902
  C      -5.408721      1.606209      5.437975
  C      -6.411722     -2.126184      5.364977
  H      -3.423854     -7.418919      3.725055
  H      -4.923885     -6.435053      3.812686
  H      -4.111932     -6.670040      2.249280
  H      -5.227744     -4.713584      1.861059
  H      -5.996128     -2.437247      1.191008
  H      -0.892499     -1.051382      4.537550
  H      -2.131881     -1.191283      5.796455
  H      -2.213876     -2.981397      4.362030
  H      -6.138304     12.399357      3.639658
  H      -6.969521     11.712363      2.236701
  H      -5.578899     12.817522      1.989543
  H      -7.259248     10.378525      4.211608
  H      -7.766557      8.293018      5.481149
  H      -3.870181      5.751078      6.088746
  H      -4.570918      4.562922      4.999942
  H      -3.613163      8.589947      2.770262
  H      -9.042365     -5.315740      4.814022
  H      -7.714498     -6.484407      4.526705
  H      -8.184947     -5.297936      3.267544
  H      -9.163681     -3.194060      3.662616
  H      -9.486432     -0.732641      3.454230
  H      -6.292831      2.132088      5.845806
  H      -5.517398      1.658031      4.344612
  H      -5.543714     -2.509772      5.901782
  N      -1.585141      2.721234      3.272700
  N      -1.154997      2.474825      2.094704
  H      -1.731011      2.665488      1.270404
  H      -0.170462      2.237772      1.944491
90
Coordinates from ORCA-job orca E -6562.064219822167
  N      -1.431872      0.774473      5.540652
  Mo     -2.433965      2.372377      4.913849
  N      -4.184582      2.248735      5.856835
  C      -4.141195      2.685131      7.254968
  C      -2.793732      2.331474      7.875300
  N      -1.668188      2.844766      7.028880
  C      -0.407609      2.097093      7.256979
  C      -0.570457      0.695651      6.700746
  C      -1.446093      4.311216      7.242056
  C      -1.356082      4.935781      5.854453
  N      -2.496043      4.435286      5.131974
  H       0.419918      0.281472      6.434905
  H      -1.003569      0.007897      7.454375
  H       0.382862      2.639753      6.721022
  H      -0.153630      2.084087      8.329475
  H      -1.349493      6.038166      5.909909
  H      -0.417546      4.634986      5.355840
  H      -2.325983      4.720274      7.756887
  H      -0.569063      4.465292      7.889605
  H      -4.917577      2.162754      7.837018
  H      -4.353873      3.767141      7.338656
  H      -2.716197      1.238854      7.920140
  H      -2.692124      2.740549      8.894003
  C      -3.890032     -6.531251      3.295425
  C      -3.076926     -5.298779      3.580389
  O      -2.009316     -5.348763      4.180113
  C      -3.618010     -3.965832      3.138335
  C      -4.696144     -3.824942      2.249306
  C      -5.144997     -2.560059      1.876688
  C      -4.534161     -1.436515      2.412095
  F      -5.009051     -0.230358      2.046597
  C      -3.456840     -1.525688      3.326733
  C      -2.848238     -0.372655      3.968688
  O      -3.239296      0.807099      3.734279
  C      -1.762116     -0.523457      4.988115
  C      -3.016828     -2.822282      3.656412
  C      -5.997339     12.006135      2.599689
  C      -5.029592     10.847207      2.614928
  O      -3.969367     10.894748      2.001208
  C      -5.392792      9.623743      3.404834
  C      -6.570716      9.535843      4.165570
  C      -6.860616      8.383712      4.890024
  C      -5.959664      7.326444      4.856029
  F      -6.284012      6.212732      5.565439
  C      -4.773134      7.361810      4.108025
  C      -3.752590      6.258465      4.017250
  O      -2.982513      6.220598      3.070036
  C      -3.685797      5.223703      5.154179
  C      -4.520300      8.532052      3.381156
  C      -8.085995     -5.440941      4.346630
  C      -7.062891     -4.481131      4.901558
  O      -6.024234     -4.886917      5.415152
  C      -7.328575     -3.010653      4.790088
  C      -8.448287     -2.497062      4.113716
  C      -8.633969     -1.124243      3.992121
  C      -7.691673     -0.267700      4.548368
  F      -7.906909      1.060959      4.408020
  C      -6.563041     -0.730103      5.246159
  C      -5.488238      0.132468      5.840080
  O      -4.655158     -0.360619      6.592126
  C      -5.402969      1.610196      5.438259
  C      -6.412554     -2.119274      5.354760
  H      -3.364473     -7.409175      3.684363
  H      -4.874131     -6.441770      3.781233
  H      -4.062065     -6.654953      2.215526
  H      -5.191635     -4.704255      1.838172
  H      -5.974750     -2.427282      1.182572
  H      -0.884026     -1.034632      4.541345
  H      -2.125069     -1.193459      5.794672
  H      -2.188310     -2.968627      4.349626
  H      -6.158276     12.392540      3.617704
  H      -6.979882     11.693497      2.215142
  H      -5.593016     12.803297      1.967702
  H      -7.271897     10.369548      4.197258
  H      -7.773098      8.289317      5.478540
  H      -3.849563      5.766409      6.109493
  H      -4.575543      4.582233      5.028189
  H      -3.610092      8.590595      2.783304
  H      -9.065089     -5.291644      4.825969
  H      -7.748972     -6.468469      4.517154
  H      -8.229837     -5.276175      3.267647
  H      -9.184035     -3.168266      3.671014
  H      -9.496047     -0.704432      3.474194
  H      -6.288639      2.129400      5.851411
  H      -5.515182      1.666162      4.345600
  H      -5.542701     -2.509776      5.883503
  N      -1.590770      2.677650      3.279223
  N      -1.259281      2.318486      2.092281
  H      -1.867934      2.510422      1.293033
  H      -0.302481      2.016790      1.892741
90
Coordinates from ORCA-job orca E -6562.065158766725
  N      -1.458520      0.771972      5.566521
  Mo     -2.455589      2.378803      4.948839
  N      -4.197155      2.265283      5.892714
  C      -4.144346      2.711106      7.287905
  C      -2.797348      2.350269      7.907446
  N      -1.668044      2.846385      7.055656
  C      -0.417859      2.080152      7.280878
  C      -0.606205      0.678999      6.731898
  C      -1.425639      4.312580      7.251563
  C      -1.353843      4.923077      5.855048
  N      -2.512178      4.420482      5.157308
  H       0.377788      0.244160      6.475101
  H      -1.056084      0.003494      7.486971
  H       0.377507      2.604993      6.734244
  H      -0.155159      2.069901      8.351311
  H      -1.334126      6.025611      5.894443
  H      -0.428171      4.602069      5.345519
  H      -2.287987      4.734844      7.785396
  H      -0.530293      4.463532      7.874111
  H      -4.924508      2.205881      7.880024
  H      -4.342498      3.796670      7.360636
  H      -2.727277      1.257338      7.958422
  H      -2.695250      2.761964      8.925150
  C      -3.879319     -6.513247      3.201735
  C      -3.078316     -5.279583      3.516778
  O      -2.011011     -5.333654      4.117254
  C      -3.627518     -3.942860      3.097050
  C      -4.711719     -3.793730      2.216590
  C      -5.167394     -2.524592      1.864819
  C      -4.556958     -1.406984      2.413121
  F      -5.037012     -0.197467      2.065144
  C      -3.474925     -1.505291      3.321163
  C      -2.870091     -0.358521      3.978971
  O      -3.275843      0.821212      3.772564
  C      -1.778623     -0.518653      4.991474
  C      -3.027921     -2.804266      3.628835
  C      -5.992988     11.981513      2.528966
  C      -5.024333     10.823324      2.565037
  O      -3.963262     10.861512      1.951847
  C      -5.387743      9.612892      3.374827
  C      -6.567162      9.535603      4.134865
  C      -6.855431      8.394361      4.877281
  C      -5.952988      7.337865      4.862023
  F      -6.276736      6.236348      5.589775
  C      -4.764820      7.362268      4.115720
  C      -3.743623      6.259794      4.042984
  O      -2.961145      6.216238      3.106346
  C      -3.689320      5.230460      5.184764
  C      -4.513480      8.522170      3.371058
  C      -8.031849     -5.446976      4.338869
  C      -7.011151     -4.480702      4.888257
  O      -5.963259     -4.880530      5.387961
  C      -7.296357     -3.012413      4.797156
  C      -8.425815     -2.504479      4.131885
  C      -8.627861     -1.132370      4.028720
  C      -7.693861     -0.270706      4.591316
  F      -7.926478      1.056158      4.466455
  C      -6.556656     -0.726603      5.279421
  C      -5.488410      0.139964      5.877122
  O      -4.640464     -0.352853      6.612601
  C      -5.416587      1.620555      5.483476
  C      -6.389955     -2.115998      5.369784
  H      -3.345019     -7.395516      3.568624
  H      -4.864531     -6.445783      3.689562
  H      -4.050079     -6.611999      2.118811
  H      -5.205763     -4.669269      1.795404
  H      -6.001013     -2.384357      1.176609
  H      -0.898351     -1.014375      4.531343
  H      -2.132144     -1.208318      5.785365
  H      -2.194611     -2.957783      4.315037
  H      -6.156605     12.383970      3.540575
  H      -6.974433     11.661709      2.146834
  H      -5.587881     12.769035      1.885342
  H      -7.270008     10.368596      4.151965
  H      -7.768753      8.308308      5.466170
  H      -3.830916      5.781790      6.138290
  H      -4.590052      4.602817      5.069879
  H      -3.602019      8.572782      2.774007
  H      -9.007242     -5.308946      4.829624
  H      -7.684040     -6.472573      4.499545
  H      -8.188736     -5.277372      3.262223
  H      -9.155219     -3.179154      3.683603
  H      -9.497160     -0.716915      3.518978
  H      -6.301225      2.130877      5.909188
  H      -5.539318      1.682726      4.392248
  H      -5.512884     -2.502725      5.889815
  N      -1.592520      2.641191      3.306222
  N      -1.310309      2.236449      2.118569
  H      -1.915497      2.464132      1.325727
  H      -0.380275      1.866708      1.905037
90
Coordinates from ORCA-job orca E -6562.065916352132
  N      -1.495778      0.766436      5.589310
  Mo     -2.480519      2.381891      4.972887
  N      -4.213167      2.280171      5.925218
  C      -4.155025      2.742987      7.315958
  C      -2.809590      2.374513      7.935981
  N      -1.674253      2.845681      7.075125
  C      -0.438428      2.056494      7.301811
  C      -0.660036      0.656042      6.764810
  C      -1.405080      4.310047      7.255228
  C      -1.344788      4.912487      5.854460
  N      -2.518036      4.414933      5.177336
  H       0.314573      0.191769      6.524035
  H      -1.136487      0.000759      7.521876
  H       0.365266      2.558116      6.745280
  H      -0.169750      2.049666      8.370847
  H      -1.310980      6.014627      5.883781
  H      -0.429960      4.573937      5.335879
  H      -2.250051      4.748233      7.803945
  H      -0.494418      4.451473      7.857665
  H      -4.941134      2.259102      7.917468
  H      -4.334709      3.832731      7.373486
  H      -2.752786      1.281250      7.999126
  H      -2.702589      2.794577      8.949845
  C      -3.871216     -6.493539      3.096201
  C      -3.082955     -5.258466      3.440096
  O      -2.018303     -5.314017      4.045081
  C      -3.643353     -3.918642      3.044281
  C      -4.733153     -3.761414      2.172381
  C      -5.196549     -2.488593      1.841205
  C      -4.587406     -1.376387      2.402259
  F      -5.072092     -0.165059      2.069724
  C      -3.501895     -1.484261      3.305307
  C      -2.901690     -0.344928      3.980797
  O      -3.323927      0.833461      3.804030
  C      -1.803852     -0.515399      4.987033
  C      -3.047314     -2.784821      3.591278
  C      -5.986818     11.966153      2.461616
  C      -5.013207     10.812356      2.519460
  O      -3.948723     10.846106      1.911931
  C      -5.376937      9.611884      3.344488
  C      -6.561216      9.539311      4.098095
  C      -6.846517      8.406449      4.854637
  C      -5.938897      7.354035      4.860134
  F      -6.261436      6.263374      5.603363
  C      -4.745931      7.373057      4.120341
  C      -3.720440      6.275008      4.067431
  O      -2.917105      6.236016      3.148386
  C      -3.682467      5.245035      5.209368
  C      -4.497692      8.525524      3.362514
  C      -7.965754     -5.467729      4.350370
  C      -6.951893     -4.492351      4.898644
  O      -5.891897     -4.883034      5.379651
  C      -7.257883     -3.027396      4.822078
  C      -8.396914     -2.529864      4.163394
  C      -8.617491     -1.159804      4.074176
  C      -7.694374     -0.289159      4.641998
  F      -7.948526      1.034348      4.531492
  C      -6.548244     -0.733614      5.322953
  C      -5.488596      0.142310      5.920880
  O      -4.637813     -0.341173      6.659183
  C      -5.433043      1.624274      5.527869
  C      -6.364041     -2.122403      5.400096
  H      -3.327835     -7.379276      3.441177
  H      -4.855339     -6.446206      3.589212
  H      -4.042290     -6.568081      2.011206
  H      -5.225362     -4.633207      1.740563
  H      -6.033480     -2.342241      1.157962
  H      -0.921412     -0.995135      4.514267
  H      -2.149163     -1.225544      5.766465
  H      -2.209900     -2.944914      4.271516
  H      -6.158953     12.380341      3.467358
  H      -6.963877     11.636083      2.076149
  H      -5.580720     12.747526      1.810864
  H      -7.269325     10.368393      4.099742
  H      -7.762956      8.324209      5.439870
  H      -3.806957      5.798997      6.164094
  H      -4.593795      4.631983      5.102167
  H      -3.582189      8.572917      2.770621
  H      -8.938891     -5.344679      4.850084
  H      -7.604237     -6.490287      4.501039
  H      -8.132667     -5.292499      3.275792
  H      -9.118441     -3.210448      3.710779
  H      -9.494514     -0.751774      3.570939
  H      -6.318970      2.127599      5.958584
  H      -5.562588      1.685089      4.437277
  H      -5.479881     -2.501385      5.914839
  N      -1.615686      2.606668      3.341642
  N      -1.343940      2.178399      2.155978
  H      -1.930356      2.433382      1.358483
  H      -0.438757      1.744850      1.961464
90
Coordinates from ORCA-job orca E -6562.066633100980
  N      -1.524952      0.755209      5.607698
  Mo     -2.504895      2.378867      4.998047
  N      -4.226377      2.293134      5.967694
  C      -4.158176      2.765071      7.355444
  C      -2.812268      2.383587      7.969464
  N      -1.678138      2.834066      7.095622
  C      -0.451923      2.027551      7.316120
  C      -0.698545      0.629074      6.786802
  C      -1.389592      4.296814      7.265664
  C      -1.345310      4.897474      5.863122
  N      -2.530893      4.401453      5.202867
  H       0.267722      0.144088      6.553364
  H      -1.192346     -0.012315      7.544945
  H       0.354135      2.512985      6.748787
  H      -0.174689      2.022559      8.382954
  H      -1.305274      5.999110      5.887948
  H      -0.439680      4.550875      5.334293
  H      -2.218607      4.744188      7.831030
  H      -0.464690      4.430071      7.848036
  H      -4.948056      2.298431      7.965036
  H      -4.319298      3.857779      7.404468
  H      -2.767085      1.290391      8.041359
  H      -2.693814      2.809705      8.979459
  C      -3.877592     -6.471256      3.003383
  C      -3.089419     -5.239151      3.359647
  O      -2.024069     -5.299896      3.962234
  C      -3.655539     -3.895221      2.985635
  C      -4.753203     -3.728572      2.125864
  C      -5.223943     -2.452404      1.817488
  C      -4.613616     -1.346347      2.389708
  F      -5.105097     -0.132529      2.079619
  C      -3.521130     -1.464570      3.282721
  C      -2.925491     -0.335239      3.976813
  O      -3.363075      0.842301      3.829854
  C      -1.817756     -0.514546      4.973000
  C      -3.058764     -2.767477      3.544467
  C      -5.992979     11.927375      2.379682
  C      -5.014819     10.779036      2.461361
  O      -3.949040     10.804781      1.856302
  C      -5.376516      9.592311      3.307961
  C      -6.563408      9.528239      4.058342
  C      -6.845934      8.408095      4.834528
  C      -5.933808      7.359643      4.862565
  F      -6.254822      6.282648      5.625177
  C      -4.737802      7.370527      4.126841
  C      -3.707645      6.275786      4.095533
  O      -2.885585      6.238817      3.193457
  C      -3.687288      5.244301      5.237429
  C      -4.492848      8.510933      3.350122
  C      -7.920599     -5.471255      4.362660
  C      -6.911717     -4.490500      4.911126
  O      -5.844612     -4.874404      5.380878
  C      -7.232031     -3.027775      4.847581
  C      -8.377190     -2.536424      4.193924
  C      -8.611579     -1.168195      4.116910
  C      -7.696679     -0.292738      4.691809
  F      -7.964304      1.028753      4.593949
  C      -6.544999     -0.731088      5.367154
  C      -5.491760      0.151019      5.968738
  O      -4.635734     -0.329589      6.702161
  C      -5.450900      1.635577      5.584398
  C      -6.347449     -2.118666      5.431501
  H      -3.329660     -7.361067      3.329994
  H      -4.856075     -6.432204      3.507875
  H      -4.058538     -6.529649      1.919202
  H      -5.247006     -4.595538      1.686183
  H      -6.067214     -2.299318      1.143748
  H      -0.931770     -0.969530      4.482875
  H      -2.147296     -1.249122      5.736007
  H      -2.216787     -2.934972      4.217085
  H      -6.170677     12.358001      3.377448
  H      -6.966730     11.585740      1.996028
  H      -5.587641     12.698940      1.716915
  H      -7.275819     10.353437      4.042575
  H      -7.763865      8.332615      5.418220
  H      -3.801400      5.798013      6.193551
  H      -4.604607      4.640877      5.133050
  H      -3.574800      8.552013      2.761562
  H      -8.892630     -5.357938      4.866634
  H      -7.550105     -6.491423      4.507538
  H      -8.092425     -5.292694      3.289418
  H      -9.092313     -3.220159      3.736137
  H      -9.493122     -0.764371      3.618290
  H      -6.333055      2.131912      6.029818
  H      -5.594453      1.703658      4.496038
  H      -5.458891     -2.492851      5.942385
  N      -1.601047      2.589410      3.377922
  N      -1.298346      2.186463      2.191987
  H      -1.836020      2.498576      1.380325
  H      -0.411983      1.704042      2.024166
90
Coordinates from ORCA-job orca E -6562.067332666130
  N      -1.567252      0.740082      5.627081
  Mo     -2.530400      2.376073      5.013167
  N      -4.247886      2.313339      6.000702
  C      -4.167349      2.800033      7.383360
  C      -2.825234      2.402034      7.994054
  N      -1.687298      2.823992      7.110073
  C      -0.477538      1.993245      7.332388
  C      -0.758200      0.596899      6.815163
  C      -1.370819      4.282943      7.271233
  C      -1.339146      4.883021      5.869209
  N      -2.537446      4.397165      5.224709
  H       0.195783      0.081894      6.596381
  H      -1.279952     -0.021728      7.573774
  H       0.335310      2.455809      6.755763
  H      -0.196267      1.991813      8.398184
  H      -1.289861      5.984149      5.893364
  H      -0.443431      4.528997      5.328973
  H      -2.182303      4.743900      7.850923
  H      -0.433693      4.401174      7.837099
  H      -4.963265      2.354105      8.000045
  H      -4.305952      3.895722      7.421245
  H      -2.798986      1.309323      8.078026
  H      -2.691442      2.837697      8.997987
  C      -3.910891     -6.446908      2.905433
  C      -3.125193     -5.220285      3.285691
  O      -2.060912     -5.289351      3.888302
  C      -3.690010     -3.870805      2.928538
  C      -4.789352     -3.692392      2.073770
  C      -5.263045     -2.413192      1.784802
  C      -4.652925     -1.314052      2.370957
  F      -5.146783     -0.097339      2.081176
  C      -3.558290     -1.444629      3.259348
  C      -2.965411     -0.325955      3.971951
  O      -3.411856      0.851073      3.847334
  C      -1.850865     -0.514902      4.960713
  C      -3.092960     -2.750553      3.501429
  C      -5.997711     11.896811      2.300463
  C      -5.013290     10.756211      2.405096
  O      -3.947469     10.774759      1.800508
  C      -5.369501      9.583986      3.275121
  C      -6.557976      9.527426      4.023422
  C      -6.835970      8.421633      4.821258
  C      -5.917809      7.378928      4.871941
  F      -6.234783      6.317002      5.656729
  C      -4.719977      7.382845      4.138920
  C      -3.682525      6.292498      4.128166
  O      -2.839670      6.264232      3.245464
  C      -3.683650      5.253234      5.263664
  C      -4.479588      8.509779      3.341919
  C      -7.816692     -5.490688      4.376428
  C      -6.823819     -4.494264      4.925507
  O      -5.749363     -4.859908      5.392231
  C      -7.173428     -3.037318      4.875039
  C      -8.327137     -2.563540      4.223256
  C      -8.589545     -1.200009      4.157043
  C      -7.693415     -0.311323      4.742180
  F      -7.986363      1.005725      4.657206
  C      -6.534672     -0.732961      5.415575
  C      -5.499196      0.166691      6.025460
  O      -4.638665     -0.302958      6.759894
  C      -5.475884      1.650406      5.637126
  C      -6.308853     -2.116158      5.468189
  H      -3.360472     -7.341879      3.212927
  H      -4.886616     -6.419079      3.415698
  H      -4.096306     -6.483937      1.821381
  H      -5.284603     -4.553422      1.624136
  H      -6.108664     -2.252619      1.115959
  H      -0.962854     -0.949934      4.456547
  H      -2.170392     -1.270840      5.706693
  H      -2.250972     -2.926764      4.171539
  H      -6.180249     12.344554      3.289615
  H      -6.968334     11.541987      1.921167
  H      -5.595397     12.658121      1.624196
  H      -7.275840     10.347259      3.989720
  H      -7.754354      8.352422      5.404758
  H      -3.792513      5.804296      6.222526
  H      -4.607610      4.661641      5.157518
  H      -3.559605      8.544797      2.756042
  H      -8.790656     -5.394561      4.879847
  H      -7.428375     -6.504360      4.520226
  H      -7.990570     -5.313806      3.303323
  H      -9.027066     -3.257529      3.757704
  H      -9.477845     -0.809175      3.660319
  H      -6.353857      2.142419      6.094858
  H      -5.636473      1.716904      4.551045
  H      -5.414201     -2.476347      5.978414
  N      -1.598563      2.562354      3.411768
  N      -1.268102      2.161267      2.233002
  H      -1.753449      2.518206      1.407302
  H      -0.405760      1.627926      2.097329
90
Coordinates from ORCA-job orca E -6562.067981834344
  N      -1.592819      0.727111      5.645551
  Mo     -2.540789      2.373166      5.026568
  N      -4.259387      2.324781      6.027927
  C      -4.168762      2.818112      7.406652
  C      -2.829477      2.410291      8.014089
  N      -1.690210      2.814172      7.123263
  C      -0.492817      1.966560      7.348171
  C      -0.797753      0.571693      6.839887
  C      -1.354045      4.270646      7.279272
  C      -1.333834      4.871906      5.878507
  N      -2.540171      4.393640      5.243201
  H       0.146821      0.035462      6.632011
  H      -1.339721     -0.029466      7.598344
  H       0.324522      2.413005      6.765324
  H      -0.209875      1.968377      8.413527
  H      -1.281777      5.972890      5.905651
  H      -0.445004      4.517375      5.328101
  H      -2.152122      4.739997      7.870775
  H      -0.408806      4.376705      7.833658
  H      -4.968118      2.383193      8.026762
  H      -4.294523      3.915164      7.439235
  H      -2.814712      1.318295      8.105555
  H      -2.682154      2.852362      9.013285
  C      -3.910224     -6.423512      2.820896
  C      -3.126708     -5.199607      3.213156
  O      -2.063638     -5.272973      3.816830
  C      -3.696226     -3.847239      2.874623
  C      -4.798546     -3.661343      2.025403
  C      -5.279919     -2.381467      1.756742
  C      -4.674360     -1.287317      2.356925
  F      -5.175533     -0.068921      2.089574
  C      -3.575600     -1.425412      3.239023
  C      -2.985107     -0.314553      3.965746
  O      -3.435126      0.862956      3.854952
  C      -1.867987     -0.511888      4.949902
  C      -3.103249     -2.732797      3.461830
  C      -6.017473     11.855643      2.227615
  C      -5.027172     10.722610      2.349212
  O      -3.964686     10.733901      1.738888
  C      -5.373105      9.565728      3.243971
  C      -6.559300      9.516853      3.995941
  C      -6.830113      8.426260      4.816456
  C      -5.906185      7.389579      4.884816
  F      -6.215852      6.342223      5.692291
  C      -4.710154      7.386653      4.149222
  C      -3.665279      6.301109      4.153683
  O      -2.803321      6.285361      3.289092
  C      -3.681206      5.255326      5.282386
  C      -4.476314      8.499032      3.330433
  C      -7.789899     -5.491460      4.395725
  C      -6.797088     -4.491041      4.936328
  O      -5.710718     -4.849661      5.380121
  C      -7.157366     -3.036234      4.897991
  C      -8.321209     -2.567398      4.262110
  C      -8.596355     -1.205931      4.206624
  C      -7.700936     -0.314614      4.788592
  F      -8.006013      1.001151      4.718852
  C      -6.532150     -0.732550      5.446665
  C      -5.498613      0.172687      6.055787
  O      -4.638499     -0.293947      6.792145
  C      -5.487866      1.658417      5.675704
  C      -6.292935     -2.113044      5.488087
  H      -3.354965     -7.320038      3.114492
  H      -4.882846     -6.406831      3.337079
  H      -4.103501     -6.447447      1.738193
  H      -5.291146     -4.517905      1.564710
  H      -6.128609     -2.216204      1.093107
  H      -0.977193     -0.927200      4.433469
  H      -2.178586     -1.288677      5.677874
  H      -2.259167     -2.914554      4.127437
  H      -6.199377     12.320902      3.208540
  H      -6.987713     11.488998      1.859175
  H      -5.621796     12.605985      1.535478
  H      -7.282014     10.331516      3.947557
  H      -7.746162      8.363669      5.403973
  H      -3.793713      5.805222      6.241843
  H      -4.607423      4.669016      5.170190
  H      -3.557388      8.527504      2.742972
  H      -8.758659     -5.404537      4.910114
  H      -7.392411     -6.502770      4.530576
  H      -7.977732     -5.311652      3.325563
  H      -9.020116     -3.264475      3.799918
  H      -9.493021     -0.818752      3.722651
  H      -6.361888      2.143186      6.148834
  H      -5.665489      1.731647      4.592810
  H      -5.391146     -2.469442      5.987775
  N      -1.571301      2.544563      3.448326
  N      -1.206614      2.145478      2.279779
  H      -1.618183      2.557092      1.439445
  H      -0.372053      1.563022      2.174178
90
Coordinates from ORCA-job orca E -6562.068575353052
  N      -1.615225      0.710711      5.671457
  Mo     -2.537296      2.369592      5.041896
  N      -4.261673      2.341400      6.051969
  C      -4.161370      2.844253      7.424445
  C      -2.827060      2.425219      8.032617
  N      -1.683386      2.805997      7.136688
  C      -0.501513      1.938612      7.368780
  C      -0.833205      0.544907      6.871496
  C      -1.323133      4.258877      7.284615
  C      -1.312886      4.858515      5.883214
  N      -2.528583      4.389720      5.258249
  H       0.100900     -0.013168      6.674552
  H      -1.393791     -0.036638      7.631434
  H       0.322843      2.364950      6.780872
  H      -0.218693      1.944551      8.434136
  H      -1.256198      5.959360      5.912452
  H      -0.432332      4.501197      5.322013
  H      -2.106414      4.740531      7.886094
  H      -0.370476      4.351302      7.828103
  H      -4.965466      2.423343      8.048592
  H      -4.274164      3.943099      7.448987
  H      -2.826946      1.334209      8.133549
  H      -2.667665      2.874657      9.026633
  C      -3.921670     -6.398880      2.744133
  C      -3.141423     -5.179669      3.156001
  O      -2.078581     -5.260894      3.759145
  C      -3.711847     -3.823615      2.835441
  C      -4.815634     -3.628032      1.989910
  C      -5.300096     -2.346249      1.740137
  C      -4.695874     -1.259009      2.353921
  F      -5.200544     -0.037777      2.106591
  C      -3.594419     -1.406828      3.231229
  C      -3.000968     -0.303025      3.967756
  O      -3.444761      0.877322      3.862025
  C      -1.887574     -0.513105      4.952398
  C      -3.120225     -2.716496      3.436873
  C      -6.075247     11.790563      2.151734
  C      -5.073149     10.669740      2.285590
  O      -4.020754     10.675015      1.657740
  C      -5.394450      9.532347      3.213489
  C      -6.570679      9.489720      3.981064
  C      -6.820859      8.417470      4.831432
  C      -5.885954      7.391743      4.912756
  F      -6.175323      6.361462      5.749791
  C      -4.698647      7.383649      4.163759
  C      -3.641738      6.308948      4.179874
  O      -2.772447      6.300361      3.321853
  C      -3.663056      5.258449      5.302382
  C      -4.484573      8.477955      3.315368
  C      -7.766259     -5.474695      4.387465
  C      -6.773147     -4.472598      4.923364
  O      -5.681704     -4.828527      5.357249
  C      -7.142341     -3.019840      4.901386
  C      -8.312253     -2.551404      4.278018
  C      -8.597046     -1.191112      4.238002
  C      -7.703571     -0.301236      4.824163
  F      -8.016863      1.014034      4.771766
  C      -6.528793     -0.719522      5.470513
  C      -5.499261      0.186921      6.086194
  O      -4.638650     -0.280928      6.821288
  C      -5.490900      1.673317      5.709070
  C      -6.279036     -2.098048      5.497080
  H      -3.363157     -7.298034      3.023015
  H      -4.894388     -6.395828      3.260166
  H      -4.117733     -6.405729      1.661821
  H      -5.306784     -4.478769      1.517366
  H      -6.150269     -2.173686      1.080290
  H      -0.995526     -0.916352      4.427374
  H      -2.196480     -1.306326      5.662921
  H      -2.274758     -2.905545      4.098516
  H      -6.248046     12.278047      3.123357
  H      -7.047471     11.406776      1.806914
  H      -5.696957     12.527302      1.435749
  H      -7.302282     10.295561      3.921351
  H      -7.728510      8.360309      5.432178
  H      -3.773281      5.809567      6.261517
  H      -4.592541      4.677246      5.189735
  H      -3.572571      8.501074      2.717438
  H      -8.732415     -5.392829      4.907253
  H      -7.364475     -6.485012      4.516767
  H      -7.961451     -5.292857      3.319032
  H      -9.009204     -3.248583      3.813129
  H      -9.498978     -0.804414      3.763818
  H      -6.360945      2.154735      6.193724
  H      -5.682714      1.749197      4.628621
  H      -5.373194     -2.454451      5.988678
  N      -1.524335      2.519429      3.492064
  N      -1.128774      2.109416      2.337259
  H      -1.455746      2.568761      1.484393
  H      -0.330738      1.473597      2.260477
90
Coordinates from ORCA-job orca E -6562.069119380488
  N      -1.638835      0.694814      5.699805
  Mo     -2.529723      2.365501      5.053754
  N      -4.262781      2.357677      6.065972
  C      -4.156812      2.870032      7.432593
  C      -2.826340      2.445077      8.043984
  N      -1.677544      2.803580      7.143560
  C      -0.510214      1.918761      7.386584
  C      -0.866233      0.524532      6.904153
  C      -1.295866      4.253475      7.279624
  C      -1.293810      4.848825      5.875723
  N      -2.517184      4.385028      5.259857
  H       0.058496     -0.052424      6.717602
  H      -1.440403     -0.037207      7.668663
  H       0.321462      2.323716      6.793931
  H      -0.228295      1.931628      8.452135
  H      -1.234390      5.949685      5.904998
  H      -0.420273      4.488575      5.306068
  H      -2.065825      4.747995      7.888038
  H      -0.336884      4.335850      7.813122
  H      -4.964118      2.461298      8.061407
  H      -4.261726      3.970091      7.448944
  H      -2.837877      1.355235      8.155692
  H      -2.659290      2.902765      9.032962
  C      -3.929402     -6.379200      2.677042
  C      -3.154438     -5.163794      3.109542
  O      -2.092114     -5.251793      3.713206
  C      -3.727634     -3.805148      2.807264
  C      -4.832521     -3.601088      1.964545
  C      -5.318782     -2.317036      1.731112
  C      -4.714625     -1.236492      2.356635
  F      -5.221455     -0.012999      2.124498
  C      -3.611897     -1.393219      3.231059
  C      -3.014006     -0.294787      3.973866
  O      -3.445221      0.889930      3.864937
  C      -1.909335     -0.518253      4.964939
  C      -3.137424     -2.704737      3.422039
  C      -6.130381     11.735029      2.094781
  C      -5.122923     10.618934      2.229325
  O      -4.086438     10.612159      1.575091
  C      -5.418195      9.502751      3.190444
  C      -6.577704      9.473140      3.983664
  C      -6.805592      8.419423      4.862798
  C      -5.865588      7.398635      4.946342
  F      -6.133581      6.386962      5.812830
  C      -4.693498      7.378282      4.173803
  C      -3.631882      6.308398      4.189403
  O      -2.757734      6.308555      3.335752
  C      -3.646761      5.259428      5.311690
  C      -4.500882      8.454822      3.297200
  C      -7.747171     -5.459678      4.372492
  C      -6.756519     -4.456853      4.911470
  O      -5.657992     -4.810650      5.329751
  C      -7.132568     -3.005915      4.902330
  C      -8.308834     -2.537888      4.291691
  C      -8.601071     -1.178480      4.265624
  C      -7.707567     -0.289629      4.852461
  F      -8.028432      1.024558      4.815538
  C      -6.525753     -0.707342      5.485810
  C      -5.497740      0.199492      6.103410
  O      -4.638246     -0.267962      6.840427
  C      -5.490867      1.686513      5.727874
  C      -6.268340     -2.084714      5.500043
  H      -3.367650     -7.280382      2.942816
  H      -4.904162     -6.390215      3.189344
  H      -4.124406     -6.369500      1.594385
  H      -5.321817     -4.446520      1.480632
  H      -6.169603     -2.137156      1.073852
  H      -1.016035     -0.915906      4.436287
  H      -2.221686     -1.322549      5.661035
  H      -2.290438     -2.900359      4.079981
  H      -6.281178     12.244496      3.058902
  H      -7.110072     11.341970      1.782725
  H      -5.771678     12.456026      1.353100
  H      -7.313548     10.275018      3.921150
  H      -7.699729      8.372749      5.484526
  H      -3.748339      5.814645      6.269398
  H      -4.578685      4.680557      5.206274
  H      -3.601195      8.467831      2.680677
  H      -8.711836     -5.386618      4.896482
  H      -7.340346     -6.469259      4.491814
  H      -7.947834     -5.270597      3.306138
  H      -9.005692     -3.235202      3.826538
  H      -9.508932     -0.792606      3.802040
  H      -6.360172      2.163519      6.219230
  H      -5.691018      1.762914      4.648746
  H      -5.357802     -2.441459      5.982440
  N      -1.466493      2.489900      3.536253
  N      -1.033984      2.067445      2.399424
  H      -1.268796      2.565067      1.537136
  H      -0.279062      1.377657      2.352486
90
Coordinates from ORCA-job orca E -6562.069621092353
  N      -1.652817      0.675729      5.734052
  Mo     -2.502429      2.361507      5.071022
  N      -4.247686      2.374786      6.078450
  C      -4.139373      2.891476      7.441606
  C      -2.813062      2.460077      8.057277
  N      -1.657346      2.797900      7.154986
  C      -0.506012      1.894367      7.410127
  C      -0.887361      0.500572      6.941420
  C      -1.254248      4.243817      7.282408
  C      -1.256467      4.838884      5.877384
  N      -2.485883      4.380859      5.265868
  H       0.027786     -0.094269      6.763677
  H      -1.472547     -0.042355      7.711039
  H       0.334395      2.276915      6.815032
  H      -0.226442      1.912658      8.476234
  H      -1.193976      5.939561      5.909772
  H      -0.388755      4.476448      5.300940
  H      -2.011849      4.750344      7.896567
  H      -0.290038      4.315404      7.807651
  H      -4.949832      2.493066      8.073674
  H      -4.237881      3.992397      7.453884
  H      -2.836246      1.371319      8.177048
  H      -2.641754      2.923268      9.042890
  C      -3.945307     -6.353324      2.614360
  C      -3.168933     -5.144298      3.062399
  O      -2.107636     -5.242473      3.666810
  C      -3.739866     -3.781382      2.777694
  C      -4.843653     -3.564539      1.936270
  C      -5.325728     -2.275906      1.718197
  C      -4.717745     -1.204863      2.356296
  F      -5.221891      0.022387      2.137790
  C      -3.616541     -1.375190      3.230175
  C      -3.012300     -0.284728      3.981338
  O      -3.423450      0.906464      3.866401
  C      -1.922801     -0.527595      4.985171
  C      -3.147553     -2.690105      3.406734
  C      -6.238105     11.636629      2.022569
  C      -5.212891     10.536856      2.161347
  O      -4.196695     10.522305      1.475764
  C      -5.465539      9.447661      3.163926
  C      -6.603664      9.426110      3.988019
  C      -6.792935      8.395635      4.903003
  C      -5.837169      7.390096      4.990846
  F      -6.068488      6.401857      5.893997
  C      -4.683778      7.363051      4.190242
  C      -3.606684      6.310121      4.209000
  O      -2.740887      6.310353      3.346422
  C      -3.610129      5.262054      5.330733
  C      -4.529808      8.416562      3.277935
  C      -7.768513     -5.420622      4.353552
  C      -6.770548     -4.423277      4.889812
  O      -5.672918     -4.784390      5.304731
  C      -7.142476     -2.971714      4.891744
  C      -8.320348     -2.495714      4.290682
  C      -8.608285     -1.134991      4.276734
  C      -7.709401     -0.253331      4.865576
  F      -8.027554      1.061699      4.841412
  C      -6.525365     -0.678574      5.489753
  C      -5.494282      0.220313      6.112074
  O      -4.640451     -0.253106      6.852339
  C      -5.477222      1.708350      5.739277
  C      -6.272081     -2.057073      5.492426
  H      -3.385097     -7.258599      2.869423
  H      -4.921761     -6.370826      3.123249
  H      -4.138783     -6.329507      1.531406
  H      -5.333941     -4.402653      1.440684
  H      -6.175478     -2.084940      1.062541
  H      -1.027784     -0.924663      4.457544
  H      -2.245747     -1.340137      5.666299
  H      -2.301350     -2.895878      4.062776
  H      -6.366592     12.174673      2.974480
  H      -7.221681     11.222324      1.752701
  H      -5.911244     12.338175      1.248216
  H      -7.352207     10.215873      3.921090
  H      -7.669503      8.355445      5.549912
  H      -3.696732      5.819141      6.288393
  H      -4.545279      4.686092      5.235951
  H      -3.646048      8.423910      2.638649
  H      -8.731537     -5.342522      4.880123
  H      -7.367608     -6.432853      4.470695
  H      -7.970845     -5.229596      3.287711
  H      -9.021595     -3.187785      3.824093
  H      -9.517868     -0.743589      3.820994
  H      -6.345574      2.185095      6.233364
  H      -5.679287      1.787355      4.660449
  H      -5.360659     -2.421087      5.967789
  N      -1.385821      2.463134      3.592059
  N      -0.908456      2.031840      2.477232
  H      -1.047758      2.560270      1.612129
  H      -0.202088      1.290601      2.459202
90
Coordinates from ORCA-job orca E -6562.070073313828
  N      -1.676976      0.657004      5.766649
  Mo     -2.485977      2.355996      5.086243
  N      -4.239434      2.387329      6.091097
  C      -4.127162      2.908663      7.451256
  C      -2.800458      2.476749      8.066273
  N      -1.642393      2.796110      7.157385
  C      -0.503598      1.877656      7.421560
  C      -0.907979      0.482746      6.971233
  C      -1.222350      4.238941      7.272463
  C      -1.234721      4.832623      5.865782
  N      -2.470433      4.374385      5.262454
  H      -0.001240     -0.125891      6.796595
  H      -1.494995     -0.043126      7.751191
  H       0.341550      2.238880      6.820139
  H      -0.221636      1.904445      8.486866
  H      -1.171707      5.933130      5.898802
  H      -0.373493      4.468293      5.281680
  H      -1.966237      4.755481      7.895016
  H      -0.250441      4.303865      7.784011
  H      -4.935874      2.517541      8.090428
  H      -4.224045      4.009920      7.460396
  H      -2.830384      1.389424      8.195725
  H      -2.624537      2.947231      9.047446
  C      -3.968034     -6.334881      2.561592
  C      -3.194281     -5.131933      3.030635
  O      -2.133701     -5.238908      3.634929
  C      -3.761908     -3.765277      2.759329
  C      -4.862838     -3.536943      1.917192
  C      -5.339555     -2.244006      1.710510
  C      -4.727634     -1.181409      2.359072
  F      -5.227258      0.049160      2.149347
  C      -3.629510     -1.364023      3.234054
  C      -3.020082     -0.280919      3.992212
  O      -3.410074      0.916553      3.868694
  C      -1.945125     -0.540442      5.009324
  C      -3.167209     -2.682026      3.400172
  C      -6.313791     11.559963      1.964460
  C      -5.283329     10.464493      2.102068
  O      -4.289078     10.431673      1.385632
  C      -5.502815      9.404638      3.142670
  C      -6.617043      9.403237      3.999236
  C      -6.775349      8.397396      4.946844
  C      -5.814500      7.396764      5.034669
  F      -6.017221      6.434936      5.972133
  C      -4.682989      7.350507      4.203139
  C      -3.601872      6.303318      4.217400
  O      -2.739358      6.306773      3.351438
  C      -3.590519      5.261672      5.344347
  C      -4.560268      8.380321      3.259185
  C      -7.756376     -5.392154      4.320473
  C      -6.763642     -4.397601      4.872300
  O      -5.665871     -4.760454      5.285225
  C      -7.138367     -2.947310      4.884055
  C      -8.316401     -2.468581      4.284860
  C      -8.605400     -1.108043      4.281708
  C      -7.708547     -0.229296      4.877872
  F      -8.028114      1.085256      4.862236
  C      -6.524325     -0.656861      5.500295
  C      -5.496007      0.238195      6.129840
  O      -4.646479     -0.237402      6.873930
  C      -5.471335      1.725790      5.754418
  C      -6.270492     -2.035469      5.492654
  H      -3.409272     -7.243823      2.806364
  H      -4.948009     -6.360034      3.063042
  H      -4.154025     -6.295172      1.477663
  H      -5.354473     -4.368691      1.412397
  H      -6.187301     -2.043111      1.055332
  H      -1.048181     -0.937760      4.484153
  H      -2.277389     -1.357995      5.679432
  H      -2.323144     -2.897110      4.056005
  H      -6.412326     12.124701      2.904436
  H      -7.304758     11.137830      1.737238
  H      -6.012239     12.239425      1.160783
  H      -7.369607     10.189045      3.932067
  H      -7.632303      8.372994      5.620299
  H      -3.655506      5.821193      6.301524
  H      -4.528663      4.688240      5.265762
  H      -3.694822      8.373190      2.595207
  H      -8.722785     -5.320391      4.841708
  H      -7.354822     -6.404855      4.430671
  H      -7.951804     -5.191537      3.255055
  H      -9.015968     -3.157855      3.811788
  H      -9.515196     -0.715135      3.827670
  H      -6.338873      2.203781      6.249106
  H      -5.674186      1.803629      4.675400
  H      -5.359112     -2.402632      5.965851
  N      -1.320671      2.438541      3.643288
  N      -0.796275      2.004949      2.552424
  H      -0.847489      2.559344      1.693764
  H      -0.137355      1.220466      2.556444
90
Coordinates from ORCA-job orca E -6562.070484555697
  N      -1.695722      0.639246      5.794542
  Mo     -2.464991      2.352386      5.101256
  N      -4.225776      2.393322      6.101823
  C      -4.111142      2.912190      7.462885
  C      -2.780907      2.483675      8.073189
  N      -1.622954      2.792753      7.157577
  C      -0.491922      1.863724      7.425779
  C      -0.912482      0.467523      6.990023
  C      -1.192223      4.233487      7.265836
  C      -1.216481      4.831493      5.860512
  N      -2.456172      4.370098      5.262444
  H      -0.011236     -0.147921      6.810058
  H      -1.491923     -0.048891      7.781991
  H       0.354855      2.210523      6.818357
  H      -0.206026      1.897330      8.489890
  H      -1.156485      5.931818      5.897669
  H      -0.359795      4.469635      5.268847
  H      -1.923721      4.754078      7.899579
  H      -0.212179      4.293494      7.762307
  H      -4.914686      2.519682      8.107811
  H      -4.212376      4.013235      7.476150
  H      -2.812006      1.397350      8.208856
  H      -2.601497      2.959216      9.051144
  C      -3.995989     -6.316483      2.518587
  C      -3.220261     -5.120272      3.002185
  O      -2.164172     -5.236373      3.612472
  C      -3.782324     -3.749129      2.741915
  C      -4.879484     -3.508437      1.898546
  C      -5.348363     -2.210936      1.700338
  C      -4.730995     -1.156593      2.357620
  F      -5.223279      0.077749      2.154599
  C      -3.636883     -1.352182      3.234449
  C      -3.021302     -0.277707      3.999202
  O      -3.387561      0.926497      3.866491
  C      -1.961753     -0.553552      5.030447
  C      -3.183744     -2.674021      3.393092
  C      -6.384978     11.484623      1.911923
  C      -5.344953     10.398736      2.055860
  O      -4.363057     10.356291      1.323297
  C      -5.539663      9.360962      3.123467
  C      -6.640677      9.369453      3.997098
  C      -6.774013      8.383094      4.968802
  C      -5.803104      7.392735      5.063867
  F      -5.984009      6.450791      6.025258
  C      -4.683303      7.337651      4.216385
  C      -3.591145      6.303173      4.235860
  O      -2.729175      6.310577      3.369739
  C      -3.574117      5.261381      5.362992
  C      -4.586665      8.348111      3.248740
  C      -7.763360     -5.365124      4.302325
  C      -6.770439     -4.374391      4.861582
  O      -5.676864     -4.741574      5.281285
  C      -7.142761     -2.923726      4.877804
  C      -8.319218     -2.440296      4.278085
  C      -8.604513     -1.079157      4.280700
  C      -7.706791     -0.204103      4.881533
  F      -8.024177      1.110690      4.871312
  C      -6.524123     -0.636243      5.504290
  C      -5.495076      0.253280      6.138953
  O      -4.654584     -0.225321      6.891211
  C      -5.461541      1.741252      5.764023
  C      -6.275198     -2.015742      5.491157
  H      -3.443585     -7.230052      2.760405
  H      -4.980497     -6.340373      3.010839
  H      -4.170770     -6.267287      1.433098
  H      -5.374068     -4.333877      1.386233
  H      -6.193453     -2.000055      1.044932
  H      -1.062211     -0.951687      4.509676
  H      -2.304110     -1.373967      5.691573
  H      -2.342710     -2.899063      4.049511
  H      -6.471235     12.068207      2.841547
  H      -7.376581     11.051688      1.709046
  H      -6.100416     12.148848      1.089530
  H      -7.400980     10.147254      3.924501
  H      -7.619724      8.366240      5.656605
  H      -3.621135      5.815920      6.323060
  H      -4.514573      4.690997      5.292341
  H      -3.731119      8.334916      2.571925
  H      -8.732485     -5.290611      4.818137
  H      -7.365946     -6.379322      4.413724
  H      -7.951085     -5.162255      3.235950
  H      -9.019733     -3.125675      3.800871
  H      -9.513192     -0.683106      3.827029
  H      -6.328468      2.221908      6.257468
  H      -5.661209      1.820924      4.684387
  H      -5.365435     -2.387326      5.964451
  N      -1.254900      2.430702      3.693265
  N      -0.678438      2.008201      2.627261
  H      -0.659344      2.584896      1.781750
  H      -0.068906      1.184153      2.640585
90
Coordinates from ORCA-job orca E -6562.070834398069
  N      -1.712679      0.623930      5.811517
  Mo     -2.450303      2.346550      5.101483
  N      -4.216054      2.393205      6.097149
  C      -4.100633      2.912486      7.458368
  C      -2.765538      2.492652      8.064710
  N      -1.609728      2.794231      7.142091
  C      -0.480916      1.861958      7.414155
  C      -0.907930      0.462023      6.993895
  C      -1.174539      4.234595      7.242224
  C      -1.213164      4.834064      5.837785
  N      -2.455002      4.363864      5.246973
  H      -0.008500     -0.153478      6.804581
  H      -1.472549     -0.049567      7.799794
  H       0.364309      2.200466      6.800105
  H      -0.190881      1.905637      8.476755
  H      -1.160073      5.934354      5.876277
  H      -0.359611      4.476459      5.239458
  H      -1.895328      4.756319      7.887095
  H      -0.186526      4.293775      7.722664
  H      -4.897926      2.514913      8.107738
  H      -4.209467      4.013027      7.474185
  H      -2.793501      1.407715      8.209829
  H      -2.583144      2.977056      9.037572
  C      -4.026456     -6.318116      2.512306
  C      -3.250030     -5.128109      3.010278
  O      -2.199794     -5.251503      3.628515
  C      -3.799694     -3.752626      2.744886
  C      -4.888427     -3.503905      1.893404
  C      -5.346405     -2.203384      1.691005
  C      -4.725355     -1.152922      2.351319
  F      -5.206939      0.084721      2.144881
  C      -3.638930     -1.356332      3.235508
  C      -3.019547     -0.286276      4.002027
  O      -3.364921      0.922463      3.854781
  C      -1.974586     -0.568720      5.047702
  C      -3.197465     -2.681664      3.399447
  C      -6.427680     11.455825      1.909011
  C      -5.382762     10.374407      2.049569
  O      -4.406837     10.330949      1.309610
  C      -5.565133      9.342170      3.125186
  C      -6.660082      9.350407      4.006518
  C      -6.780053      8.369720      4.985645
  C      -5.802894      7.385453      5.080691
  F      -5.971319      6.449635      6.050183
  C      -4.688797      7.331342      4.225788
  C      -3.588662      6.305858      4.246190
  O      -2.719066      6.326861      3.388225
  C      -3.573924      5.254918      5.365770
  C      -4.605931      8.336233      3.251374
  C      -7.765436     -5.348427      4.294858
  C      -6.779340     -4.359777      4.869836
  O      -5.691622     -4.727846      5.302914
  C      -7.147664     -2.908033      4.876230
  C      -8.315978     -2.423256      4.260959
  C      -8.596747     -1.061494      4.256046
  C      -7.703363     -0.186525      4.864029
  F      -8.016501      1.129204      4.845761
  C      -6.529217     -0.620322      5.501678
  C      -5.504518      0.268019      6.144891
  O      -4.674705     -0.210789      6.908324
  C      -5.457806      1.753240      5.759919
  C      -6.285469     -2.000464      5.495402
  H      -3.484247     -7.236020      2.760196
  H      -5.018339     -6.335495      2.988976
  H      -4.182044     -6.265004      1.424252
  H      -5.385896     -4.326126      1.378893
  H      -6.185810     -1.987068      1.030361
  H      -1.070913     -0.968370      4.534884
  H      -2.325593     -1.387949      5.705583
  H      -2.363449     -2.912979      4.062336
  H      -6.508987     12.041811      2.837322
  H      -7.418828     11.018875      1.713591
  H      -6.150406     12.118069      1.082606
  H      -7.425367     10.123112      3.934376
  H      -7.620161      8.352591      5.680059
  H      -3.610765      5.798212      6.331955
  H      -4.514816      4.686470      5.294344
  H      -3.754663      8.324609      2.569210
  H      -8.741901     -5.271882      4.795819
  H      -7.371351     -6.363111      4.412883
  H      -7.935598     -5.145157      3.225794
  H      -9.013289     -3.107407      3.777753
  H      -9.499032     -0.664425      3.790915
  H      -6.322543      2.244404      6.246676
  H      -5.651485      1.828476      4.678818
  H      -5.382516     -2.373055      5.980825
  N      -1.200190      2.427822      3.726822
  N      -0.570195      2.023754      2.687023
  H      -0.501005      2.617626      1.856329
  H      -0.008649      1.166381      2.700038
90
Coordinates from ORCA-job orca E -6562.071112122707
  N      -1.730124      0.612061      5.820749
  Mo     -2.442764      2.342207      5.094295
  N      -4.210212      2.387501      6.087694
  C      -4.094115      2.903018      7.451116
  C      -2.751090      2.497247      8.049932
  N      -1.600810      2.798106      7.118477
  C      -0.468806      1.867987      7.390005
  C      -0.896541      0.463276      6.984740
  C      -1.166124      4.240302      7.211507
  C      -1.220932      4.840878      5.808417
  N      -2.463644      4.359418      5.225331
  H       0.002888     -0.147640      6.780013
  H      -1.439157     -0.047583      7.806508
  H       0.371360      2.204226      6.767857
  H      -0.172426      1.922331      8.450370
  H      -1.177524      5.941312      5.847934
  H      -0.369615      4.490028      5.203218
  H      -1.877763      4.759822      7.868261
  H      -0.170704      4.300601      7.676242
  H      -4.882010      2.491219      8.102925
  H      -4.217043      4.002138      7.473806
  H      -2.769684      1.413346      8.203694
  H      -2.564450      2.990604      9.017383
  C      -4.070695     -6.325464      2.520562
  C      -3.295217     -5.141607      3.034902
  O      -2.262139     -5.272559      3.679469
  C      -3.830550     -3.761687      2.760521
  C      -4.907952     -3.505947      1.896878
  C      -5.352504     -2.202793      1.684514
  C      -4.728194     -1.154781      2.345877
  F      -5.194934      0.086640      2.130062
  C      -3.651942     -1.364580      3.241108
  C      -3.025913     -0.297548      4.005204
  O      -3.348051      0.915488      3.839481
  C      -1.994286     -0.582876      5.063270
  C      -3.225379     -2.693786      3.417188
  C      -6.441938     11.462595      1.926831
  C      -5.393871     10.384303      2.065227
  O      -4.415276     10.346757      1.328787
  C      -5.576751      9.345833      3.135684
  C      -6.676163      9.344489      4.011565
  C      -6.796099      8.359266      4.986148
  C      -5.814337      7.379477      5.082133
  F      -5.981952      6.439372      6.047663
  C      -4.695958      7.335439      4.232664
  C      -3.588662      6.317033      4.255877
  O      -2.702441      6.360512      3.416319
  C      -3.585829      5.247105      5.358489
  C      -4.613029      8.344857      3.263214
  C      -7.748596     -5.352886      4.298123
  C      -6.769356     -4.361274      4.879513
  O      -5.692092     -4.727392      5.339223
  C      -7.137919     -2.909094      4.873990
  C      -8.297287     -2.427227      4.239407
  C      -8.578044     -1.065645      4.223438
  C      -7.693187     -0.187446      4.839786
  F      -8.005669      1.128466      4.811436
  C      -6.528562     -0.618705      5.495851
  C      -5.510895      0.273845      6.146512
  O      -4.697205     -0.199132      6.930090
  C      -5.456001      1.755799      5.749645
  C      -6.285298     -1.998610      5.500859
  H      -3.545702     -7.247958      2.787813
  H      -5.076009     -6.329935      2.968387
  H      -4.192926     -6.275454      1.428164
  H      -5.407732     -4.325807      1.380652
  H      -6.183610     -1.982321      1.014756
  H      -1.088589     -0.989818      4.559019
  H      -2.355212     -1.396491      5.723070
  H      -2.400084     -2.930214      4.089146
  H      -6.530264     12.041338      2.858974
  H      -7.430371     11.023607      1.722530
  H      -6.162182     12.131547      1.106597
  H      -7.445591     10.113052      3.938783
  H      -7.639356      8.334797      5.676545
  H      -3.624154      5.773573      6.333679
  H      -4.525437      4.679815      5.274300
  H      -3.757897      8.341269      2.585716
  H      -8.732624     -5.270048      4.782951
  H      -7.357802     -6.366955      4.432014
  H      -7.901218     -5.158854      3.224750
  H      -8.988002     -3.113253      3.749341
  H      -9.473574     -0.670464      3.743779
  H      -6.320445      2.257548      6.226297
  H      -5.641446      1.823836      4.666636
  H      -5.389311     -2.367997      6.001545
  N      -1.155888      2.433518      3.753303
  N      -0.469151      2.057887      2.741667
  H      -0.360620      2.671159      1.929487
  H       0.058888      1.179305      2.747828
90
Coordinates from ORCA-job orca E -6562.071331859745
  N      -1.728603      0.600816      5.826835
  Mo     -2.419894      2.336184      5.079341
  N      -4.192018      2.382449      6.064067
  C      -4.079616      2.894683      7.429361
  C      -2.732153      2.501785      8.027522
  N      -1.583553      2.802455      7.092674
  C      -0.447175      1.877314      7.367489
  C      -0.869702      0.467074      6.974304
  C      -1.151715      4.247158      7.180377
  C      -1.219007      4.847448      5.777730
  N      -2.460512      4.353774      5.200246
  H       0.031776     -0.136352      6.755580
  H      -1.390491     -0.045376      7.809484
  H       0.389347      2.214250      6.740915
  H      -0.148820      1.942176      8.426678
  H      -1.186788      5.948058      5.818093
  H      -0.368062      4.505126      5.167491
  H      -1.857981      4.763882      7.845122
  H      -0.151820      4.309728      7.634776
  H      -4.861638      2.468452      8.078840
  H      -4.215827      3.992280      7.457445
  H      -2.742611      1.419253      8.190904
  H      -2.545309      3.004882      8.989810
  C      -4.102727     -6.342358      2.540137
  C      -3.332471     -5.165829      3.079258
  O      -2.314325     -5.305754      3.745007
  C      -3.844991     -3.780811      2.785732
  C      -4.906617     -3.518730      1.904479
  C      -5.333445     -2.212913      1.676021
  C      -4.705959     -1.166743      2.337239
  F      -5.155242      0.078587      2.107744
  C      -3.643468     -1.381935      3.247683
  C      -3.011096     -0.315157      4.007290
  O      -3.310659      0.900069      3.818754
  C      -1.996852     -0.599088      5.080867
  C      -3.235853     -2.714933      3.441985
  C      -6.483629     11.456432      1.960013
  C      -5.422550     10.391165      2.097447
  O      -4.437223     10.372560      1.369438
  C      -5.600466      9.340710      3.157561
  C      -6.708786      9.314811      4.021765
  C      -6.824613      8.319876      4.986847
  C      -5.829262      7.353988      5.084772
  F      -5.991518      6.403653      6.041281
  C      -4.701683      7.335142      4.247131
  C      -3.578488      6.333686      4.274531
  O      -2.677292      6.405858      3.452992
  C      -3.587354      5.234581      5.348151
  C      -4.622611      8.353711      3.287079
  C      -7.780857     -5.335369      4.308204
  C      -6.803971     -4.346870      4.898394
  O      -5.731862     -4.715360      5.368090
  C      -7.159400     -2.891333      4.871435
  C      -8.305789     -2.406205      4.216458
  C      -8.575353     -1.042603      4.182317
  C      -7.691141     -0.165617      4.801484
  F      -7.992158      1.152762      4.756949
  C      -6.539496     -0.600564      5.477091
  C      -5.523143      0.290414      6.133989
  O      -4.726701     -0.182310      6.934831
  C      -5.444479      1.766616      5.720346
  C      -6.306902     -1.981790      5.499786
  H      -3.597007     -7.269632      2.827372
  H      -5.123421     -6.336474      2.951407
  H      -4.185359     -6.292984      1.443995
  H      -5.409062     -4.336691      1.387757
  H      -6.153458     -1.988921      0.993840
  H      -1.089013     -1.018624      4.590012
  H      -2.372280     -1.403602      5.744354
  H      -2.423333     -2.955664      4.127823
  H      -6.589882     12.023416      2.897438
  H      -7.463678     11.006237      1.740408
  H      -6.204589     12.138012      1.149958
  H      -7.489549     10.071722      3.947283
  H      -7.674443      8.276776      5.668197
  H      -3.634749      5.739172      6.334773
  H      -4.523747      4.666686      5.244211
  H      -3.760198      8.369115      2.619143
  H      -8.770595     -5.245117      4.779704
  H      -7.396958     -6.350772      4.451934
  H      -7.918481     -5.145138      3.232080
  H      -8.996115     -3.091279      3.724422
  H      -9.461150     -0.644344      3.687384
  H      -6.305689      2.287686      6.182197
  H      -5.617133      1.825892      4.634831
  H      -5.421034     -2.352546      6.017106
  N      -1.096021      2.438328      3.777436
  N      -0.356877      2.089430      2.794218
  H      -0.221027      2.716478      1.996829
  H       0.149686      1.198319      2.793943
90
Coordinates from ORCA-job orca E -6562.071493349292
  N      -1.719387      0.594899      5.825394
  Mo     -2.398260      2.330367      5.055078
  N      -4.173710      2.369812      6.032326
  C      -4.068826      2.877089      7.400087
  C      -2.715429      2.503940      7.997778
  N      -1.570276      2.810732      7.059370
  C      -0.424647      1.896899      7.336830
  C      -0.834720      0.479374      6.954786
  C      -1.148126      4.260345      7.141153
  C      -1.222848      4.858023      5.737860
  N      -2.459354      4.349173      5.161670
  H       0.071455     -0.111434      6.719844
  H      -1.328917     -0.038092      7.803274
  H       0.406975      2.239602      6.707058
  H      -0.125243      1.972478      8.394981
  H      -1.204656      5.958768      5.778501
  H      -0.369030      4.526644      5.126100
  H      -1.855632      4.772290      7.808307
  H      -0.147508      4.329548      7.592658
  H      -4.842875      2.430543      8.045378
  H      -4.225487      3.971911      7.434607
  H      -2.711918      1.422786      8.170221
  H      -2.531050      3.016764      8.955289
  C      -4.139970     -6.365243      2.586703
  C      -3.375358     -5.193220      3.143848
  O      -2.381810     -5.340160      3.844303
  C      -3.864307     -3.804885      2.826920
  C      -4.909066     -3.539849      1.926342
  C      -5.315710     -2.231870      1.675989
  C      -4.683685     -1.185808      2.332661
  F      -5.112889      0.062800      2.082130
  C      -3.636198     -1.403100      3.260187
  C      -2.995077     -0.333743      4.009921
  O      -3.270139      0.882660      3.793563
  C      -1.999859     -0.613376      5.099778
  C      -3.250634     -2.738963      3.478885
  C      -6.510808     11.482693      2.026485
  C      -5.441618     10.424485      2.153318
  O      -4.449737     10.428182      1.433887
  C      -5.618994      9.352453      3.191641
  C      -6.736792      9.297040      4.041951
  C      -6.853257      8.283084      4.986910
  C      -5.848061      7.326812      5.078003
  F      -6.008566      6.357160      6.015312
  C      -4.711092      7.337207      4.253420
  C      -3.577921      6.346772      4.274327
  O      -2.654772      6.460184      3.481747
  C      -3.593966      5.218776      5.316473
  C      -4.630524      8.374529      3.313731
  C      -7.817440     -5.331066      4.326994
  C      -6.838286     -4.343654      4.914737
  O      -5.783367     -4.716845      5.418619
  C      -7.177410     -2.884926      4.860360
  C      -8.305488     -2.396676      4.177484
  C      -8.560875     -1.030862      4.119767
  C      -7.679504     -0.155339      4.744681
  F      -7.964925      1.165891      4.677540
  C      -6.545994     -0.593589      5.447419
  C      -5.533142      0.296140      6.112258
  O      -4.755095     -0.174818      6.931972
  C      -5.429117      1.764848      5.678946
  C      -6.326503     -1.976214      5.493418
  H      -3.660012     -7.295517      2.906706
  H      -5.178201     -6.343038      2.950548
  H      -4.173818     -6.327778      1.487396
  H      -5.414253     -4.357416      1.411691
  H      -6.123312     -2.006171      0.979657
  H      -1.093119     -1.054819      4.625062
  H      -2.393872     -1.402852      5.771393
  H      -2.451947     -2.981541      4.180240
  H      -6.633062     12.029429      2.973941
  H      -7.484278     11.027929      1.787607
  H      -6.230188     12.183169      1.233288
  H      -7.525550     10.046156      3.972502
  H      -7.710270      8.217852      5.657394
  H      -3.660115      5.702745      6.312989
  H      -4.524081      4.646325      5.188151
  H      -3.760541      8.412361      2.656845
  H      -8.814196     -5.219284      4.778786
  H      -7.449232     -6.348233      4.497031
  H      -7.934355     -5.159973      3.245198
  H      -8.993507     -3.081376      3.681574
  H      -9.432688     -0.629608      3.602948
  H      -6.289491      2.304961      6.120687
  H      -5.585295      1.811366      4.590379
  H      -5.454404     -2.348273      6.032446
  N      -1.040107      2.446098      3.793853
  N      -0.245849      2.132307      2.842224
  H      -0.087598      2.773572      2.060326
  H       0.253001      1.236968      2.833675
90
Coordinates from ORCA-job orca E -6562.071612567496
  N      -1.697421      0.593443      5.822937
  Mo     -2.371641      2.329979      5.041984
  N      -4.147349      2.363550      6.014942
  C      -4.049435      2.863245      7.386145
  C      -2.693133      2.499858      7.984095
  N      -1.549555      2.813218      7.045072
  C      -0.397466      1.906607      7.321338
  C      -0.798196      0.485624      6.940951
  C      -1.134459      4.266123      7.126895
  C      -1.208481      4.865025      5.723958
  N      -2.441558      4.349144      5.145230
  H       0.111325     -0.095556      6.693427
  H      -1.274774     -0.038379      7.795713
  H       0.431631      2.255723      6.691858
  H      -0.098305      1.984850      8.379386
  H      -1.197643      5.965617      5.767318
  H      -0.351641      4.541398      5.112598
  H      -1.846694      4.773832      7.792377
  H      -0.136026      4.339183      7.582602
  H      -4.819112      2.402046      8.026294
  H      -4.219414      3.956065      7.427408
  H      -2.681063      1.419077      8.159121
  H      -2.512264      3.015476      8.940770
  C      -4.187511     -6.369807      2.619068
  C      -3.429443     -5.203560      3.197516
  O      -2.453914     -5.359577      3.921301
  C      -3.897175     -3.811418      2.866788
  C      -4.931071     -3.540391      1.955228
  C      -5.316883     -2.228894      1.689412
  C      -4.673667     -1.185958      2.340025
  F      -5.082271      0.066347      2.072413
  C      -3.635710     -1.408973      3.277164
  C      -2.981121     -0.340253      4.017421
  O      -3.233696      0.877583      3.781328
  C      -2.000126     -0.620963      5.117889
  C      -3.272913     -2.748005      3.513131
  C      -6.560805     11.463573      2.050129
  C      -5.476444     10.421068      2.179629
  O      -4.478255     10.445826      1.469025
  C      -5.645829      9.338423      3.207963
  C      -6.771819      9.256099      4.044927
  C      -6.881426      8.232713      4.980664
  C      -5.860411      7.293643      5.075221
  F      -6.013642      6.313688      6.002816
  C      -4.714383      7.331134      4.263892
  C      -3.565304      6.359246      4.287344
  O      -2.635803      6.496147      3.505543
  C      -3.581083      5.210536      5.305249
  C      -4.640825      8.377138      3.333072
  C      -7.846843     -5.313873      4.313562
  C      -6.869861     -4.332703      4.915211
  O      -5.825611     -4.713370      5.435791
  C      -7.191563     -2.870591      4.843952
  C      -8.303916     -2.374670      4.141749
  C      -8.543864     -1.006339      4.070641
  C      -7.661158     -0.136608      4.701496
  F      -7.928973      1.187492      4.619974
  C      -6.542405     -0.582301      5.422566
  C      -5.525884      0.300952      6.090254
  O      -4.764953     -0.170934      6.925603
  C      -5.403085      1.765814      5.649349
  C      -6.338529     -1.966945      5.483046
  H      -3.727893     -7.303469      2.958805
  H      -5.238789     -6.338975      2.943196
  H      -4.182038     -6.335586      1.518820
  H      -5.443362     -4.355550      1.443574
  H      -6.116138     -1.998205      0.984945
  H      -1.100155     -1.090279      4.656242
  H      -2.414722     -1.392742      5.798328
  H      -2.482955     -2.994983      4.223134
  H      -6.702228     12.001117      3.000385
  H      -7.524645     10.995042      1.798142
  H      -6.283943     12.174663      1.265047
  H      -7.573088      9.991735      3.972117
  H      -7.744841      8.147304      5.640766
  H      -3.660638      5.679982      6.308346
  H      -4.506617      4.634520      5.160787
  H      -3.764296      8.435449      2.686483
  H      -8.850401     -5.192321      4.747879
  H      -7.490376     -6.333788      4.492290
  H      -7.944774     -5.144930      3.229326
  H      -8.992349     -3.055797      3.641078
  H      -9.403618     -0.598958      3.538426
  H      -6.264650      2.317093      6.075639
  H      -5.544046      1.805958      4.558506
  H      -5.477365     -2.344520      6.035571
  N      -0.989965      2.455281      3.808605
  N      -0.162495      2.171426      2.875961
  H       0.010152      2.826359      2.108113
  H       0.349316      1.283066      2.865430
90
Coordinates from ORCA-job orca E -6562.071736789257
  N      -1.644280      0.593996      5.816042
  Mo     -2.320999      2.327004      5.020531
  N      -4.102239      2.350204      5.980002
  C      -4.021998      2.842899      7.354636
  C      -2.666319      2.491925      7.961860
  N      -1.520083      2.817425      7.030225
  C      -0.358900      1.924135      7.312375
  C      -0.740556      0.497598      6.930680
  C      -1.121646      4.275379      7.115580
  C      -1.185114      4.875154      5.712279
  N      -2.408304      4.347733      5.121279
  H       0.177105     -0.069407      6.678141
  H      -1.203927     -0.034890      7.787633
  H       0.470494      2.283595      6.689284
  H      -0.067537      2.005454      8.372401
  H      -1.186013      5.975546      5.758966
  H      -0.319064      4.563189      5.108183
  H      -1.849523      4.775390      7.769947
  H      -0.131566      4.359282      7.587460
  H      -4.790696      2.367552      7.985492
  H      -4.207555      3.933289      7.400249
  H      -2.643838      1.411364      8.137901
  H      -2.498616      3.009233      8.920025
  C      -4.209436     -6.383691      2.670320
  C      -3.454421     -5.221923      3.262510
  O      -2.497840     -5.386309      4.009792
  C      -3.894697     -3.826688      2.909990
  C      -4.912640     -3.551139      1.981850
  C      -5.272095     -2.236395      1.693615
  C      -4.617697     -1.196277      2.337459
  F      -5.001719      0.058697      2.045056
  C      -3.595143     -1.423536      3.290393
  C      -2.931234     -0.353145      4.021918
  O      -3.160666      0.864018      3.760601
  C      -1.973428     -0.630539      5.142013
  C      -3.259357     -2.764886      3.549140
  C      -6.639536     11.431557      2.098130
  C      -5.537071     10.406935      2.220991
  O      -4.535337     10.460557      1.516553
  C      -5.691347      9.308230      3.233800
  C      -6.821846      9.190866      4.060126
  C      -6.916816      8.153054      4.981705
  C      -5.876566      7.234980      5.072128
  F      -6.015653      6.240634      5.986292
  C      -4.724898      7.307063      4.270557
  C      -3.557255      6.357973      4.287040
  O      -2.623203      6.528217      3.516800
  C      -3.558342      5.193158      5.284567
  C      -4.666426      8.366887      3.354099
  C      -7.966844     -5.267197      4.318372
  C      -6.967876     -4.300613      4.907701
  O      -5.935132     -4.699014      5.438142
  C      -7.256230     -2.832636      4.819360
  C      -8.355864     -2.317886      4.111257
  C      -8.563868     -0.944779      4.026576
  C      -7.661389     -0.090041      4.649760
  F      -7.898440      1.238759      4.555460
  C      -6.553839     -0.554535      5.376789
  C      -5.516874      0.308009      6.038407
  O      -4.765127     -0.178471      6.874186
  C      -5.358790      1.767764      5.592481
  C      -6.382382     -1.943110      5.450944
  H      -3.774117     -7.319744      3.034749
  H      -5.272429     -6.339820      2.952112
  H      -4.163483     -6.359651      1.570319
  H      -5.432259     -4.364479      1.474565
  H      -6.059095     -2.001208      0.976863
  H      -1.081587     -1.138784      4.705767
  H      -2.419574     -1.374795      5.833828
  H      -2.482551     -3.015243      4.272664
  H      -6.797852     11.953961      3.054351
  H      -7.593062     10.948476      1.833715
  H      -6.371362     12.158126      1.324292
  H      -7.637920      9.910483      3.989965
  H      -7.783465      8.041291      5.633735
  H      -3.653399      5.650095      6.292781
  H      -4.475335      4.606777      5.127215
  H      -3.786322      8.452082      2.715385
  H      -8.967539     -5.116835      4.750856
  H      -7.634527     -6.293002      4.509485
  H      -8.061835     -5.109659      3.232008
  H      -9.059275     -2.988247      3.616590
  H      -9.413547     -0.522958      3.489289
  H      -6.220063      2.334436      5.999501
  H      -5.477995      1.804846      4.499023
  H      -5.530503     -2.336020      6.007151
  N      -0.913515      2.469644      3.821661
  N      -0.052858      2.222274      2.908842
  H       0.125562      2.889246      2.152423
  H       0.480637      1.346438      2.898527
90
Coordinates from ORCA-job orca E -6562.071858359333
  N      -1.607495      0.595239      5.807180
  Mo     -2.282872      2.327915      5.004770
  N      -4.066523      2.337078      5.959169
  C      -3.997932      2.822624      7.336795
  C      -2.640269      2.483120      7.945499
  N      -1.495208      2.819794      7.016631
  C      -0.328281      1.934497      7.299944
  C      -0.700661      0.504413      6.918800
  C      -1.108723      4.281046      7.105683
  C      -1.165042      4.883872      5.703450
  N      -2.381659      4.349708      5.103205
  H       0.221310     -0.055024      6.663408
  H      -1.156004     -0.031843      7.777864
  H       0.500361      2.299518      6.679282
  H      -0.039710      2.017618      8.360627
  H      -1.173579      5.984047      5.753972
  H      -0.293274      4.579728      5.104036
  H      -1.847423      4.774588      7.752786
  H      -0.124604      4.373023      7.588589
  H      -4.762860      2.335609      7.963388
  H      -4.197429      3.910457      7.387806
  H      -2.608064      1.402512      8.119463
  H      -2.480407      2.999502      8.905490
  C      -4.268085     -6.379615      2.726764
  C      -3.512334     -5.222398      3.326716
  O      -2.576796     -5.393998      4.098726
  C      -3.924134     -3.824647      2.952246
  C      -4.926821     -3.543785      2.009365
  C      -5.258840     -2.226403      1.699622
  C      -4.590868     -1.189891      2.335497
  F      -4.948780      0.067194      2.019483
  C      -3.582515     -1.422513      3.301969
  C      -2.906563     -0.354352      4.025541
  O      -3.108793      0.863361      3.743345
  C      -1.970047     -0.634431      5.162727
  C      -3.275591     -2.765853      3.583118
  C      -6.704210     11.400501      2.129227
  C      -5.588207     10.389697      2.245857
  O      -4.587039     10.462545      1.542267
  C      -5.728312      9.281373      3.249700
  C      -6.858925      9.140236      4.072036
  C      -6.938974      8.094226      4.985894
  C      -5.884356      7.192492      5.072443
  F      -6.009816      6.190210      5.979886
  C      -4.731838      7.287957      4.274164
  C      -3.550007      6.356889      4.285500
  O      -2.615427      6.548649      3.520885
  C      -3.538982      5.184090      5.272410
  C      -4.689011      8.355477      3.365752
  C      -8.021418     -5.242751      4.305112
  C      -7.017744     -4.287050      4.904151
  O      -6.000138     -4.697480      5.454059
  C      -7.279377     -2.815465      4.795715
  C      -8.361178     -2.289415      4.068684
  C      -8.544690     -0.913903      3.968632
  C      -7.635967     -0.068212      4.595029
  F      -7.848790      1.263262      4.483648
  C      -6.545022     -0.543658      5.340494
  C      -5.500846      0.306109      6.005754
  O      -4.754961     -0.189904      6.841561
  C      -5.321907      1.762446      5.557142
  C      -6.398114     -1.934487      5.428719
  H      -3.860121     -7.317354      3.117373
  H      -5.339682     -6.317096      2.968889
  H      -4.183153     -6.370694      1.628593
  H      -5.456151     -4.354627      1.508252
  H      -6.034326     -1.986208      0.972164
  H      -1.091118     -1.183519      4.750224
  H      -2.449525     -1.347879      5.865227
  H      -2.511370     -3.020350      4.318568
  H      -6.871454     11.913118      3.089199
  H      -7.650749     10.906802      1.859222
  H      -6.444594     12.136725      1.361696
  H      -7.685888      9.847528      4.004616
  H      -7.805188      7.964520      5.635113
  H      -3.639376      5.631993      6.284217
  H      -4.451073      4.591705      5.109557
  H      -3.808828      8.459218      2.729886
  H      -9.026635     -5.073008      4.719635
  H      -7.708940     -6.272221      4.509154
  H      -8.096283     -5.092228      3.216188
  H      -9.069334     -2.952941      3.571588
  H      -9.380432     -0.483855      3.416296
  H      -6.184634      2.336896      5.950282
  H      -5.426523      1.796220      4.461893
  H      -5.559788     -2.337036      5.998444
  N      -0.851386      2.485018      3.835920
  N       0.040370      2.278040      2.945548
  H       0.228001      2.963811      2.208115
  H       0.582183      1.407207      2.922176
90
Coordinates from ORCA-job orca E -6562.072025657147
  N      -1.547614      0.598704      5.784987
  Mo     -2.234089      2.329270      4.981120
  N      -4.019191      2.315140      5.930860
  C      -3.965966      2.792749      7.311472
  C      -2.606395      2.467013      7.922470
  N      -1.463578      2.822080      6.999729
  C      -0.288133      1.948913      7.283285
  C      -0.646478      0.514847      6.900895
  C      -1.098343      4.287351      7.096871
  C      -1.149687      4.895483      5.696751
  N      -2.357235      4.350541      5.085334
  H       0.282386     -0.036358      6.651445
  H      -1.101244     -0.024322      7.758584
  H       0.538290      2.322026      6.664668
  H      -0.002281      2.033668      8.344591
  H      -1.168858      5.995390      5.750951
  H      -0.270808      4.601034      5.103385
  H      -1.851710      4.768498      7.736305
  H      -0.121381      4.394033      7.591376
  H      -4.727642      2.295319      7.933833
  H      -4.179706      3.877745      7.367156
  H      -2.561642      1.386141      8.090410
  H      -2.459137      2.979436      8.886600
  C      -4.328276     -6.379871      2.816020
  C      -3.571432     -5.225718      3.420261
  O      -2.657339     -5.401124      4.216476
  C      -3.945417     -3.827476      3.010043
  C      -4.930273     -3.544334      2.049640
  C      -5.229052     -2.226713      1.708666
  C      -4.543796     -1.192051      2.329745
  F      -4.871391      0.064926      1.982643
  C      -3.551079     -1.426934      3.311121
  C      -2.864535     -0.359441      4.024510
  O      -3.042949      0.856881      3.721099
  C      -1.951184     -0.637035      5.181627
  C      -3.278616     -2.770385      3.624421
  C      -6.771734     11.370017      2.175162
  C      -5.642058     10.373523      2.283769
  O      -4.638127     10.471326      1.587542
  C      -5.771506      9.250028      3.271948
  C      -6.904965      9.080081      4.085124
  C      -6.971298      8.021362      4.985404
  C      -5.901970      7.137080      5.068463
  F      -6.016988      6.123416      5.964877
  C      -4.746301      7.260475      4.278188
  C      -3.548438      6.349955      4.285823
  O      -2.612149      6.566382      3.530490
  C      -3.525259      5.169648      5.263383
  C      -4.718541      8.340197      3.383889
  C      -8.111988     -5.205311      4.287743
  C      -7.091367     -4.266836      4.885520
  O      -6.090772     -4.694223      5.452656
  C      -7.318606     -2.790858      4.759930
  C      -8.381993     -2.247284      4.017819
  C      -8.530668     -0.869182      3.902622
  C      -7.608321     -0.037907      4.528827
  F      -7.787685      1.296566      4.398302
  C      -6.535230     -0.530676      5.289873
  C      -5.473719      0.297632      5.952985
  O      -4.736859     -0.212283      6.788642
  C      -5.274696      1.753426      5.512346
  C      -6.423670     -1.924081      5.390642
  H      -3.954249     -7.317196      3.239735
  H      -5.406921     -6.292460      3.012554
  H      -4.197550     -6.394270      1.722277
  H      -5.473538     -4.353798      1.561644
  H      -5.991757     -1.984256      0.968833
  H      -1.090561     -1.236515      4.803666
  H      -2.473380     -1.305294      5.898703
  H      -2.529483     -3.026333      4.374502
  H      -6.952332     11.864820      3.141813
  H      -7.709065     10.867570      1.890189
  H      -6.516779     12.121652      1.421235
  H      -7.743184      9.774007      4.020785
  H      -7.838860      7.869452      5.627759
  H      -3.627867      5.605223      6.280083
  H      -4.431459      4.570639      5.095640
  H      -3.836366      8.466411      2.754717
  H      -9.116095     -5.006344      4.691566
  H      -7.826179     -6.239400      4.506349
  H      -8.173471     -5.065787      3.196734
  H      -9.100737     -2.898663      3.520256
  H      -9.350605     -0.426218      3.337192
  H      -6.138098      2.333336      5.895733
  H      -5.365566      1.791318      4.415813
  H      -5.599329     -2.341505      5.970127
  N      -0.782199      2.511585      3.842067
  N       0.132293      2.357046      2.966849
  H       0.322596      3.073310      2.259629
  H       0.693660      1.499101      2.927946
90
Coordinates from ORCA-job orca E -6562.072164426561
  N      -1.488477      0.599851      5.766832
  Mo     -2.188632      2.328672      4.969804
  N      -3.977207      2.288458      5.917717
  C      -3.934346      2.757156      7.300814
  C      -2.572407      2.444616      7.911005
  N      -1.433600      2.820628      6.993603
  C      -0.248943      1.959168      7.274037
  C      -0.593478      0.522035      6.888078
  C      -1.090009      4.289045      7.101826
  C      -1.139310      4.904422      5.705051
  N      -2.337060      4.351487      5.080542
  H       0.341859     -0.021332      6.645936
  H      -1.050094     -0.020621      7.742587
  H       0.573163      2.341948      6.655670
  H       0.036895      2.043950      8.335328
  H      -1.168805      6.003918      5.764323
  H      -0.253928      4.620070      5.116830
  H      -1.855878      4.755931      7.736927
  H      -0.119139      4.409098      7.605274
  H      -4.691831      2.249209      7.919988
  H      -4.161930      3.839197      7.362919
  H      -2.515383      1.363177      8.069928
  H      -2.433772      2.950703      8.879749
  C      -4.363757     -6.377181      2.886959
  C      -3.593372     -5.226471      3.479868
  O      -2.696122     -5.402856      4.294619
  C      -3.942092     -3.828577      3.045889
  C      -4.913444     -3.544249      2.072266
  C      -5.190675     -2.227902      1.711126
  C      -4.497314     -1.194221      2.325416
  F      -4.805757      0.062480      1.960895
  C      -3.516311     -1.429859      3.317868
  C      -2.824162     -0.363338      4.025940
  O      -2.984963      0.851849      3.708074
  C      -1.926838     -0.638525      5.196667
  C      -3.265394     -2.773033      3.651636
  C      -6.831049     11.328825      2.193134
  C      -5.689300     10.346038      2.298775
  O      -4.686241     10.458277      1.603861
  C      -5.807450      9.215996      3.281154
  C      -6.939783      9.029347      4.092770
  C      -6.993470      7.965656      4.987856
  C      -5.914057      7.093756      5.068343
  F      -6.018753      6.076064      5.962195
  C      -4.759514      7.233501      4.279278
  C      -3.549445      6.338481      4.285951
  O      -2.617866      6.565091      3.528623
  C      -3.515581      5.156451      5.262352
  C      -4.745119      8.317687      3.390300
  C      -8.209824     -5.160508      4.265945
  C      -7.171166     -4.241517      4.862597
  O      -6.177240     -4.686530      5.427516
  C      -7.367532     -2.761557      4.730660
  C      -8.418729     -2.198787      3.984718
  C      -8.536194     -0.818583      3.863168
  C      -7.597311     -0.003704      4.486533
  F      -7.749441      1.333434      4.347713
  C      -6.535885     -0.515809      5.251980
  C      -5.457198      0.289510      5.915451
  O      -4.721564     -0.240867      6.739331
  C      -5.235813      1.745121      5.486226
  C      -6.455805     -1.910976      5.357018
  H      -4.018153     -7.312611      3.337923
  H      -5.443727     -6.262130      3.058579
  H      -4.208832     -6.418197      1.797099
  H      -5.463794     -4.352782      1.590919
  H      -5.943169     -1.984513      0.961355
  H      -1.083071     -1.276545      4.847208
  H      -2.482949     -1.266654      5.925226
  H      -2.526626     -3.029564      4.411379
  H      -7.019293     11.815487      3.162233
  H      -7.761402     10.817227      1.902432
  H      -6.582679     12.087720      1.444328
  H      -7.785903      9.713560      4.030719
  H      -7.859422      7.800599      5.628985
  H      -3.620461      5.584776      6.281305
  H      -4.415867      4.550268      5.091365
  H      -3.864131      8.456640      2.761959
  H      -9.209209     -4.941696      4.670845
  H      -7.943489     -6.199467      4.485716
  H      -8.269256     -5.021114      3.175003
  H      -9.150908     -2.836198      3.489006
  H      -9.345592     -0.361232      3.294177
  H      -6.095497      2.331772      5.867655
  H      -5.320162      1.792101      4.389363
  H      -5.641026     -2.343892      5.938837
  N      -0.730891      2.542984      3.846695
  N       0.193265      2.434413      2.976144
  H       0.371675      3.175146      2.291203
  H       0.766640      1.585930      2.912617
90
Coordinates from ORCA-job orca E -6562.072327104768
  N      -1.422717      0.599271      5.749212
  Mo     -2.132402      2.324963      4.951576
  N      -3.929334      2.257271      5.889898
  C      -3.900639      2.722696      7.273888
  C      -2.537098      2.430266      7.889131
  N      -1.399709      2.823560      6.977739
  C      -0.204851      1.975688      7.260206
  C      -0.532097      0.533709      6.875080
  C      -1.077031      4.295969      7.091413
  C      -1.128274      4.914373      5.695969
  N      -2.315332      4.348034      5.062010
  H       0.410515     -0.000607      6.641643
  H      -0.988561     -0.010579      7.728680
  H       0.612263      2.367703      6.640986
  H       0.079974      2.065343      8.321319
  H      -1.172081      6.013285      5.757398
  H      -0.236520      4.641614      5.112142
  H      -1.852323      4.749750      7.724662
  H      -0.110436      4.429814      7.599553
  H      -4.653546      2.201890      7.888289
  H      -4.146725      3.801163      7.338225
  H      -2.466133      1.349623      8.047082
  H      -2.408384      2.936683      8.859044
  C      -4.404945     -6.378412      2.980729
  C      -3.621870     -5.231284      3.563365
  O      -2.733090     -5.408230      4.387160
  C      -3.938879     -3.835534      3.097431
  C      -4.893224     -3.552364      2.106414
  C      -5.144109     -2.239250      1.718040
  C      -4.441956     -1.205594      2.322750
  F      -4.726499      0.050015      1.935919
  C      -3.475359     -1.439527      3.329646
  C      -2.774100     -0.372986      4.027929
  O      -2.911949      0.839663      3.688667
  C      -1.896585     -0.641238      5.215021
  C      -3.250708     -2.780887      3.691126
  C      -6.905020     11.288388      2.236979
  C      -5.749985     10.320425      2.332012
  O      -4.748284     10.452983      1.638918
  C      -5.851828      9.180270      3.305105
  C      -6.980916      8.971311      4.116366
  C      -7.019461      7.899343      5.002038
  C      -5.928402      7.041396      5.074400
  F      -6.019384      6.014841      5.960259
  C      -4.777037      7.203411      4.285529
  C      -3.553727      6.325270      4.285386
  O      -2.624464      6.572541      3.532396
  C      -3.506343      5.133999      5.251344
  C      -4.777815      8.295205      3.405822
  C      -8.334797     -5.105443      4.249480
  C      -7.271754     -4.210363      4.838874
  O      -6.294694     -4.676367      5.416210
  C      -7.425353     -2.726596      4.690401
  C      -8.454217     -2.142463      3.929480
  C      -8.530799     -0.760951      3.792113
  C      -7.575199      0.034159      4.415525
  F      -7.689969      1.373614      4.260926
  C      -6.535664     -0.499348      5.195941
  C      -5.441588      0.282274      5.863588
  O      -4.723681     -0.263412      6.692930
  C      -5.190248      1.734674      5.440756
  C      -6.495620     -1.895010      5.315253
  H      -4.086056     -7.310838      3.457025
  H      -5.484944     -6.237691      3.130130
  H      -4.229526     -6.445356      1.895220
  H      -5.450636     -4.360625      1.632794
  H      -5.883205     -1.997147      0.954559
  H      -1.070577     -1.317953      4.900228
  H      -2.488529     -1.224081      5.953894
  H      -2.524981     -3.035736      4.463788
  H      -7.100245     11.760932      3.211619
  H      -7.828124     10.767969      1.939239
  H      -6.666032     12.059188      1.497248
  H      -7.836416      9.644327      4.060966
  H      -7.882460      7.716625      5.642393
  H      -3.617244      5.549569      6.274565
  H      -4.397821      4.517753      5.072147
  H      -3.899362      8.450982      2.777773
  H      -9.328673     -4.852444      4.647931
  H      -8.099409     -6.148744      4.483730
  H      -8.385885     -4.978313      3.156709
  H      -9.200566     -2.763706      3.434364
  H      -9.321751     -0.286902      3.210928
  H      -6.045580      2.334355      5.812465
  H      -5.261680      1.785457      4.343059
  H      -5.698210     -2.343789      5.909071
  N      -0.660513      2.570304      3.857427
  N       0.282228      2.513800      3.002068
  H       0.453677      3.282549      2.346534
  H       0.865715      1.674836      2.910468
90
Coordinates from ORCA-job orca E -6562.072543123294
  N      -1.357990      0.595522      5.731812
  Mo     -2.081308      2.315149      4.932807
  N      -3.884962      2.230617      5.862493
  C      -3.866768      2.699143      7.244818
  C      -2.503111      2.423787      7.867714
  N      -1.366296      2.826906      6.960438
  C      -0.162307      1.991202      7.245571
  C      -0.473974      0.545079      6.864682
  C      -1.060875      4.302938      7.073519
  C      -1.119398      4.919023      5.676881
  N      -2.297761      4.337377      5.039342
  H       0.474639      0.016850      6.643299
  H      -0.933451      0.002790      7.717847
  H       0.648861      2.389901      6.622662
  H       0.123583      2.087815      8.305637
  H      -1.176123      6.017444      5.735670
  H      -0.222948      4.655070      5.096371
  H      -1.840201      4.746807      7.708896
  H      -0.094915      4.449107      7.579282
  H      -4.616989      2.169675      7.855331
  H      -4.126761      3.775034      7.306215
  H      -2.421089      1.344715      8.031741
  H      -2.382444      2.935353      8.835812
  C      -4.430458     -6.394962      3.091455
  C      -3.632325     -5.249173      3.655580
  O      -2.753499     -5.420843      4.490987
  C      -3.927114     -3.857978      3.159879
  C      -4.865220     -3.581742      2.150965
  C      -5.095884     -2.274183      1.734730
  C      -4.391073     -1.236965      2.330131
  F      -4.655628      0.015672      1.920012
  C      -3.438602     -1.463429      3.352354
  C      -2.729634     -0.393246      4.037204
  O      -2.854248      0.814920      3.677672
  C      -1.864941     -0.648202      5.235786
  C      -3.233782     -2.800689      3.742188
  C      -6.975603     11.256475      2.300237
  C      -5.805097     10.306602      2.384013
  O      -4.803976     10.463665      1.695344
  C      -5.892045      9.149808      3.339534
  C      -7.019078      8.913230      4.146492
  C      -7.045635      7.827359      5.015078
  C      -5.943713      6.982375      5.075274
  F      -6.022948      5.939379      5.943260
  C      -4.794320      7.172269      4.290679
  C      -3.559550      6.309287      4.281538
  O      -2.631668      6.578164      3.534552
  C      -3.499049      5.106445      5.233846
  C      -4.806600      8.277007      3.427275
  C      -8.446625     -5.035527      4.207826
  C      -7.366062     -4.163779      4.799522
  O      -6.405125     -4.649761      5.387694
  C      -7.480811     -2.677326      4.640380
  C      -8.484960     -2.073474      3.861966
  C      -8.525029     -0.691506      3.713172
  C      -7.558642      0.084221      4.344108
  F      -7.639240      1.425203      4.178589
  C      -6.544013     -0.469168      5.142218
  C      -5.441764      0.291388      5.822104
  O      -4.748260     -0.266847      6.663455
  C      -5.151209      1.735611      5.397377
  C      -6.538726     -1.864362      5.271905
  H      -4.133302     -7.321825      3.592309
  H      -5.508203     -6.228707      3.229879
  H      -4.246076     -6.490628      2.009716
  H      -5.424072     -4.392599      1.683498
  H      -5.821138     -2.038424      0.955987
  H      -1.056257     -1.358460      4.956341
  H      -2.487005     -1.184190      5.986258
  H      -2.519097     -3.049087      4.527157
  H      -7.182143     11.709364      3.281850
  H      -7.888724     10.725774      1.990158
  H      -6.746787     12.043323      1.574186
  H      -7.883533      9.575588      4.101241
  H      -7.907025      7.622546      5.650986
  H      -3.618050      5.509454      6.261023
  H      -4.381556      4.480372      5.045160
  H      -3.929540      8.453600      2.802892
  H      -9.436900     -4.755999      4.597407
  H      -8.238098     -6.082583      4.450879
  H      -8.485969     -4.914439      3.113920
  H      -9.240800     -2.679106      3.361852
  H      -9.295334     -0.201192      3.117827
  H      -5.996453      2.357914      5.755529
  H      -5.207891      1.784163      4.298883
  H      -5.759796     -2.326478      5.879797
  N      -0.608219      2.587746      3.854812
  N       0.337790      2.578207      2.997632
  H       0.486671      3.368967      2.363614
  H       0.944484      1.758809      2.889700
90
Coordinates from ORCA-job orca E -6562.072786705809
  N      -1.302590      0.591549      5.721159
  Mo     -2.035222      2.305193      4.920962
  N      -3.843456      2.201570      5.845478
  C      -3.832815      2.667055      7.228817
  C      -2.465724      2.414087      7.853271
  N      -1.333192      2.829925      6.945092
  C      -0.118865      2.006728      7.229294
  C      -0.417070      0.556234      6.854407
  C      -1.043748      4.310640      7.055694
  C      -1.110432      4.925549      5.658392
  N      -2.279049      4.327229      5.016691
  H       0.536045      0.034774      6.636925
  H      -0.872071      0.015110      7.710638
  H       0.684817      2.412666      6.601251
  H       0.170480      2.109835      8.287718
  H      -1.182466      6.023027      5.717004
  H      -0.208772      4.674313      5.080734
  H      -1.824938      4.745184      7.695218
  H      -0.077167      4.466947      7.557135
  H      -4.573835      2.119690      7.835074
  H      -4.113938      3.737621      7.293995
  H      -2.367428      1.337012      8.023565
  H      -2.350425      2.931133      8.818958
  C      -4.446211     -6.407368      3.179765
  C      -3.646877     -5.260519      3.739867
  O      -2.774497     -5.427608      4.583148
  C      -3.925101     -3.873740      3.221212
  C      -4.846035     -3.605011      2.194053
  C      -5.059051     -2.302302      1.754084
  C      -4.353884     -1.262092      2.343243
  F      -4.600109     -0.012862      1.911178
  C      -3.416964     -1.480775      3.382039
  C      -2.698091     -0.407976      4.053077
  O      -2.803794      0.795528      3.670790
  C      -1.847257     -0.651991      5.263573
  C      -3.230492     -2.813600      3.796584
  C      -7.040701     11.223212      2.350383
  C      -5.856966     10.289123      2.422525
  O      -4.855996     10.470377      1.739345
  C      -5.928353      9.118464      3.362864
  C      -7.052308      8.857092      4.166350
  C      -7.067904      7.759499      5.020125
  C      -5.956068      6.926661      5.068542
  F      -6.022791      5.869539      5.920167
  C      -4.808681      7.142405      4.287970
  C      -3.563744      6.293927      4.270920
  O      -2.637868      6.581472      3.528006
  C      -3.489698      5.080885      5.209342
  C      -4.831356      8.257970      3.438467
  C      -8.547025     -4.968931      4.155552
  C      -7.449331     -4.121163      4.750159
  O      -6.500787     -4.628772      5.340938
  C      -7.531001     -2.632295      4.592581
  C      -8.517444     -2.007232      3.808911
  C      -8.528103     -0.624450      3.659490
  C      -7.549206      0.129950      4.296642
  F      -7.601141      1.472719      4.132044
  C      -6.551841     -0.445013      5.100360
  C      -5.440459      0.294246      5.790057
  O      -4.770053     -0.275727      6.642078
  C      -5.113016      1.730385      5.364264
  C      -6.574524     -1.840011      5.230973
  H      -4.160843     -7.330454      3.694666
  H      -5.523625     -6.229965      3.308289
  H      -4.252595     -6.517364      2.100923
  H      -5.403573     -4.418562      1.729337
  H      -5.770201     -2.072734      0.960326
  H      -1.058788     -1.395731      5.019364
  H      -2.497298     -1.140000      6.024306
  H      -2.527104     -3.055450      4.593989
  H      -7.256845     11.657592      3.338489
  H      -7.945159     10.683570      2.029831
  H      -6.822552     12.024911      1.637218
  H      -7.924841      9.509755      4.130635
  H      -7.927240      7.535157      5.652503
  H      -3.623105      5.473951      6.238665
  H      -4.361890      4.444161      5.008135
  H      -3.956102      8.453706      2.817359
  H      -9.532348     -4.669896      4.543616
  H      -8.360536     -6.020517      4.397494
  H      -8.581608     -4.845421      3.061579
  H      -9.283472     -2.596869      3.304804
  H      -9.283555     -0.116495      3.059632
  H      -5.948595      2.373560      5.709201
  H      -5.154624      1.776181      4.265197
  H      -5.808025     -2.316601      5.843385
  N      -0.556937      2.601057      3.860807
  N       0.397795      2.647178      3.012053
  H       0.521567      3.458393      2.398918
  H       1.020920      1.845131      2.875845
90
Coordinates from ORCA-job orca E -6562.073099105914
  N      -1.252007      0.587958      5.704976
  Mo     -1.999543      2.292620      4.903944
  N      -3.807819      2.175909      5.827430
  C      -3.803400      2.646361      7.208996
  C      -2.434050      2.412381      7.835682
  N      -1.304712      2.833862      6.924926
  C      -0.082649      2.021051      7.209892
  C      -0.369179      0.566723      6.841522
  C      -1.027325      4.318722      7.028204
  C      -1.105804      4.929810      5.628941
  N      -2.267495      4.312719      4.990008
  H       0.587844      0.050381      6.629447
  H      -0.822424      0.028014      7.699935
  H       0.715765      2.431647      6.578203
  H       0.208564      2.129848      8.267207
  H      -1.192899      6.026144      5.686157
  H      -0.200454      4.691364      5.052025
  H      -1.806837      4.748143      7.673054
  H      -0.057758      4.483697      7.521015
  H      -4.536920      2.087638      7.814171
  H      -4.099598      3.713015      7.271570
  H      -2.322776      1.338211      8.016867
  H      -2.324888      2.938174      8.797243
  C      -4.444857     -6.432250      3.290186
  C      -3.646194     -5.277983      3.836078
  O      -2.781864     -5.432010      4.690300
  C      -3.919366     -3.898876      3.294205
  C      -4.831623     -3.644705      2.255659
  C      -5.034627     -2.348503      1.790362
  C      -4.327682     -1.301651      2.364786
  F      -4.564033     -0.059526      1.907060
  C      -3.399646     -1.505815      3.414873
  C      -2.673720     -0.425495      4.067415
  O      -2.768956      0.771267      3.662271
  C      -1.832789     -0.654572      5.288296
  C      -3.224119     -2.831426      3.855293
  C      -7.088765     11.205494      2.414924
  C      -5.896408     10.281541      2.474091
  O      -4.897622     10.480634      1.792382
  C      -5.957951      9.095554      3.395827
  C      -7.078272      8.815158      4.197176
  C      -7.087372      7.704478      5.034019
  C      -5.970744      6.877128      5.066641
  F      -6.029619      5.805765      5.899990
  C      -4.825422      7.112795      4.287895
  C      -3.575431      6.273014      4.257121
  O      -2.653963      6.574698      3.513349
  C      -3.485428      5.052385      5.182550
  C      -4.854710      8.240891      3.454996
  C      -8.631874     -4.901150      4.077319
  C      -7.523552     -4.077328      4.686048
  O      -6.590901     -4.607274      5.283063
  C      -7.573476     -2.586921      4.534040
  C      -8.538837     -1.940724      3.742057
  C      -8.523088     -0.557246      3.597493
  C      -7.536873      0.175328      4.248494
  F      -7.559395      1.519423      4.088086
  C      -6.559715     -0.421272      5.060850
  C      -5.443742      0.297382      5.764057
  O      -4.795812     -0.283372      6.626343
  C      -5.080520      1.724200      5.334321
  C      -6.608350     -1.816174      5.187583
  H      -4.160819     -7.348594      3.817878
  H      -5.521446     -6.249791      3.420542
  H      -4.253638     -6.557420      2.212669
  H      -5.389805     -4.463715      1.801287
  H      -5.738955     -2.130112      0.987315
  H      -1.064373     -1.427914      5.079197
  H      -2.505205     -1.095343      6.059640
  H      -2.527073     -3.061207      4.661962
  H      -7.310089     11.623187      3.409188
  H      -7.987445     10.660663      2.086348
  H      -6.879747     12.020087      1.713701
  H      -7.954502      9.463663      4.174454
  H      -7.944258      7.465369      5.664405
  H      -3.630204      5.437718      6.213736
  H      -4.348530      4.405819      4.973125
  H      -3.981660      8.451942      2.835981
  H      -9.615234     -4.585295      4.457171
  H      -8.468143     -5.957364      4.315621
  H      -8.653268     -4.771911      2.983542
  H      -9.310003     -2.514757      3.227726
  H      -9.261148     -0.031786      2.991012
  H      -5.906092      2.387806      5.664867
  H      -5.107204      1.762787      4.234601
  H      -5.857622     -2.307769      5.807375
  N      -0.518705      2.604888      3.854212
  N       0.435715      2.714637      3.009198
  H       0.523701      3.545298      2.416333
  H       1.081666      1.937186      2.843715
90
Coordinates from ORCA-job orca E -6562.073473198137
  N      -1.209006      0.584368      5.687431
  Mo     -1.971941      2.279633      4.888549
  N      -3.775308      2.148823      5.815114
  C      -3.775284      2.621203      7.196048
  C      -2.401515      2.405823      7.819173
  N      -1.278244      2.835910      6.904263
  C      -0.048342      2.033759      7.186939
  C      -0.324006      0.575497      6.823503
  C      -1.014645      4.324290      7.002387
  C      -1.106471      4.934214      5.602702
  N      -2.260486      4.298549      4.965899
  H       0.636668      0.066419      6.610286
  H      -0.769909      0.036015      7.684918
  H       0.745143      2.450063      6.553024
  H       0.245005      2.145708      8.243413
  H      -1.209946      6.028874      5.661854
  H      -0.197404      4.712083      5.025606
  H      -1.792538      4.747599      7.652924
  H      -0.041918      4.497901      7.486030
  H      -4.498130      2.050132      7.802573
  H      -4.086723      3.683062      7.259112
  H      -2.275125      1.334491      8.007216
  H      -2.298969      2.937478      8.778186
  C      -4.436671     -6.458227      3.406441
  C      -3.641418     -5.293768      3.934785
  O      -2.781204     -5.432108      4.796033
  C      -3.913570     -3.924325      3.369206
  C      -4.821651     -3.687194      2.323639
  C      -5.017552     -2.398186      1.832932
  C      -4.306987     -1.344049      2.388753
  F      -4.536281     -0.111312      1.902822
  C      -3.384510     -1.531453      3.446688
  C      -2.655584     -0.441616      4.080588
  O      -2.743324      0.747390      3.652964
  C      -1.822757     -0.655769      5.311245
  C      -3.216385     -2.848600      3.911966
  C      -7.116959     11.201143      2.483517
  C      -5.920722     10.281311      2.528592
  O      -4.918911     10.501444      1.857723
  C      -5.980455      9.076205      3.424885
  C      -7.102023      8.775374      4.215883
  C      -7.110059      7.647714      5.030207
  C      -5.989745      6.824968      5.050230
  F      -6.046456      5.735947      5.859478
  C      -4.841793      7.081638      4.280889
  C      -3.588121      6.249966      4.239649
  O      -2.669987      6.563215      3.495408
  C      -3.485339      5.025404      5.156189
  C      -4.873188      8.225677      3.470177
  C      -8.706483     -4.835529      3.989680
  C      -7.592102     -4.036217      4.620455
  O      -6.678091     -4.589456      5.225362
  C      -7.611567     -2.544807      4.478051
  C      -8.555800     -1.877388      3.678859
  C      -8.515782     -0.493579      3.543298
  C      -7.523886      0.217004      4.209793
  F      -7.519220      1.561907      4.057206
  C      -6.565740     -0.401322      5.029406
  C      -5.445195      0.295697      5.745338
  O      -4.815650     -0.296396      6.613847
  C      -5.050490      1.713763      5.312788
  C      -6.640210     -1.796114      5.148672
  H      -4.141825     -7.368180      3.939108
  H      -5.512202     -6.278718      3.551530
  H      -4.259284     -6.591890      2.327780
  H      -5.383398     -4.511941      1.884404
  H      -5.719328     -2.192290      1.024509
  H      -1.073550     -1.454476      5.133753
  H      -2.511034     -1.053495      6.092829
  H      -2.523687     -3.064985      4.725961
  H      -7.345616     11.596249      3.485335
  H      -8.010793     10.657952      2.139150
  H      -6.910093     12.032016      1.801167
  H      -7.980587      9.420931      4.203592
  H      -7.968344      7.392482      5.652160
  H      -3.641435      5.404194      6.188658
  H      -4.341095      4.371244      4.939189
  H      -3.998976      8.453622      2.859036
  H      -9.689450     -4.504122      4.357075
  H      -8.566398     -5.896367      4.221932
  H      -8.709120     -4.698237      2.896674
  H      -9.329808     -2.435982      3.152100
  H      -9.237343      0.048650      2.931904
  H      -5.867179      2.394497      5.629901
  H      -5.062839      1.744320      4.212547
  H      -5.905960     -2.304003      5.774868
  N      -0.497120      2.614663      3.839091
  N       0.446190      2.799971      2.994821
  H       0.486572      3.649220      2.423412
  H       1.126889      2.059758      2.802436
90
Coordinates from ORCA-job orca E -6562.073920164374
  N      -1.171495      0.579375      5.673811
  Mo     -1.939678      2.269421      4.873384
  N      -3.740778      2.125273      5.798357
  C      -3.747671      2.599563      7.179315
  C      -2.370948      2.399767      7.800781
  N      -1.250202      2.836046      6.885297
  C      -0.016976      2.039997      7.170336
  C      -0.286224      0.577995      6.810600
  C      -0.996753      4.326581      6.980823
  C      -1.100961      4.938409      5.582190
  N      -2.248119      4.287445      4.946535
  H       0.677076      0.074112      6.596644
  H      -0.727384      0.038263      7.673812
  H       0.776350      2.458599      6.538090
  H       0.273948      2.153857      8.227464
  H      -1.220639      6.031021      5.646966
  H      -0.189066      4.734473      5.003588
  H      -1.772920      4.745180      7.636257
  H      -0.021446      4.506391      7.457050
  H      -4.462147      2.019450      7.787176
  H      -4.071103      3.657437      7.242167
  H      -2.233171      1.331046      7.994018
  H      -2.276639      2.936294      8.758050
  C      -4.461516     -6.463798      3.503047
  C      -3.660097     -5.296310      4.013759
  O      -2.812461     -5.424908      4.889120
  C      -3.917749     -3.935089      3.423421
  C      -4.816295     -3.708418      2.368159
  C      -4.996120     -2.425647      1.853558
  C      -4.278004     -1.369153      2.395247
  F      -4.492945     -0.144943      1.882691
  C      -3.365546     -1.546481      3.463048
  C      -2.634777     -0.450583      4.084736
  O      -2.708121      0.730305      3.634438
  C      -1.818274     -0.653290      5.330520
  C      -3.213806     -2.856406      3.951571
  C      -7.153554     11.177143      2.532055
  C      -5.949684     10.267030      2.573306
  O      -4.948159     10.502380      1.907215
  C      -6.005750      9.047711      3.450040
  C      -7.128876      8.727279      4.230152
  C      -7.132104      7.587069      5.027543
  C      -6.005470      6.773007      5.041180
  F      -6.057489      5.672094      5.833972
  C      -4.854892      7.049301      4.281440
  C      -3.594389      6.229504      4.233389
  O      -2.679102      6.557451      3.491453
  C      -3.480074      5.000552      5.140681
  C      -4.892602      8.205101      3.488190
  C      -8.770352     -4.781001      3.934398
  C      -7.650851     -4.001182      4.581063
  O      -6.754737     -4.572021      5.196275
  C      -7.641440     -2.510056      4.438271
  C      -8.566239     -1.827661      3.629359
  C      -8.502725     -0.445039      3.493580
  C      -7.504974      0.249044      4.168854
  F      -7.476232      1.593249      4.016262
  C      -6.563487     -0.384717      4.997773
  C      -5.437314      0.294138      5.721629
  O      -4.821690     -0.307529      6.593629
  C      -5.017208      1.704653      5.286995
  C      -6.663806     -1.778085      5.117612
  H      -4.161989     -7.370111      4.039046
  H      -5.534600     -6.279956      3.663458
  H      -4.300765     -6.605598      2.423069
  H      -5.385332     -4.534557      1.941280
  H      -5.691808     -2.227107      1.038283
  H      -1.090264     -1.477305      5.184837
  H      -2.525065     -1.010151      6.115466
  H      -2.530271     -3.065049      4.775021
  H      -7.390814     11.559831      3.536593
  H      -8.040607     10.629143      2.177856
  H      -6.951354     12.016916      1.859475
  H      -8.011816      9.366709      4.222783
  H      -7.991549      7.316687      5.641213
  H      -3.643846      5.370160      6.175881
  H      -4.330264      4.341376      4.917618
  H      -4.017358      8.449109      2.884792
  H      -9.752386     -4.431145      4.286721
  H      -8.653586     -5.844135      4.168440
  H      -8.754459     -4.644707      2.841404
  H      -9.342977     -2.374989      3.095059
  H      -9.210066      0.108105      2.875618
  H      -5.827826      2.397791      5.592051
  H      -5.016337      1.727808      4.186390
  H      -5.945192     -2.298788      5.751476
  N      -0.460359      2.624744      3.836525
  N       0.474660      2.894132      3.008204
  H       0.472157      3.764961      2.467596
  H       1.182160      2.190766      2.777215
90
Coordinates from ORCA-job orca E -6562.074426906252
  N      -1.135404      0.574847      5.655984
  Mo     -1.915817      2.259249      4.861180
  N      -3.711943      2.103642      5.787785
  C      -3.725606      2.575607      7.169144
  C      -2.348002      2.383307      7.789654
  N      -1.230279      2.829403      6.877182
  C       0.005438      2.039666      7.162693
  C      -0.254304      0.576102      6.797055
  C      -0.990279      4.320370      6.978357
  C      -1.102392      4.938643      5.582946
  N      -2.240496      4.278287      4.940402
  H       0.712941      0.080793      6.582205
  H      -0.693614      0.029964      7.656265
  H       0.800327      2.464259      6.536812
  H       0.290883      2.149555      8.221876
  H      -1.236578      6.029029      5.656682
  H      -0.185992      4.754243      5.005861
  H      -1.769131      4.730828      7.635553
  H      -0.015593      4.506614      7.453313
  H      -4.436266      1.990461      7.776457
  H      -4.054622      3.631141      7.233307
  H      -2.202117      1.315709      7.980876
  H      -2.262414      2.918543      8.748610
  C      -4.498282     -6.462093      3.589371
  C      -3.680564     -5.297098      4.077344
  O      -2.838861     -5.420530      4.959337
  C      -3.917513     -3.944200      3.461131
  C      -4.809083     -3.725028      2.399093
  C      -4.972513     -2.448766      1.863245
  C      -4.245207     -1.391443      2.391516
  F      -4.446737     -0.174771      1.856859
  C      -3.339699     -1.561322      3.465904
  C      -2.610808     -0.459246      4.078850
  O      -2.680734      0.714931      3.614047
  C      -1.804813     -0.651946      5.334962
  C      -3.203402     -2.864995      3.974441
  C      -7.166067     11.166935      2.571419
  C      -5.963017     10.255313      2.601679
  O      -4.956596     10.505852      1.948893
  C      -6.020628      9.024785      3.462086
  C      -7.146754      8.691638      4.232230
  C      -7.148978      7.540993      5.014974
  C      -6.019507      6.731304      5.024855
  F      -6.071365      5.621375      5.805481
  C      -4.865784      7.019524      4.273786
  C      -3.601710      6.205697      4.221171
  O      -2.691230      6.537977      3.475372
  C      -3.480524      4.978628      5.129809
  C      -4.905924      8.185142      3.495730
  C      -8.816794     -4.742774      3.904333
  C      -7.694506     -3.976084      4.561955
  O      -6.814411     -4.557457      5.190138
  C      -7.662333     -2.486028      4.413465
  C      -8.570249     -1.794670      3.592848
  C      -8.486062     -0.414129      3.451381
  C      -7.484674      0.269515      4.132046
  F      -7.436045      1.612088      3.972701
  C      -6.558066     -0.373431      4.972239
  C      -5.426672      0.290695      5.701132
  O      -4.821566     -0.319149      6.574648
  C      -4.989667      1.696888      5.268698
  C      -6.680933     -1.764547      5.096677
  H      -4.189393     -7.368586      4.119348
  H      -5.565264     -6.270388      3.781886
  H      -4.371611     -6.606614      2.505678
  H      -5.387747     -4.550670      1.984878
  H      -5.663622     -2.255689      1.043094
  H      -1.092803     -1.492915      5.211142
  H      -2.522998     -0.978767      6.121718
  H      -2.527309     -3.068784      4.804796
  H      -7.405782     11.534791      3.580726
  H      -8.052329     10.625037      2.206697
  H      -6.961007     12.016361      1.912215
  H      -8.031251      9.328481      4.227830
  H      -8.010609      7.260638      5.620705
  H      -3.653913      5.343581      6.165271
  H      -4.325846      4.315214      4.902081
  H      -4.028969      8.439559      2.899112
  H      -9.797882     -4.375422      4.240510
  H      -8.719854     -5.806088      4.145676
  H      -8.783839     -4.613761      2.810989
  H      -9.348440     -2.334578      3.053601
  H      -9.181164      0.144458      2.824861
  H      -5.796540      2.397012      5.566765
  H      -4.979339      1.716954      4.167933
  H      -5.975964     -2.294217      5.738572
  N      -0.445227      2.646495      3.822743
  N       0.465220      3.018183      3.008247
  H       0.394988      3.904343      2.496874
  H       1.210261      2.370866      2.735719
90
Coordinates from ORCA-job orca E -6562.074863654413
  N      -1.083883      0.568601      5.641663
  Mo     -1.868117      2.250362      4.843567
  N      -3.666663      2.074207      5.761600
  C      -3.691608      2.539813      7.144929
  C      -2.313199      2.362939      7.768441
  N      -1.198776      2.824809      6.861154
  C       0.044955      2.047518      7.147540
  C      -0.197824      0.579885      6.779639
  C      -0.978173      4.317292      6.968334
  C      -1.095520      4.939345      5.575042
  N      -2.222289      4.268178      4.923940
  H       0.775361      0.098398      6.561020
  H      -0.626986      0.027046      7.639330
  H       0.836595      2.480826      6.523570
  H       0.327667      2.159427      8.207226
  H      -1.245014      6.027543      5.653450
  H      -0.174744      4.770760      5.000969
  H      -1.763639      4.715744      7.625164
  H      -0.007440      4.515649      7.446165
  H      -4.396869      1.944047      7.748124
  H      -4.034987      3.591001      7.212965
  H      -2.156305      1.296511      7.956817
  H      -2.236949      2.896449      8.729104
  C      -4.565814     -6.447020      3.687159
  C      -3.732902     -5.288805      4.165090
  O      -2.914271     -5.408687      5.069070
  C      -3.926443     -3.945958      3.512044
  C      -4.798234     -3.731383      2.432392
  C      -4.928694     -2.464972      1.867474
  C      -4.188970     -1.410221      2.384656
  F      -4.360917     -0.200679      1.824194
  C      -3.300740     -1.575253      3.474182
  C      -2.565333     -0.471886      4.077874
  O      -2.613240      0.694687      3.590830
  C      -1.780308     -0.649799      5.349352
  C      -3.196974     -2.870761      4.012122
  C      -7.229198     11.117630      2.612864
  C      -6.013197     10.223299      2.638910
  O      -5.011756     10.488940      1.984690
  C      -6.057686      8.982354      3.485230
  C      -7.181741      8.625970      4.249062
  C      -7.169334      7.467139      5.019222
  C      -6.029311      6.672791      5.024032
  F      -6.069123      5.554569      5.794988
  C      -4.878366      6.982776      4.278208
  C      -3.602727      6.185751      4.220148
  O      -2.695493      6.536840      3.480066
  C      -3.472046      4.951215      5.118895
  C      -4.933281      8.156072      3.512789
  C      -8.898435     -4.680762      3.882702
  C      -7.765529     -3.931061      4.540828
  O      -6.903310     -4.522088      5.184385
  C      -7.700232     -2.443580      4.376415
  C      -8.585155     -1.740261      3.540201
  C      -8.466127     -0.363887      3.384872
  C      -7.455760      0.304541      4.067314
  F      -7.375622      1.643809      3.892442
  C      -6.552291     -0.350258      4.923106
  C      -5.410364      0.291661      5.655885
  O      -4.823918     -0.329212      6.533952
  C      -4.945626      1.690056      5.228568
  C      -6.709152     -1.736457      5.059077
  H      -4.277962     -7.349911      4.234832
  H      -5.631313     -6.233933      3.865282
  H      -4.432085     -6.611029      2.607239
  H      -5.387578     -4.554038      2.027639
  H      -5.604156     -2.275863      1.033495
  H      -1.089826     -1.512553      5.260189
  H      -2.520219     -0.933512      6.132424
  H      -2.536914     -3.071473      4.855942
  H      -7.473953     11.476772      3.623992
  H      -8.108186     10.566568      2.244652
  H      -7.034133     11.972941      1.958224
  H      -8.074550      9.250948      4.248594
  H      -8.028620      7.168944      5.619734
  H      -3.650296      5.302831      6.157659
  H      -4.310752      4.283076      4.882927
  H      -4.058422      8.427996      2.920633
  H      -9.873851     -4.287153      4.205121
  H      -8.826914     -5.742607      4.138886
  H      -8.853098     -4.567086      2.788173
  H      -9.371060     -2.267238      2.999441
  H      -9.142821      0.202756      2.745590
  H      -5.745850      2.401842      5.517797
  H      -4.923810      1.710260      4.127947
  H      -6.021659     -2.276680      5.711281
  N      -0.392164      2.673426      3.830740
  N       0.505502      3.128222      3.043870
  H       0.392194      4.030579      2.568863
  H       1.276754      2.527784      2.739508
90
Coordinates from ORCA-job orca E -6562.075230467745
  N      -1.095087      0.567744      5.644856
  Mo     -1.888406      2.251374      4.860682
  N      -3.680153      2.073973      5.791572
  C      -3.697902      2.532653      7.176474
  C      -2.319771      2.338314      7.794641
  N      -1.210208      2.808327      6.888892
  C       0.032541      2.030212      7.166993
  C      -0.206028      0.566407      6.780777
  C      -0.993828      4.298010      7.010816
  C      -1.113722      4.930664      5.623496
  N      -2.239973      4.269687      4.963357
  H       0.768853      0.095295      6.551018
  H      -0.631548     -0.001711      7.631246
  H       0.825679      2.469269      6.548785
  H       0.313571      2.130722      8.228279
  H      -1.263931      6.018518      5.711374
  H      -0.192430      4.769044      5.049494
  H      -1.780860      4.690161      7.669880
  H      -0.024716      4.495820      7.491795
  H      -4.411175      1.946198      7.779089
  H      -4.026218      3.588507      7.250160
  H      -2.170291      1.267661      7.964571
  H      -2.236461      2.857681      8.762463
  C      -4.565539     -6.438261      3.637026
  C      -3.718043     -5.287379      4.106568
  O      -2.895137     -5.413524      5.005915
  C      -3.903877     -3.942718      3.454144
  C      -4.785033     -3.719506      2.383103
  C      -4.922661     -2.450231      1.830409
  C      -4.183705     -1.396575      2.352825
  F      -4.364745     -0.181619      1.808226
  C      -3.285882     -1.569218      3.433521
  C      -2.562764     -0.465811      4.052845
  O      -2.628431      0.707324      3.584583
  C      -1.766342     -0.656481      5.314867
  C      -3.171910     -2.870748      3.957581
  C      -7.174053     11.131112      2.544993
  C      -5.969474     10.221896      2.583247
  O      -4.965842     10.463769      1.923509
  C      -6.030226      8.993547      3.446876
  C      -7.160601      8.659859      4.213676
  C      -7.159683      7.512390      5.000021
  C      -6.028170      6.706646      5.020064
  F      -6.083659      5.600808      5.810268
  C      -4.873579      6.991294      4.271514
  C      -3.604634      6.179369      4.224903
  O      -2.696350      6.508032      3.477820
  C      -3.490202      4.956907      5.145675
  C      -4.916667      8.154255      3.489805
  C      -8.878499     -4.712568      3.932345
  C      -7.747019     -3.953589      4.580442
  O      -6.874750     -4.533438      5.220095
  C      -7.696017     -2.465410      4.415467
  C      -8.590471     -1.766164      3.584692
  C      -8.477469     -0.389349      3.430304
  C      -7.467827      0.285585      4.107114
  F      -7.400836      1.626212      3.933168
  C      -6.556219     -0.364410      4.957358
  C      -5.410174      0.278986      5.684359
  O      -4.817353     -0.343512      6.556265
  C      -4.962636      1.685744      5.268529
  C      -6.706126     -1.750883      5.090233
  H      -4.250811     -7.351732      4.151395
  H      -5.623381     -6.234512      3.865889
  H      -4.483677     -6.577080      2.548742
  H      -5.376411     -4.539621      1.976387
  H      -5.603945     -2.255415      1.002427
  H      -1.058575     -1.501170      5.187991
  H      -2.490958     -0.978956      6.095026
  H      -2.505350     -3.080485      4.794022
  H      -7.406998     11.515050      3.549754
  H      -8.063933     10.587337      2.193214
  H      -6.967554     11.968929      1.871392
  H      -8.046757      9.293906      4.200608
  H      -8.023554      7.231734      5.602497
  H      -3.668424      5.318862      6.179698
  H      -4.333028      4.293266      4.912525
  H      -4.037853      8.407701      2.894920
  H      -9.854351     -4.321922      4.256690
  H      -8.799259     -5.772346      4.195089
  H      -8.839394     -4.605628      2.836953
  H      -9.377281     -2.295661      3.047713
  H      -9.162750      0.171863      2.795313
  H      -5.769497      2.382686      5.575907
  H      -4.955742      1.720556      4.167977
  H      -6.011835     -2.291035      5.735699
  N      -0.421166      2.692310      3.838488
  N       0.431040      3.212313      3.038807
  H       0.250002      4.113284      2.580624
  H       1.208344      2.654225      2.674906
90
Coordinates from ORCA-job orca E -6562.075639640606
  N      -1.032495      0.562935      5.620511
  Mo     -1.843072      2.238551      4.840136
  N      -3.636686      2.042212      5.770258
  C      -3.662437      2.502883      7.153182
  C      -2.285506      2.320614      7.776201
  N      -1.181253      2.804541      6.871171
  C       0.073839      2.042535      7.144957
  C      -0.144665      0.576604      6.758043
  C      -0.985285      4.297519      6.994634
  C      -1.105115      4.927655      5.606457
  N      -2.220409      4.254801      4.938344
  H       0.836371      0.116783      6.532308
  H      -0.566482      0.005549      7.608517
  H       0.857620      2.492634      6.522404
  H       0.358396      2.147236      8.204730
  H      -1.266383      6.014308      5.691087
  H      -0.177681      4.773667      5.040251
  H      -1.779972      4.677700      7.651788
  H      -0.021205      4.509043      7.480119
  H      -4.374480      1.909504      7.750858
  H      -4.001725      3.556392      7.225457
  H      -2.126424      1.250734      7.945453
  H      -2.204540      2.838785      8.744658
  C      -4.588243     -6.439764      3.766829
  C      -3.734706     -5.287206      4.220788
  O      -2.921313     -5.399699      5.130671
  C      -3.905462     -3.954418      3.538883
  C      -4.779203     -3.745821      2.457738
  C      -4.901658     -2.488371      1.876298
  C      -4.155801     -1.430442      2.379361
  F      -4.319728     -0.224234      1.809888
  C      -3.264297     -1.588414      3.468185
  C      -2.525857     -0.482818      4.064882
  O      -2.575311      0.682946      3.574642
  C      -1.736936     -0.654003      5.332794
  C      -3.165989     -2.879005      4.022649
  C      -7.237724     11.091894      2.608848
  C      -6.027716     10.189192      2.618417
  O      -5.025167     10.455872      1.966339
  C      -6.069108      8.950971      3.469794
  C      -7.190692      8.598094      4.241655
  C      -7.175375      7.442510      5.015085
  C      -6.036525      6.646498      5.018084
  F      -6.077737      5.530254      5.794544
  C      -4.890066      6.951235      4.265930
  C      -3.613116      6.151424      4.206029
  O      -2.713788      6.490869      3.453256
  C      -3.478843      4.925404      5.121034
  C      -4.946538      8.121723      3.495584
  C      -8.970595     -4.629466      3.851536
  C      -7.819873     -3.901422      4.500237
  O      -6.959248     -4.505233      5.134533
  C      -7.734593     -2.413314      4.343053
  C      -8.610544     -1.690338      3.512882
  C      -8.466778     -0.315093      3.366081
  C      -7.446167      0.334375      4.050816
  F      -7.352009      1.674958      3.885229
  C      -6.553262     -0.338902      4.900849
  C      -5.398862      0.278713      5.638468
  O      -4.824306     -0.359595      6.511237
  C      -4.919530      1.677260      5.230629
  C      -6.730886     -1.723302      5.026034
  H      -4.284470     -7.345843      4.301117
  H      -5.645270     -6.220538      3.986802
  H      -4.501232     -6.601022      2.681815
  H      -5.373846     -4.570285      2.064038
  H      -5.574813     -2.305400      1.038515
  H      -1.052609     -1.521073      5.245556
  H      -2.480788     -0.921084      6.117857
  H      -2.503645     -3.076807      4.865812
  H      -7.464466     11.453076      3.623823
  H      -8.127777     10.550839      2.252840
  H      -7.041425     11.945313      1.951538
  H      -8.083028      9.224190      4.242539
  H      -8.032817      7.146239      5.619842
  H      -3.662932      5.281234      6.155859
  H      -4.311175      4.249765      4.882659
  H      -4.073941      8.389547      2.897704
  H      -9.936445     -4.218209      4.181206
  H      -8.915074     -5.692417      4.108578
  H      -8.931808     -4.517084      2.756459
  H      -9.408429     -2.198426      2.970907
  H      -9.136358      0.265283      2.730998
  H      -5.716648      2.390169      5.529062
  H      -4.901086      1.714639      4.130397
  H      -6.049994     -2.279848      5.671834
  N      -0.378620      2.709701      3.833996
  N       0.455661      3.297066      3.057140
  H       0.231065      4.202466      2.628194
  H       1.257345      2.787320      2.677312
90
Coordinates from ORCA-job orca E -6562.075803944801
  N      -1.069528      0.562956      5.644723
  Mo     -1.866063      2.238145      4.852923
  N      -3.665274      2.061551      5.778940
  C      -3.688130      2.533215      7.158136
  C      -2.314240      2.336511      7.786428
  N      -1.205492      2.809930      6.878553
  C       0.051024      2.046560      7.151857
  C      -0.169120      0.580430      6.771342
  C      -1.001342      4.304240      6.995042
  C      -1.101880      4.925282      5.601672
  N      -2.220303      4.257033      4.932916
  H       0.810044      0.119205      6.537776
  H      -0.582122      0.010706      7.628201
  H       0.831795      2.494786      6.523874
  H       0.340126      2.156033      8.209814
  H      -1.251194      6.014406      5.674414
  H      -0.171316      4.753789      5.044200
  H      -1.799273      4.691736      7.644132
  H      -0.040272      4.512215      7.488606
  H      -4.409096      1.949428      7.754883
  H      -4.017230      3.590995      7.224100
  H      -2.166205      1.264564      7.956057
  H      -2.223701      2.853932      8.754232
  C      -4.511791     -6.472493      3.712496
  C      -3.691744     -5.305785      4.191989
  O      -2.872960     -5.414361      5.097412
  C      -3.898175     -3.965342      3.534707
  C      -4.782350     -3.757387      2.461393
  C      -4.927548     -2.494154      1.895747
  C      -4.192550     -1.432462      2.405012
  F      -4.371288     -0.221763      1.848927
  C      -3.293252     -1.589912      3.487618
  C      -2.550602     -0.487378      4.083912
  O      -2.601412      0.682251      3.600032
  C      -1.752652     -0.663464      5.343377
  C      -3.174302     -2.884065      4.028273
  C      -7.206436     11.123410      2.609050
  C      -6.000489     10.214868      2.614035
  O      -4.999407     10.475565      1.956776
  C      -6.043951      8.976912      3.465751
  C      -7.163403      8.630718      4.243487
  C      -7.153889      7.475566      5.017314
  C      -6.020045      6.671414      5.013848
  F      -6.063761      5.554078      5.786678
  C      -4.875248      6.971386      4.257760
  C      -3.604714      6.163630      4.196433
  O      -2.703742      6.494674      3.440991
  C      -3.471259      4.939855      5.114510
  C      -4.924522      8.141514      3.485478
  C      -8.945181     -4.649524      3.846523
  C      -7.792443     -3.919299      4.489430
  O      -6.919541     -4.524305      5.106348
  C      -7.721968     -2.428673      4.346324
  C      -8.611851     -1.707294      3.530522
  C      -8.487123     -0.328176      3.398796
  C      -7.470137      0.325612      4.084415
  F      -7.393874      1.669419      3.934949
  C      -6.562685     -0.345714      4.918950
  C      -5.415055      0.284521      5.657005
  O      -4.832232     -0.345978      6.530445
  C      -4.944296      1.683234      5.239584
  C      -6.719878     -1.734493      5.032053
  H      -4.189065     -7.379092      4.235221
  H      -5.576049     -6.283436      3.926975
  H      -4.411137     -6.615114      2.625666
  H      -5.364422     -4.587379      2.059711
  H      -5.607302     -2.310993      1.062929
  H      -1.051310     -1.514883      5.238551
  H      -2.485077     -0.955294      6.132450
  H      -2.502870     -3.080660      4.865045
  H      -7.425032     11.486536      3.625530
  H      -8.101514     10.586131      2.259016
  H      -7.010905     11.975938      1.950003
  H      -8.051943      9.262884      4.249802
  H      -8.010378      7.183939      5.626201
  H      -3.649073      5.305044      6.147481
  H      -4.306365      4.264554      4.881118
  H      -4.052787      8.404295      2.884187
  H      -9.910495     -4.250353      4.193274
  H      -8.878335     -5.715211      4.090140
  H      -8.920379     -4.522887      2.752294
  H      -9.408869     -2.217579      2.988688
  H      -9.167359      0.252722      2.775047
  H      -5.744458      2.395249      5.532820
  H      -4.925870      1.715330      4.139296
  H      -6.027400     -2.287398      5.668409
  N      -0.402528      2.689136      3.838408
  N       0.404841      3.229296      2.998131
  H       0.185143      4.129968      2.558726
  H       1.209715      2.710336      2.639424
90
Coordinates from ORCA-job orca E -6562.076457343712
  N      -1.064718      0.560475      5.634235
  Mo     -1.877396      2.228179      4.852870
  N      -3.666544      2.048651      5.792371
  C      -3.684930      2.519079      7.171703
  C      -2.308466      2.318512      7.791513
  N      -1.208753      2.802054      6.879071
  C       0.053364      2.046692      7.142521
  C      -0.159560      0.580453      6.757754
  C      -1.015217      4.297484      6.998810
  C      -1.117523      4.920675      5.606659
  N      -2.231484      4.246388      4.935382
  H       0.821290      0.127576      6.515727
  H      -0.564376      0.003832      7.613485
  H       0.828580      2.502100      6.513069
  H       0.346417      2.153004      8.199797
  H      -1.273076      6.008753      5.681092
  H      -0.183307      4.757347      5.053254
  H      -1.814979      4.678386      7.649186
  H      -0.054718      4.510250      7.491684
  H      -4.405146      1.935143      7.769149
  H      -4.010044      3.577150      7.241238
  H      -2.155860      1.245687      7.951168
  H      -2.213458      2.828003      8.763108
  C      -4.493775     -6.487901      3.737817
  C      -3.674852     -5.317175      4.207720
  O      -2.851718     -5.419448      5.109871
  C      -3.887009     -3.980651      3.544790
  C      -4.775145     -3.779349      2.474108
  C      -4.926150     -2.517855      1.904895
  C      -4.192412     -1.452718      2.407982
  F      -4.376997     -0.245012      1.847974
  C      -3.290010     -1.603588      3.488532
  C      -2.551847     -0.496142      4.080471
  O      -2.615026      0.672523      3.597426
  C      -1.745415     -0.669214      5.336252
  C      -3.164515     -2.895516      4.031860
  C      -7.161145     11.148532      2.610766
  C      -5.958001     10.236491      2.627403
  O      -4.956248     10.486282      1.967058
  C      -6.019551      8.989880      3.464915
  C      -7.146691      8.647698      4.232501
  C      -7.153546      7.485161      4.995371
  C      -6.027663      6.669623      4.990596
  F      -6.086971      5.544880      5.750536
  C      -4.875509      6.965562      4.243600
  C      -3.613051      6.146991      4.182033
  O      -2.710712      6.467525      3.422920
  C      -3.483668      4.928615      5.107164
  C      -4.908931      8.143112      3.482094
  C      -8.951424     -4.646280      3.826125
  C      -7.794751     -3.922742      4.469940
  O      -6.919169     -4.535026      5.075958
  C      -7.724625     -2.431224      4.340293
  C      -8.616032     -1.704429      3.531386
  C      -8.493436     -0.324317      3.410490
  C      -7.475916      0.324873      4.099692
  F      -7.400413      1.669657      3.959825
  C      -6.565640     -0.352380      4.927172
  C      -5.417294      0.273927      5.667453
  O      -4.832165     -0.360928      6.536091
  C      -4.947349      1.674322      5.253962
  C      -6.722201     -1.742133      5.030593
  H      -4.142984     -7.397551      4.236350
  H      -5.550649     -6.311285      3.997976
  H      -4.435423     -6.614756      2.646506
  H      -5.358334     -4.611550      2.079202
  H      -5.610344     -2.339060      1.075006
  H      -1.040279     -1.516647      5.227493
  H      -2.470559     -0.962668      6.130816
  H      -2.492049     -3.087201      4.868598
  H      -7.382205     11.517862      3.624294
  H      -8.056580     10.612409      2.260187
  H      -6.960100     11.996949      1.948314
  H      -8.028387      9.289091      4.240317
  H      -8.016356      7.196350      5.596298
  H      -3.667896      5.298799      6.137495
  H      -4.317186      4.252213      4.871522
  H      -4.031533      8.403344      2.888282
  H      -9.914532     -4.246904      4.178202
  H      -8.886820     -5.713705      4.061876
  H      -8.929331     -4.512333      2.732825
  H      -9.412266     -2.211089      2.985487
  H      -9.174839      0.260587      2.792079
  H      -5.746191      2.386079      5.550070
  H      -4.929624      1.709613      4.153698
  H      -6.028618     -2.299779      5.661534
  N      -0.425739      2.698848      3.824682
  N       0.320364      3.333344      2.994215
  H       0.027471      4.236973      2.606482
  H       1.150098      2.889900      2.595425
90
Coordinates from ORCA-job orca E -6562.077828820300
  N      -1.075391      0.558252      5.631286
  Mo     -1.898258      2.219115      4.857438
  N      -3.681969      2.047154      5.804000
  C      -3.698143      2.515623      7.184010
  C      -2.322740      2.295927      7.798890
  N      -1.227551      2.789952      6.889881
  C       0.036711      2.041147      7.148378
  C      -0.168870      0.575123      6.754401
  C      -1.045188      4.284281      7.020530
  C      -1.132959      4.912610      5.629953
  N      -2.241571      4.238723      4.947192
  H       0.814186      0.132477      6.503437
  H      -0.567419     -0.012201      7.604998
  H       0.811223      2.503667      6.523825
  H       0.326880      2.140645      8.207322
  H      -1.290755      6.000170      5.706686
  H      -0.191406      4.755298      5.088518
  H      -1.855951      4.657951      7.660758
  H      -0.092737      4.500833      7.527481
  H      -4.426408      1.940937      7.780536
  H      -4.007426      3.577103      7.257092
  H      -2.174221      1.220113      7.937479
  H      -2.224158      2.788192      8.779270
  C      -4.489796     -6.496229      3.712876
  C      -3.665901     -5.327056      4.176772
  O      -2.858722     -5.426036      5.093367
  C      -3.871949     -3.991067      3.511334
  C      -4.758224     -3.787206      2.440931
  C      -4.910835     -2.522981      1.877101
  C      -4.178557     -1.459130      2.385072
  F      -4.369812     -0.250485      1.830806
  C      -3.276734     -1.612933      3.464649
  C      -2.549587     -0.502765      4.064248
  O      -2.627053      0.667117      3.589520
  C      -1.737107     -0.678768      5.318465
  C      -3.149606     -2.906852      4.001963
  C      -7.071776     11.191489      2.596358
  C      -5.886932     10.255838      2.612411
  O      -4.873772     10.497194      1.966948
  C      -5.973441      9.008329      3.445642
  C      -7.110777      8.680697      4.203536
  C      -7.138949      7.515780      4.962744
  C      -6.024183      6.684886      4.964743
  F      -6.104478      5.559826      5.721099
  C      -4.862345      6.966228      4.226135
  C      -3.611603      6.131666      4.170016
  O      -2.707873      6.431249      3.403334
  C      -3.493387      4.924926      5.110996
  C      -4.875887      8.146420      3.468935
  C      -8.933578     -4.684378      3.883886
  C      -7.775065     -3.949947      4.512950
  O      -6.890118     -4.553289      5.113370
  C      -7.714296     -2.459811      4.372718
  C      -8.612581     -1.743973      3.561888
  C      -8.497706     -0.364631      3.430589
  C      -7.481025      0.295079      4.111571
  F      -7.410760      1.638207      3.959078
  C      -6.563489     -0.372213      4.941400
  C      -5.416826      0.262613      5.676338
  O      -4.820079     -0.370440      6.537930
  C      -4.962786      1.670078      5.268400
  C      -6.714357     -1.761319      5.053621
  H      -4.119629     -7.411318      4.186043
  H      -5.536462     -6.326167      4.016596
  H      -4.475518     -6.606869      2.619466
  H      -5.345126     -4.616519      2.047040
  H      -5.597832     -2.340632      1.050946
  H      -1.017434     -1.512000      5.192883
  H      -2.449281     -0.995389      6.112893
  H      -2.482438     -3.101008      4.841618
  H      -7.283934     11.563090      3.610674
  H      -7.977816     10.675079      2.245066
  H      -6.852989     12.037131      1.936556
  H      -7.982496      9.334861      4.206371
  H      -8.009744      7.237571      5.556294
  H      -3.677931      5.305857      6.137574
  H      -4.329815      4.251897      4.878846
  H      -3.991313      8.396138      2.881702
  H      -9.895176     -4.282605      4.236057
  H      -8.865812     -5.748716      4.130567
  H      -8.917038     -4.563111      2.789319
  H      -9.405853     -2.258448      3.020086
  H      -9.184219      0.210622      2.809580
  H      -5.767345      2.370905      5.572077
  H      -4.949283      1.712482      4.168058
  H      -6.016734     -2.313102      5.685302
  N      -0.451255      2.710632      3.813489
  N       0.159046      3.482056      2.992834
  H      -0.258271      4.373115      2.698402
  H       1.010001      3.170573      2.522275
90
Coordinates from ORCA-job orca E -6562.079515567683
  N      -1.082003      0.558317      5.624598
  Mo     -1.918930      2.212062      4.865932
  N      -3.701463      2.044944      5.816550
  C      -3.715034      2.508373      7.198233
  C      -2.340418      2.270939      7.808487
  N      -1.248586      2.775760      6.904964
  C       0.019043      2.034438      7.156897
  C      -0.177509      0.570540      6.749937
  C      -1.076930      4.267749      7.052217
  C      -1.142440      4.903712      5.664324
  N      -2.246335      4.235470      4.964483
  H       0.807731      0.136460      6.493908
  H      -0.573408     -0.027487      7.593560
  H       0.791038      2.507465      6.537737
  H       0.307076      2.124771      8.217375
  H      -1.297700      5.991320      5.743093
  H      -0.192967      4.747822      5.137529
  H      -1.902535      4.632524      7.677627
  H      -0.136251      4.485532      7.580544
  H      -4.449205      1.939640      7.793115
  H      -4.012779      3.571732      7.277723
  H      -2.195963      1.192795      7.926532
  H      -2.238629      2.746039      8.797330
  C      -4.484445     -6.502372      3.677223
  C      -3.659962     -5.334171      4.142184
  O      -2.863132     -5.433964      5.067330
  C      -3.860737     -3.996698      3.478505
  C      -4.742617     -3.788303      2.406991
  C      -4.895980     -2.520171      1.850820
  C      -4.166839     -1.458555      2.367642
  F      -4.363848     -0.247760      1.820795
  C      -3.266788     -1.617514      3.446977
  C      -2.547748     -0.507510      4.054228
  O      -2.638233      0.665093      3.591584
  C      -1.725089     -0.687016      5.304177
  C      -3.139301     -2.914428      3.976257
  C      -6.971555     11.232735      2.565718
  C      -5.801410     10.279396      2.593813
  O      -4.778795     10.506767      1.958773
  C      -5.913832      9.033683      3.426084
  C      -7.061382      8.723284      4.174322
  C      -7.112540      7.558321      4.932920
  C      -6.009886      6.711394      4.943853
  F      -6.111280      5.588148      5.698692
  C      -4.838226      6.975779      4.212970
  C      -3.601211      6.123508      4.165279
  O      -2.694355      6.400839      3.392631
  C      -3.497310      4.927312      5.120607
  C      -4.830065      8.156338      3.457312
  C      -8.902035     -4.733603      3.942744
  C      -7.742607     -3.984398      4.554074
  O      -6.845971     -4.575854      5.147597
  C      -7.696396     -2.495580      4.404647
  C      -8.606227     -1.793079      3.595554
  C      -8.503797     -0.414235      3.453546
  C      -7.487572      0.258113      4.123612
  F      -7.425480      1.599544      3.959556
  C      -6.559601     -0.397279      4.953644
  C      -5.415618      0.248997      5.681013
  O      -4.805165     -0.380729      6.535139
  C      -4.981533      1.665968      5.283124
  C      -6.699514     -1.786031      5.074027
  H      -4.111497     -7.419993      4.142305
  H      -5.525674     -6.331004      3.997241
  H      -4.486431     -6.608089      2.584361
  H      -5.330857     -4.614401      2.010031
  H      -5.583729     -2.333097      1.027113
  H      -0.991194     -1.505652      5.164989
  H      -2.422029     -1.023680      6.100623
  H      -2.477819     -3.111571      4.818969
  H      -7.181630     11.611700      3.577363
  H      -7.883411     10.729454      2.212218
  H      -6.736204     12.072415      1.904697
  H      -7.922568      9.390397      4.170525
  H      -7.991259      7.292741      5.519523
  H      -3.682561      5.317275      6.143592
  H      -4.336834      4.258664      4.889973
  H      -3.938226      8.393199      2.876359
  H      -9.862557     -4.335128      4.300025
  H      -8.824885     -5.794907      4.197482
  H      -8.895562     -4.622522      2.847398
  H      -9.396950     -2.317522      3.060826
  H      -9.198106      0.150414      2.832467
  H      -5.791972      2.354354      5.596791
  H      -4.973449      1.718763      4.182995
  H      -5.994223     -2.328843      5.704682
  N      -0.484629      2.728397      3.789239
  N      -0.085103      3.622312      2.969625
  H      -0.653160      4.461205      2.792706
  H       0.757029      3.473564      2.412937
90
Coordinates from ORCA-job orca E -6562.080240120855
  N      -1.087541      0.559840      5.613427
  Mo     -1.938635      2.206980      4.871256
  N      -3.719999      2.043168      5.825758
  C      -3.730049      2.501623      7.209378
  C      -2.355476      2.246795      7.814067
  N      -1.267418      2.762575      6.915857
  C       0.003706      2.028836      7.160388
  C      -0.184113      0.567238      6.740278
  C      -1.106424      4.252067      7.079743
  C      -1.150538      4.895980      5.694774
  N      -2.250330      4.233894      4.978396
  H       0.803094      0.141875      6.478516
  H      -0.576656     -0.041543      7.577009
  H       0.772624      2.512481      6.546259
  H       0.290432      2.109755      8.222108
  H      -1.302896      5.983655      5.775777
  H      -0.193741      4.741142      5.182191
  H      -1.946065      4.608123      7.690479
  H      -0.177630      4.470544      7.628761
  H      -4.469153      1.938414      7.803297
  H      -4.016897      3.566483      7.295598
  H      -2.215015      1.166737      7.911325
  H      -2.250013      2.704471      8.811069
  C      -4.479813     -6.506771      3.640074
  C      -3.654504     -5.339571      4.105781
  O      -2.867690     -5.440234      5.038989
  C      -3.850209     -4.000598      3.444004
  C      -4.728208     -3.787578      2.371879
  C      -4.882488     -2.515567      1.823477
  C      -4.156099     -1.456329      2.348743
  F      -4.359064     -0.243504      1.809352
  C      -3.257231     -1.620515      3.427284
  C      -2.545729     -0.510873      4.041717
  O      -2.649013      0.664173      3.591524
  C      -1.712195     -0.693499      5.286532
  C      -3.129261     -2.920390      3.948449
  C      -6.870748     11.273602      2.533493
  C      -5.715559     10.302967      2.573554
  O      -4.683979     10.516143      1.948696
  C      -5.853549      9.059616      3.404948
  C      -7.010778      8.766620      4.143738
  C      -7.084637      7.602077      4.901783
  C      -5.994303      6.739414      4.921487
  F      -6.116446      5.618429      5.674919
  C      -4.813290      6.986688      4.198091
  C      -3.590247      6.117067      4.158550
  O      -2.680780      6.372260      3.380049
  C      -3.500248      4.931513      5.127743
  C      -4.783746      8.167187      3.443938
  C      -8.867935     -4.783741      4.004136
  C      -7.707728     -4.019179      4.596374
  O      -6.798917     -4.598102      5.182292
  C      -7.676826     -2.531929      4.437367
  C      -8.598994     -1.843447      3.630734
  C      -8.509703     -0.465306      3.477578
  C      -7.493789      0.220183      4.135574
  F      -7.440580      1.559753      3.959524
  C      -6.554544     -0.422661      4.965148
  C      -5.413007      0.235541      5.683825
  O      -4.788099     -0.390271      6.530069
  C      -4.999630      1.661732      5.295671
  C      -6.682897     -1.810919      5.094143
  H      -4.104499     -7.426768      4.097533
  H      -5.515389     -6.333876      3.975946
  H      -4.497714     -6.608061      2.548071
  H      -5.318086     -4.610374      1.972196
  H      -5.571427     -2.323735      1.002641
  H      -0.964649     -1.497328      5.133794
  H      -2.393111     -1.049449      6.085177
  H      -2.473063     -3.120590      4.793818
  H      -7.078446     11.659991      3.542431
  H      -7.788206     10.783385      2.177944
  H      -6.619141     12.106988      1.871201
  H      -7.861256      9.446413      4.133446
  H      -7.970873      7.349252      5.481630
  H      -3.685455      5.330349      6.147242
  H      -4.343065      4.267447      4.898998
  H      -3.885027      8.391078      2.869078
  H      -9.827185     -4.388824      4.367197
  H      -8.780669     -5.841750      4.267095
  H      -8.872390     -4.683292      2.908169
  H      -9.387274     -2.378242      3.103946
  H      -9.212424      0.088223      2.856964
  H      -5.815646      2.337334      5.619897
  H      -4.998113      1.724698      4.195863
  H      -5.969312     -2.344259      5.723256
  N      -0.518906      2.746899      3.760028
  N      -0.350357      3.746964      2.991381
  H      -1.054395      4.497672      2.954092
  H       0.449508      3.780065      2.359738
90
Coordinates from ORCA-job orca E -6562.080249356599
  N      -1.084455      0.564598      5.616445
  Mo     -1.928935      2.214851      4.874047
  N      -3.723906      2.045179      5.810309
  C      -3.742652      2.496637      7.196647
  C      -2.370973      2.245963      7.810790
  N      -1.273960      2.761384      6.923363
  C      -0.005784      2.025445      7.177153
  C      -0.194312      0.566509      6.753193
  C      -1.109625      4.249165      7.095701
  C      -1.140283      4.898517      5.713041
  N      -2.238843      4.244210      4.986240
  H       0.793339      0.134520      6.504680
  H      -0.600170     -0.039614      7.585520
  H       0.767486      2.510153      6.569486
  H       0.273336      2.103917      8.241001
  H      -1.287291      5.986598      5.796098
  H      -0.182145      4.739043      5.204231
  H      -1.955259      4.604492      7.698282
  H      -0.186762      4.462188      7.656634
  H      -4.481057      1.926421      7.784791
  H      -4.037965      3.558831      7.286276
  H      -2.230401      1.166430      7.910371
  H      -2.274057      2.704797      8.808214
  C      -4.512325     -6.481903      3.607479
  C      -3.682570     -5.322120      4.085008
  O      -2.909541     -5.430644      5.028642
  C      -3.856454     -3.981240      3.421152
  C      -4.711676     -3.762304      2.332381
  C      -4.848279     -2.488901      1.782571
  C      -4.126998     -1.434178      2.323621
  F      -4.314608     -0.219330      1.782325
  C      -3.247806     -1.604864      3.417284
  C      -2.537645     -0.500761      4.041741
  O      -2.631844      0.676852      3.595212
  C      -1.712257     -0.687292      5.292385
  C      -3.137202     -2.906185      3.939333
  C      -6.873092     11.266247      2.515822
  C      -5.712741     10.302726      2.567611
  O      -4.683157     10.513030      1.938610
  C      -5.846693      9.064736      3.407773
  C      -7.002230      8.773416      4.149220
  C      -7.072823      7.613365      4.914738
  C      -5.980587      6.753475      4.938383
  F      -6.098223      5.637272      5.699301
  C      -4.800949      6.999319      4.211467
  C      -3.577092      6.131560      4.175116
  O      -2.665616      6.389575      3.399223
  C      -3.489866      4.941151      5.137944
  C      -4.774647      8.175425      3.450702
  C      -8.859906     -4.811306      4.063351
  C      -7.700767     -4.035892      4.644172
  O      -6.791426     -4.604463      5.238693
  C      -7.671523     -2.551183      4.464458
  C      -8.595905     -1.874367      3.650801
  C      -8.507100     -0.498645      3.476721
  C      -7.488794      0.195602      4.122124
  F      -7.433858      1.532263      3.927108
  C      -6.548714     -0.436051      4.959619
  C      -5.407053      0.231085      5.668230
  O      -4.783823     -0.384210      6.523588
  C      -4.998990      1.657829      5.275728
  C      -6.676592     -1.821917      5.108619
  H      -4.182523     -7.398540      4.104734
  H      -5.559261     -6.279255      3.882696
  H      -4.472237     -6.609642      2.518785
  H      -5.298152     -4.581291      1.920374
  H      -5.520891     -2.292616      0.949572
  H      -0.967124     -1.495132      5.150368
  H      -2.400605     -1.037776      6.086444
  H      -2.497384     -3.109492      4.796311
  H      -7.088260     11.657557      3.521108
  H      -7.785327     10.767651      2.158821
  H      -6.624071     12.097134      1.849652
  H      -7.854495      9.450669      4.135771
  H      -7.957379      7.362085      5.497465
  H      -3.676951      5.333984      6.159111
  H      -4.331833      4.278040      4.904638
  H      -3.877228      8.397682      2.873414
  H      -9.819535     -4.416255      4.424850
  H      -8.767829     -5.865816      4.337909
  H      -8.867353     -4.723373      2.966498
  H      -9.385540     -2.417120      3.134554
  H      -9.210581      0.046767      2.850169
  H      -5.818272      2.331734      5.595094
  H      -4.994022      1.716809      4.175740
  H      -5.961430     -2.344866      5.744268
  N      -0.503462      2.751325      3.760712
  N      -0.390166      3.713858      2.937398
  H      -1.060102      4.496796      2.959889
  H       0.380292      3.727009      2.268596
90
Coordinates from ORCA-job orca E -6562.080473816087
  N      -1.098732      0.566410      5.618184
  Mo     -1.936966      2.218828      4.873269
  N      -3.734196      2.053269      5.806225
  C      -3.754584      2.507555      7.191844
  C      -2.385010      2.255875      7.809243
  N      -1.283663      2.765620      6.923348
  C      -0.019369      2.024713      7.181632
  C      -0.213437      0.566241      6.758823
  C      -1.112356      4.252814      7.093651
  C      -1.139168      4.899902      5.710719
  N      -2.239965      4.249432      4.985457
  H       0.773027      0.128638      6.515524
  H      -0.626167     -0.036421      7.590381
  H       0.757542      2.505626      6.575488
  H       0.257243      2.103321      8.246115
  H      -1.281260      5.988785      5.791957
  H      -0.181943      4.734715      5.201552
  H      -1.957016      4.612628      7.694989
  H      -0.189018      4.462168      7.655159
  H      -4.495130      1.939947      7.779771
  H      -4.048018      3.570656      7.278327
  H      -2.247698      1.176186      7.911936
  H      -2.288827      2.717022      8.805681
  C      -4.528995     -6.475830      3.590251
  C      -3.700577     -5.317714      4.074369
  O      -2.929784     -5.429366      5.019535
  C      -3.870015     -3.975636      3.411809
  C      -4.720102     -3.754589      2.319354
  C      -4.853117     -2.480537      1.770434
  C      -4.133637     -1.427030      2.316136
  F      -4.316702     -0.211253      1.775024
  C      -3.259304     -1.599764      3.413598
  C      -2.549790     -0.497357      4.041496
  O      -2.643043      0.681316      3.597779
  C      -1.724777     -0.685727      5.291146
  C      -3.152197     -2.901903      3.934741
  C      -6.868080     11.277509      2.518512
  C      -5.709297     10.312060      2.567968
  O      -4.681782     10.518752      1.934323
  C      -5.842523      9.075878      3.411085
  C      -6.995410      8.788850      4.158392
  C      -7.065681      7.630431      4.926445
  C      -5.975663      6.767741      4.946630
  F      -6.092458      5.653141      5.710176
  C      -4.798848      7.009132      4.213756
  C      -3.577747      6.137595      4.173707
  O      -2.669487      6.390798      3.392449
  C      -3.489672      4.948592      5.138225
  C      -4.772574      8.183744      3.450634
  C      -8.827207     -4.839497      4.082732
  C      -7.674307     -4.053912      4.662259
  O      -6.763100     -4.613750      5.262332
  C      -7.654352     -2.569694      4.476314
  C      -8.582374     -1.902075      3.659192
  C      -8.502273     -0.526466      3.479409
  C      -7.488758      0.176856      4.122573
  F      -7.442581      1.513191      3.922722
  C      -6.545452     -0.445409      4.963246
  C      -5.408138      0.231357      5.669832
  O      -4.781988     -0.377224      6.527892
  C      -5.007511      1.658881      5.272448
  C      -6.664491     -1.831418      5.118128
  H      -4.205274     -7.393065      4.090461
  H      -5.577947     -6.271201      3.855844
  H      -4.478956     -6.603861      2.501893
  H      -5.305112     -4.572691      1.903331
  H      -5.521473     -2.282898      0.934262
  H      -0.978541     -1.492317      5.147631
  H      -2.412411     -1.038850      6.084798
  H      -2.515899     -3.106805      4.794048
  H      -7.079432     11.671014      3.523786
  H      -7.782358     10.779675      2.165529
  H      -6.620007     12.106778      1.849917
  H      -7.846078      9.468243      4.147646
  H      -7.948266      7.382584      5.513698
  H      -3.674336      5.342935      6.159159
  H      -4.333056      4.285981      4.908038
  H      -3.877213      8.402520      2.868778
  H      -9.790240     -4.449386      4.440641
  H      -8.728449     -5.892136      4.362293
  H      -8.833240     -4.756559      2.985446
  H      -9.368371     -2.452138      3.144991
  H      -9.208839      0.012146      2.850375
  H      -5.829640      2.330436      5.589600
  H      -5.002553      1.714068      4.172309
  H      -5.946388     -2.346795      5.756626
  N      -0.508255      2.746129      3.759662
  N      -0.341333      3.695503      2.930231
  H      -1.001098      4.487435      2.907954
  H       0.445501      3.674976      2.280438
90
Coordinates from ORCA-job orca E -6562.080599923484
  N      -1.101766      0.563513      5.619235
  Mo     -1.939091      2.214811      4.871312
  N      -3.733427      2.058638      5.810708
  C      -3.748565      2.514691      7.195804
  C      -2.377623      2.262069      7.808519
  N      -1.278301      2.767751      6.917478
  C      -0.014482      2.025300      7.174390
  C      -0.212434      0.565461      6.757006
  C      -1.103833      4.255115      7.082240
  C      -1.133944      4.897575      5.697155
  N      -2.238303      4.246690      4.978281
  H       0.772372      0.125485      6.511333
  H      -0.623008     -0.033771      7.592005
  H       0.761680      2.502684      6.564494
  H       0.265340      2.106711      8.237856
  H      -1.274031      5.986948      5.775605
  H      -0.178886      4.729395      5.184933
  H      -1.946184      4.618646      7.684611
  H      -0.178484      4.464715      7.640253
  H      -4.488119      1.949787      7.787455
  H      -4.039156      3.578627      7.281363
  H      -2.241832      1.182422      7.913210
  H      -2.277775      2.725371      8.803624
  C      -4.522000     -6.489579      3.608408
  C      -3.702220     -5.325989      4.094456
  O      -2.922942     -5.436202      5.032870
  C      -3.883384     -3.983370      3.436152
  C      -4.745110     -3.763653      2.352574
  C      -4.885813     -2.489729      1.805158
  C      -4.161787     -1.435152      2.342944
  F      -4.351826     -0.220163      1.802476
  C      -3.276361     -1.606374      3.431852
  C      -2.561433     -0.502715      4.051847
  O      -2.654277      0.674683      3.604207
  C      -1.731389     -0.688532      5.298707
  C      -3.163110     -2.908091      3.952697
  C      -6.876746     11.274339      2.527298
  C      -5.720447     10.305429      2.567117
  O      -4.694266     10.513491      1.931712
  C      -5.848902      9.071446      3.414170
  C      -6.997271      8.786540      4.169238
  C      -7.062955      7.629735      4.940241
  C      -5.973088      6.766888      4.955801
  F      -6.085360      5.654150      5.722842
  C      -4.800672      7.006031      4.215054
  C      -3.580566      6.133685      4.168896
  O      -2.677843      6.384224      3.380305
  C      -3.486799      4.947396      5.135963
  C      -4.779031      8.179049      3.449301
  C      -8.806078     -4.831052      4.036859
  C      -7.661284     -4.044397      4.630926
  O      -6.754383     -4.603973      5.237710
  C      -7.643826     -2.559403      4.451600
  C      -8.567237     -1.890290      3.630402
  C      -8.489415     -0.513617      3.457948
  C      -7.482823      0.189225      4.112429
  F      -7.437956      1.526530      3.918950
  C      -6.544642     -0.434535      4.957779
  C      -5.413530      0.241408      5.674557
  O      -4.787447     -0.371635      6.529559
  C      -5.009679      1.668882      5.280245
  C      -6.661067     -1.821608      5.104648
  H      -4.184947     -7.406668      4.099987
  H      -5.570988     -6.298206      3.883326
  H      -4.479100     -6.609632      2.518792
  H      -5.332263     -4.582836      1.941631
  H      -5.562697     -2.293400      0.975525
  H      -0.987285     -1.497081      5.154410
  H      -2.415987     -1.038350      6.096381
  H      -2.517309     -3.112084      4.805181
  H      -7.080344     11.666951      3.534574
  H      -7.794702     10.779427      2.179755
  H      -6.630916     12.103943      1.858275
  H      -7.847849      9.466125      4.162104
  H      -7.942049      7.383572      5.533473
  H      -3.665529      5.344579      6.156833
  H      -4.332139      4.284728      4.913114
  H      -3.887243      8.396157      2.861294
  H      -9.773815     -4.444644      4.386042
  H      -8.707377     -5.884417      4.313793
  H      -8.800999     -4.744453      2.939816
  H      -9.347617     -2.440206      3.107469
  H      -9.192526      0.026102      2.825947
  H      -5.829480      2.342004      5.600182
  H      -5.006459      1.725628      4.180168
  H      -5.946466     -2.338392      5.745953
  N      -0.510202      2.735629      3.754130
  N      -0.336705      3.693040      2.934064
  H      -1.009165      4.473893      2.895812
  H       0.449210      3.672217      2.282913
90
Coordinates from ORCA-job orca E -6562.080593596771
  N      -1.094959      0.561285      5.618908
  Mo     -1.934740      2.208977      4.869204
  N      -3.729503      2.061889      5.807939
  C      -3.745394      2.519961      7.192354
  C      -2.376309      2.265113      7.806340
  N      -1.275335      2.767919      6.915268
  C      -0.011632      2.025665      7.175597
  C      -0.207844      0.565046      6.759056
  C      -1.100166      4.255355      7.076632
  C      -1.125678      4.893051      5.689486
  N      -2.230238      4.242609      4.972034
  H       0.777330      0.125087      6.515064
  H      -0.619757     -0.033596      7.593736
  H       0.765976      2.502519      6.566983
  H       0.265966      2.107776      8.239634
  H      -1.263392      5.983123      5.764211
  H      -0.170499      4.721090      5.178651
  H      -1.944938      4.621552      7.674198
  H      -0.176887      4.465665      7.637711
  H      -4.487228      1.958729      7.784352
  H      -4.032239      3.585392      7.275412
  H      -2.242926      1.185291      7.912349
  H      -2.277140      2.729505      8.801071
  C      -4.493918     -6.502999      3.612942
  C      -3.673971     -5.337943      4.095480
  O      -2.892454     -5.446170      5.032387
  C      -3.860432     -3.996113      3.437480
  C      -4.726082     -3.779072      2.356391
  C      -4.871935     -2.505683      1.809011
  C      -4.149866     -1.448738      2.344912
  F      -4.344604     -0.234782      1.803367
  C      -3.261546     -1.617116      3.432337
  C      -2.550255     -0.510961      4.051986
  O      -2.649741      0.667318      3.607457
  C      -1.716157     -0.694863      5.295924
  C      -3.142997     -2.918401      3.952862
  C      -6.898615     11.257827      2.533636
  C      -5.737493     10.294613      2.572344
  O      -4.714506     10.505594      1.932594
  C      -5.859597      9.059462      3.418768
  C      -7.004145      8.770980      4.178445
  C      -7.063232      7.613374      4.949006
  C      -5.971188      6.753527      4.959362
  F      -6.076863      5.639707      5.726022
  C      -4.802616      6.995660      4.213330
  C      -3.582193      6.124576      4.160289
  O      -2.685970      6.374475      3.363979
  C      -3.479519      4.942452      5.131353
  C      -4.787490      8.169369      3.448348
  C      -8.855969     -4.796804      4.036388
  C      -7.706787     -4.020271      4.635382
  O      -6.809009     -4.588014      5.248268
  C      -7.671102     -2.536267      4.449202
  C      -8.585393     -1.860117      3.623352
  C      -8.492590     -0.484941      3.446171
  C      -7.480195      0.209437      4.100713
  F      -7.421396      1.545801      3.904800
  C      -6.550215     -0.421078      4.949891
  C      -5.413454      0.246624      5.665109
  O      -4.796604     -0.367001      6.526567
  C      -5.006541      1.675140      5.276045
  C      -6.681353     -1.806569      5.101202
  H      -4.151327     -7.419912      4.101113
  H      -5.541307     -6.314437      3.896561
  H      -4.459057     -6.621266      2.522673
  H      -5.310854     -4.600329      1.945708
  H      -5.550945     -2.312104      0.980303
  H      -0.966314     -1.497394      5.146755
  H      -2.394755     -1.053062      6.095097
  H      -2.494420     -3.120078      4.804100
  H      -7.101162     11.652298      3.540530
  H      -7.815277     10.757198      2.190458
  H      -6.659045     12.086874      1.861515
  H      -7.856749      9.448263      4.175377
  H      -7.939376      7.364634      5.545798
  H      -3.654998      5.342390      6.151532
  H      -4.324896      4.276983      4.915931
  H      -3.898870      8.388916      2.856238
  H      -9.822061     -4.397916      4.376205
  H      -8.771030     -5.850013      4.318906
  H      -8.841559     -4.715591      2.938847
  H      -9.371007     -2.404024      3.101560
  H      -9.189153      0.060219      2.811362
  H      -5.825967      2.348704      5.596632
  H      -5.001504      1.734143      4.176211
  H      -5.973718     -2.328485      5.746079
  N      -0.502603      2.730350      3.750658
  N      -0.317209      3.714360      2.964088
  H      -1.009595      4.476549      2.909182
  H       0.472513      3.707022      2.317007
90
Coordinates from ORCA-job orca E -6562.080676561485
  N      -1.112602      0.559958      5.620272
  Mo     -1.947654      2.209916      4.871008
  N      -3.742176      2.074334      5.812048
  C      -3.752635      2.530857      7.197266
  C      -2.382945      2.269727      7.808234
  N      -1.281667      2.767654      6.915091
  C      -0.020534      2.020616      7.174038
  C      -0.224103      0.560463      6.759420
  C      -1.100420      4.254200      7.076391
  C      -1.123306      4.890889      5.688854
  N      -2.232430      4.246269      4.973204
  H       0.758374      0.114991      6.514673
  H      -0.638080     -0.034999      7.595336
  H       0.757923      2.493774      6.563676
  H       0.259085      2.102490      8.237557
  H      -1.254518      5.981914      5.762587
  H      -0.170164      4.712765      5.176587
  H      -1.944644      4.624280      7.672318
  H      -0.177204      4.460935      7.638845
  H      -4.494947      1.972114      7.790960
  H      -4.035248      3.597196      7.282189
  H      -2.254095      1.189337      7.913719
  H      -2.280024      2.733729      8.802801
  C      -4.523795     -6.497173      3.591740
  C      -3.706964     -5.333877      4.084379
  O      -2.933719     -5.445367      5.027685
  C      -3.890416     -3.989270      3.431566
  C      -4.754031     -3.767273      2.349964
  C      -4.897256     -2.491810      1.806824
  C      -4.173747     -1.438001      2.346946
  F      -4.365895     -0.222128      1.808873
  C      -3.286674     -1.611489      3.434478
  C      -2.572674     -0.508438      4.056042
  O      -2.670670      0.671203      3.614660
  C      -1.734444     -0.695771      5.296794
  C      -3.171474     -2.914571      3.951328
  C      -6.879929     11.271399      2.523766
  C      -5.720833     10.305994      2.566458
  O      -4.696003     10.514169      1.928802
  C      -5.846896      9.072848      3.415203
  C      -6.992793      8.788742      4.174376
  C      -7.055153      7.632727      4.947160
  C      -5.965294      6.770282      4.960084
  F      -6.074323      5.658408      5.729202
  C      -4.795446      7.007800      4.214245
  C      -3.577585      6.132928      4.162384
  O      -2.680392      6.380045      3.366315
  C      -3.478417      4.952056      5.134758
  C      -4.777178      8.180133      3.447387
  C      -8.781934     -4.837577      4.038597
  C      -7.648040     -4.043167      4.643449
  O      -6.746507     -4.596353      5.263923
  C      -7.634097     -2.558774      4.457340
  C      -8.555507     -1.895712      3.628749
  C      -8.482027     -0.519339      3.451995
  C      -7.481436      0.189466      4.109393
  F      -7.441117      1.526462      3.913626
  C      -6.544727     -0.428043      4.961117
  C      -5.418157      0.253654      5.678986
  O      -4.787242     -0.357956      6.531669
  C      -5.020217      1.683647      5.286100
  C      -6.657146     -1.815114      5.112046
  H      -4.191178     -7.414388      4.086060
  H      -5.575120     -6.306310      3.858052
  H      -4.471869     -6.616765      2.502340
  H      -5.339840     -4.585987      1.935884
  H      -5.575240     -2.294442      0.978262
  H      -0.984915     -1.497857      5.142853
  H      -2.409128     -1.056737      6.097716
  H      -2.524082     -3.119870      4.802502
  H      -7.084346     11.667596      3.529543
  H      -7.796547     10.771894      2.178962
  H      -6.637213     12.099080      1.851155
  H      -7.843709      9.468034      4.169258
  H      -7.932335      7.387493      5.543783
  H      -3.649518      5.353711      6.154965
  H      -4.327316      4.290331      4.922564
  H      -3.887661      8.396196      2.855384
  H      -9.755939     -4.452950      4.372073
  H      -8.682746     -5.888996      4.322936
  H      -8.762134     -4.757538      2.941096
  H      -9.331313     -2.451097      3.104511
  H      -9.184503      0.015784      2.815262
  H      -5.840772      2.353918      5.610139
  H      -5.020186      1.741381      4.186181
  H      -5.943713     -2.327034      5.758562
  N      -0.514491      2.724770      3.745579
  N      -0.331982      3.709347      2.960865
  H      -1.016730      4.478862      2.918146
  H       0.450926      3.698734      2.305601
90
Coordinates from ORCA-job orca E -6562.080718752894
  N      -1.117959      0.562025      5.621784
  Mo     -1.956688      2.214493      4.881305
  N      -3.751026      2.078186      5.824280
  C      -3.755007      2.521410      7.214066
  C      -2.381784      2.259312      7.818269
  N      -1.284025      2.762929      6.924024
  C      -0.021094      2.016332      7.176277
  C      -0.226445      0.558155      6.758394
  C      -1.103574      4.248819      7.093546
  C      -1.126177      4.891849      5.709002
  N      -2.237208      4.253262      4.989869
  H       0.754507      0.111028      6.510699
  H      -0.639409     -0.038294      7.594190
  H       0.754162      2.492403      6.564158
  H       0.262537      2.095347      8.238889
  H      -1.254069      5.983018      5.786961
  H      -0.174617      4.712594      5.194447
  H      -1.949300      4.615776      7.689206
  H      -0.181825      4.452865      7.659277
  H      -4.491875      1.954421      7.806801
  H      -4.041943      3.585461      7.310261
  H      -2.250991      1.178662      7.918846
  H      -2.276348      2.719439      8.814345
  C      -4.529962     -6.487565      3.551089
  C      -3.718847     -5.326259      4.058610
  O      -2.938856     -5.447273      4.994978
  C      -3.901845     -3.977209      3.415380
  C      -4.764272     -3.748694      2.334240
  C      -4.907917     -2.469720      1.799488
  C      -4.185262     -1.419235      2.347092
  F      -4.378329     -0.199757      1.817512
  C      -3.298195     -1.599599      3.433361
  C      -2.582838     -0.500934      4.060012
  O      -2.683964      0.682427      3.628215
  C      -1.737529     -0.693946      5.295383
  C      -3.182676     -2.905982      3.941861
  C      -6.862179     11.273244      2.486312
  C      -5.704283     10.307110      2.541023
  O      -4.669587     10.518804      1.920802
  C      -5.836107      9.079449      3.396794
  C      -6.988568      8.798054      4.146737
  C      -7.056173      7.646601      4.925922
  C      -5.965159      6.786106      4.954212
  F      -6.079678      5.679223      5.729860
  C      -4.788493      7.021065      4.217941
  C      -3.568735      6.147610      4.180714
  O      -2.663288      6.395578      3.394227
  C      -3.481053      4.963443      5.148934
  C      -4.765124      8.189041      3.444808
  C      -8.748001     -4.860748      4.045616
  C      -7.621777     -4.058703      4.654833
  O      -6.713363     -4.606776      5.269501
  C      -7.621548     -2.573296      4.476052
  C      -8.553415     -1.913459      3.656604
  C      -8.491825     -0.535813      3.485769
  C      -7.492058      0.177484      4.139649
  F      -7.462252      1.515501      3.949502
  C      -6.544536     -0.437039      4.981620
  C      -5.416827      0.248985      5.693003
  O      -4.775273     -0.362390      6.538034
  C      -5.029815      1.683337      5.304492
  C      -6.646037     -1.825433      5.127566
  H      -4.212662     -7.404574      4.055593
  H      -5.587405     -6.294205      3.787744
  H      -4.447832     -6.609941      2.463654
  H      -5.349041     -4.564958      1.914069
  H      -5.585814     -2.267447      0.972157
  H      -0.986583     -1.493316      5.134170
  H      -2.406808     -1.061717      6.097593
  H      -2.535547     -3.115569      4.792045
  H      -7.080463     11.666674      3.490177
  H      -7.773786     10.774403      2.127703
  H      -6.610721     12.102720      1.819235
  H      -7.840630      9.475577      4.129478
  H      -7.938403      7.403761      5.515895
  H      -3.654876      5.362292      6.169818
  H      -4.331318      4.305824      4.930914
  H      -3.870441      8.402975      2.859961
  H      -9.725569     -4.490218      4.384388
  H      -8.636153     -5.913193      4.321137
  H      -8.731521     -4.771397      2.948836
  H      -9.327978     -2.472869      3.134989
  H      -9.202319     -0.002957      2.856205
  H      -5.851505      2.347425      5.637785
  H      -5.037385      1.746652      4.204876
  H      -5.923813     -2.334480      5.766469
  N      -0.525919      2.729102      3.746695
  N      -0.360955      3.695926      2.937894
  H      -1.049810      4.461608      2.887238
  H       0.413291      3.674508      2.272347
90
Coordinates from ORCA-job orca E -6562.080784849481
  N      -1.127955      0.559379      5.625834
  Mo     -1.960280      2.212588      4.879576
  N      -3.755503      2.087444      5.819653
  C      -3.761025      2.538065      7.206926
  C      -2.391051      2.269987      7.815792
  N      -1.288818      2.764552      6.922223
  C      -0.029761      2.013459      7.179830
  C      -0.239142      0.554917      6.764541
  C      -1.102272      4.250243      7.086965
  C      -1.120832      4.888956      5.700517
  N      -2.234657      4.252725      4.984309
  H       0.740854      0.104262      6.519452
  H      -0.655898     -0.038804      7.600414
  H       0.749297      2.484942      6.569018
  H       0.250879      2.093961      8.243132
  H      -1.244253      5.980826      5.775269
  H      -0.169902      4.704196      5.186672
  H      -1.947823      4.622664      7.679496
  H      -0.180889      4.452523      7.653976
  H      -4.502812      1.978520      7.800557
  H      -4.041532      3.604475      7.296971
  H      -2.266825      1.189004      7.920205
  H      -2.285639      2.733140      8.810508
  C      -4.536481     -6.487902      3.537411
  C      -3.726280     -5.327598      4.048869
  O      -2.945779     -5.451224      4.984391
  C      -3.908160     -3.977343      3.407949
  C      -4.770206     -3.746515      2.326963
  C      -4.912888     -2.466570      1.794205
  C      -4.189546     -1.417452      2.343574
  F      -4.381329     -0.197133      1.815615
  C      -3.302964     -1.600165      3.429799
  C      -2.587538     -0.502861      4.058482
  O      -2.687924      0.681164      3.628309
  C      -1.743185     -0.697325      5.293918
  C      -3.188637     -2.907377      3.936493
  C      -6.868124     11.269841      2.485697
  C      -5.708839     10.305311      2.540611
  O      -4.678853     10.512605      1.911157
  C      -5.837140      9.079933      3.400097
  C      -6.985773      8.801362      4.157021
  C      -7.049538      7.652148      4.939843
  C      -5.958963      6.790968      4.964444
  F      -6.069729      5.686848      5.744663
  C      -4.786378      7.022757      4.220852
  C      -3.567344      6.148237      4.178562
  O      -2.665026      6.395608      3.388453
  C      -3.476514      4.965286      5.147885
  C      -4.766689      8.188785      3.444730
  C      -8.735161     -4.868825      4.058937
  C      -7.612991     -4.062085      4.669417
  O      -6.708617     -4.605280      5.294178
  C      -7.614427     -2.577567      4.483332
  C      -8.544715     -1.922860      3.657894
  C      -8.484546     -0.545961      3.481055
  C      -7.487900      0.171876      4.134729
  F      -7.459273      1.508993      3.938274
  C      -6.541849     -0.437325      4.982157
  C      -5.416179      0.253311      5.692290
  O      -4.777422     -0.352069      6.543681
  C      -5.033008      1.687889      5.300527
  C      -6.641990     -1.825158      5.134106
  H      -4.219851     -7.405859      4.040592
  H      -5.594711     -6.296133      3.771301
  H      -4.451498     -6.607677      2.449879
  H      -5.355279     -4.561700      1.905186
  H      -5.590367     -2.262594      0.966964
  H      -0.989684     -1.493771      5.129334
  H      -2.410834     -1.070624      6.094714
  H      -2.542084     -3.118743      4.786672
  H      -7.081775     11.669432      3.488083
  H      -7.781030     10.767832      2.134870
  H      -6.620809     12.095245      1.812060
  H      -7.837443      9.479412      4.142492
  H      -7.928574      7.411806      5.535554
  H      -3.644700      5.365824      6.169317
  H      -4.328901      4.308553      4.935472
  H      -3.875040      8.400523      2.854453
  H      -9.714997     -4.496861      4.389464
  H      -8.624227     -5.919377      4.341948
  H      -8.712329     -4.786484      2.961723
  H      -9.316628     -2.485900      3.136298
  H      -9.193929     -0.017272      2.846755
  H      -5.856779      2.350488      5.631415
  H      -5.039879      1.748255      4.200711
  H      -5.920946     -2.330507      5.777290
  N      -0.522112      2.720252      3.748735
  N      -0.337305      3.690989      2.950002
  H      -1.003536      4.477071      2.912525
  H       0.441218      3.664795      2.289499
90
Coordinates from ORCA-job orca E -6562.080807408307
  N      -1.138209      0.557418      5.628225
  Mo     -1.970007      2.211169      4.883040
  N      -3.764024      2.093520      5.823715
  C      -3.767932      2.546692      7.209998
  C      -2.399362      2.273130      7.819437
  N      -1.295524      2.762736      6.924957
  C      -0.037973      2.009080      7.182818
  C      -0.249155      0.551229      6.766681
  C      -1.104952      4.248155      7.088365
  C      -1.120283      4.885411      5.701358
  N      -2.236646      4.252861      4.985704
  H       0.730111      0.099526      6.520643
  H      -0.666460     -0.042838      7.602096
  H       0.742228      2.479364      6.572463
  H       0.242375      2.088846      8.246250
  H      -1.239322      5.977804      5.774917
  H      -0.169767      4.696331      5.188199
  H      -1.950572      4.623619      7.678950
  H      -0.183982      4.448380      7.656799
  H      -4.512046      1.990971      7.804303
  H      -4.043970      3.614558      7.298417
  H      -2.279966      1.191668      7.924760
  H      -2.292066      2.736896      8.813702
  C      -4.529107     -6.490334      3.512552
  C      -3.713885     -5.332476      4.021991
  O      -2.941969     -5.455258      4.964664
  C      -3.903800     -3.979031      3.390277
  C      -4.767598     -3.746019      2.311030
  C      -4.915571     -2.463912      1.784847
  C      -4.196453     -1.414668      2.339500
  F      -4.391876     -0.192617      1.816756
  C      -3.308964     -1.599423      3.424794
  C      -2.595614     -0.503254      4.057545
  O      -2.699096      0.682793      3.633022
  C      -1.747688     -0.700586      5.289692
  C      -3.189320     -2.908738      3.924857
  C      -6.861281     11.271331      2.470251
  C      -5.700601     10.308783      2.532222
  O      -4.675567     10.506612      1.891676
  C      -5.828938      9.087272      3.397175
  C      -6.975395      8.814866      4.159813
  C      -7.038646      7.669468      4.948270
  C      -5.950204      6.805579      4.972284
  F      -6.060338      5.705561      5.758457
  C      -4.780300      7.030703      4.222715
  C      -3.564066      6.152313      4.178991
  O      -2.660844      6.398081      3.389389
  C      -3.475688      4.970051      5.149342
  C      -4.760705      8.193335      3.441383
  C      -8.722290     -4.880065      4.073679
  C      -7.606066     -4.068450      4.688618
  O      -6.704317     -4.607322      5.320865
  C      -7.610128     -2.584517      4.497077
  C      -8.540469     -1.934388      3.667997
  C      -8.483650     -0.557731      3.487923
  C      -7.490041      0.164466      4.141374
  F      -7.465662      1.501383      3.942851
  C      -6.543791     -0.439928      4.991812
  C      -5.421611      0.255791      5.702381
  O      -4.779665     -0.346997      6.553237
  C      -5.041547      1.690355      5.307199
  C      -6.640466     -1.827694      5.147240
  H      -4.220385     -7.407512      4.022115
  H      -5.588116     -6.292686      3.737531
  H      -4.436824     -6.615692      2.426091
  H      -5.348540     -4.561691      1.884272
  H      -5.593452     -2.258654      0.958158
  H      -0.990360     -1.491942      5.117795
  H      -2.410633     -1.082735      6.090371
  H      -2.540681     -3.121924      4.773167
  H      -7.072838     11.681221      3.468939
  H      -7.774588     10.764546      2.127090
  H      -6.616688     12.089858      1.787211
  H      -7.825531      9.494960      4.145577
  H      -7.915837      7.434278      5.548873
  H      -3.641148      5.372482      6.170561
  H      -4.330586      4.315485      4.939431
  H      -3.870749      8.400142      2.846702
  H      -9.705281     -4.509924      4.396982
  H      -8.610247     -5.929504      4.360619
  H      -8.692882     -4.800815      2.976317
  H      -9.310310     -2.500883      3.146898
  H      -9.193739     -0.032503      2.851406
  H      -5.866051      2.351767      5.638700
  H      -5.050548      1.749259      4.207326
  H      -5.919551     -2.329420      5.793433
  N      -0.528835      2.715027      3.750405
  N      -0.346877      3.692154      2.958510
  H      -1.020484      4.472324      2.918659
  H       0.434713      3.675848      2.301028
90
Coordinates from ORCA-job orca E -6562.080846484189
  N      -1.153067      0.555741      5.630516
  Mo     -1.982043      2.212163      4.888864
  N      -3.774646      2.103081      5.830195
  C      -3.775943      2.554154      7.217092
  C      -2.408346      2.272872      7.825505
  N      -1.303433      2.759121      6.930590
  C      -0.048214      2.001420      7.186986
  C      -0.263912      0.545027      6.768706
  C      -1.107883      4.243835      7.095646
  C      -1.119106      4.882350      5.709262
  N      -2.238389      4.255725      4.992402
  H       0.713752      0.090610      6.521293
  H      -0.682937     -0.049305      7.603123
  H       0.733322      2.470263      6.577229
  H       0.232356      2.078866      8.250517
  H      -1.232743      5.975228      5.783633
  H      -0.169089      4.689136      5.196829
  H      -1.953426      4.621780      7.684732
  H      -0.187397      4.440213      7.666206
  H      -4.522022      2.000376      7.810752
  H      -4.047356      3.622918      7.307664
  H      -2.293911      1.190620      7.928712
  H      -2.298306      2.734570      8.820468
  C      -4.543718     -6.481726      3.470380
  C      -3.733704     -5.326137      3.993520
  O      -2.958143     -5.456966      4.931993
  C      -3.920354     -3.969319      3.368379
  C      -4.781126     -3.730256      2.288065
  C      -4.926987     -2.445281      1.768210
  C      -4.208381     -1.399555      2.329951
  F      -4.401339     -0.174689      1.812915
  C      -3.323455     -1.590582      3.416236
  C      -2.609780     -0.498507      4.055034
  O      -2.714085      0.690329      3.638043
  C      -1.758622     -0.702055      5.283809
  C      -3.205888     -2.902517      3.909858
  C      -6.846902     11.273760      2.442757
  C      -5.687259     10.310357      2.511516
  O      -4.660642     10.504505      1.872398
  C      -5.817338      9.094626      3.384215
  C      -6.964747      8.827896      4.147452
  C      -7.029408      7.687615      4.943183
  C      -5.941642      6.823044      4.973643
  F      -6.053407      5.728239      5.766807
  C      -4.770870      7.042508      4.223822
  C      -3.555433      6.162699      4.185838
  O      -2.649144      6.406188      3.399000
  C      -3.473696      4.979416      5.155251
  C      -4.749785      8.200278      3.435298
  C      -8.679120     -4.909638      4.097442
  C      -7.573410     -4.086758      4.716569
  O      -6.669341     -4.616490      5.353132
  C      -7.589785     -2.603289      4.521275
  C      -8.526374     -1.962413      3.691998
  C      -8.481176     -0.585650      3.509332
  C      -7.492312      0.145943      4.159542
  F      -7.479632      1.482723      3.959026
  C      -6.539483     -0.449151      5.009195
  C      -5.420645      0.256188      5.715385
  O      -4.774635     -0.339009      6.568517
  C      -5.051260      1.692762      5.317198
  C      -6.625305     -1.837236      5.168293
  H      -4.241571     -7.400731      3.980570
  H      -5.606032     -6.285937      3.679966
  H      -4.435244     -6.602978      2.384781
  H      -5.361618     -4.543314      1.855692
  H      -5.602853     -2.235286      0.941075
  H      -0.998654     -1.489086      5.103424
  H      -2.417025     -1.093230      6.083787
  H      -2.559633     -3.120264      4.758841
  H      -7.060585     11.688429      3.439000
  H      -7.759741     10.766031      2.099714
  H      -6.600077     12.088880      1.756460
  H      -7.814465      9.508378      4.127946
  H      -7.907292      7.457061      5.544564
  H      -3.637442      5.382503      6.176529
  H      -4.331773      4.328931      4.945272
  H      -3.859067      8.402650      2.840231
  H      -9.667101     -4.549101      4.416335
  H      -8.558098     -5.957752      4.385586
  H      -8.645873     -4.830591      3.000158
  H      -9.292286     -2.536304      3.173222
  H      -9.196746     -0.067515      2.873137
  H      -5.878546      2.349565      5.650806
  H      -5.063745      1.750797      4.217370
  H      -5.899372     -2.331858      5.814334
  N      -0.536921      2.712508      3.754677
  N      -0.360359      3.696158      2.970403
  H      -1.035679      4.475349      2.937894
  H       0.421103      3.689419      2.312546
90
Coordinates from ORCA-job orca E -6562.080910493900
  N      -1.182201      0.550602      5.642686
  Mo     -2.007608      2.211203      4.905828
  N      -3.794887      2.122982      5.852686
  C      -3.785901      2.569746      7.241106
  C      -2.418374      2.273830      7.843614
  N      -1.314528      2.752599      6.943368
  C      -0.063108      1.987872      7.194883
  C      -0.289522      0.533502      6.777345
  C      -1.108913      4.236244      7.108102
  C      -1.117039      4.874762      5.722024
  N      -2.244039      4.258214      5.007310
  H       0.684105      0.072562      6.525838
  H      -0.709747     -0.058777      7.612815
  H       0.719001      2.452136      6.582386
  H       0.221279      2.063912      8.257469
  H      -1.220422      5.968556      5.796699
  H      -0.169835      4.673003      5.207976
  H      -1.952188      4.619816      7.696731
  H      -0.187445      4.426231      7.679217
  H      -4.534397      2.020873      7.836139
  H      -4.047009      3.640392      7.336031
  H      -2.313472      1.190224      7.943671
  H      -2.299276      2.732895      8.838819
  C      -4.525063     -6.483098      3.377165
  C      -3.731725     -5.328137      3.928167
  O      -2.943579     -5.472195      4.853727
  C      -3.932708     -3.961718      3.329110
  C      -4.798452     -3.711680      2.255327
  C      -4.955140     -2.419470      1.756646
  C      -4.241084     -1.378078      2.331815
  F      -4.443497     -0.146425      1.834856
  C      -3.351014     -1.580032      3.411912
  C      -2.637662     -0.494464      4.060915
  O      -2.747854      0.700184      3.660038
  C      -1.775334     -0.708364      5.279655
  C      -3.223915     -2.898674      3.885443
  C      -6.829823     11.262529      2.375995
  C      -5.673579     10.295832      2.456360
  O      -4.645248     10.480360      1.817210
  C      -5.803147      9.097763      3.352995
  C      -6.949511      8.846770      4.123176
  C      -7.013637      7.721953      4.940566
  C      -5.926881      6.856579      4.985170
  F      -6.038842      5.777777      5.799886
  C      -4.757076      7.060678      4.229624
  C      -3.542518      6.178800      4.203249
  O      -2.627659      6.422017      3.426292
  C      -3.471639      4.994420      5.171532
  C      -4.736241      8.203829      3.419927
  C      -8.618969     -4.936436      4.112738
  C      -7.528665     -4.099825      4.741208
  O      -6.619704     -4.618598      5.379390
  C      -7.568492     -2.615648      4.554839
  C      -8.521186     -1.982133      3.738339
  C      -8.497019     -0.603516      3.565685
  C      -7.512361      0.137128      4.212058
  F      -7.519648      1.475410      4.021609
  C      -6.543336     -0.450944      5.047892
  C      -5.426012      0.263363      5.746721
  O      -4.769600     -0.326560      6.595606
  C      -5.073178      1.704471      5.350505
  C      -6.609097     -1.840844      5.198519
  H      -4.234793     -7.403449      3.891644
  H      -5.595289     -6.296899      3.546482
  H      -4.375121     -6.597552      2.295321
  H      -5.373702     -4.522095      1.811115
  H      -5.635219     -2.201168      0.935200
  H      -1.007242     -1.482637      5.078187
  H      -2.419616     -1.122175      6.079357
  H      -2.572974     -3.124856      4.728584
  H      -7.044378     11.688931      3.367003
  H      -7.743356     10.753518      2.036746
  H      -6.579425     12.068971      1.680846
  H      -7.798753      9.527345      4.091901
  H      -7.890465      7.504294      5.548175
  H      -3.628980      5.399931      6.192982
  H      -4.336134      4.351360      4.964689
  H      -3.846196      8.393973      2.819899
  H      -9.613743     -4.597272      4.433913
  H      -8.479707     -5.984882      4.391218
  H      -8.586238     -4.845672      3.016349
  H      -9.283369     -2.563176      3.222167
  H      -9.225715     -0.090929      2.940038
  H      -5.901867      2.352739      5.696747
  H      -5.098070      1.768641      4.251396
  H      -5.870435     -2.330054      5.834079
  N      -0.555049      2.696990      3.764675
  N      -0.377491      3.675354      2.976341
  H      -1.041948      4.464280      2.948829
  H       0.403129      3.665412      2.317221
90
Coordinates from ORCA-job orca E -6562.080943950332
  N      -1.210435      0.548864      5.646640
  Mo     -2.029098      2.216260      4.918231
  N      -3.812773      2.138584      5.868454
  C      -3.798854      2.583848      7.257392
  C      -2.432954      2.275385      7.857359
  N      -1.326816      2.746632      6.955447
  C      -0.080709      1.972124      7.203018
  C      -0.317661      0.521253      6.780585
  C      -1.108850      4.228430      7.122695
  C      -1.113356      4.870037      5.738193
  N      -2.246668      4.264426      5.023745
  H       0.652518      0.054164      6.526847
  H      -0.741896     -0.071313      7.613932
  H       0.704243      2.432808      6.591423
  H       0.205206      2.042584      8.265598
  H      -1.207542      5.964420      5.815381
  H      -0.168280      4.661598      5.222813
  H      -1.948036      4.617418      7.713608
  H      -0.184975      4.409432      7.692882
  H      -4.551184      2.040244      7.852285
  H      -4.050854      3.656525      7.353695
  H      -2.337288      1.190626      7.954355
  H      -2.307421      2.731130      8.853313
  C      -4.555305     -6.461359      3.304996
  C      -3.765887     -5.312471      3.874481
  O      -2.980641     -5.467264      4.800598
  C      -3.968093     -3.939103      3.292363
  C      -4.834454     -3.677517      2.221888
  C      -4.991759     -2.379823      1.737753
  C      -4.277127     -1.345014      2.323652
  F      -4.479586     -0.107770      1.840653
  C      -3.385496     -1.558834      3.400305
  C      -2.668214     -0.481368      4.057573
  O      -2.777907      0.717770      3.669027
  C      -1.800724     -0.707528      5.270035
  C      -3.258895     -2.882392      3.860084
  C      -6.810218     11.256145      2.319321
  C      -5.655305     10.289042      2.413531
  O      -4.629591     10.459078      1.766180
  C      -5.784882      9.106120      3.329999
  C      -6.930060      8.869451      4.106521
  C      -6.994439      7.758148      4.942076
  C      -5.909321      6.891197      4.997896
  F      -6.021490      5.826042      5.830138
  C      -4.740614      7.081551      4.237220
  C      -3.527616      6.197464      4.221974
  O      -2.610036      6.432048      3.445405
  C      -3.467351      5.011712      5.189267
  C      -4.719211      8.211736      3.409372
  C      -8.532830     -4.988423      4.144339
  C      -7.462389     -4.132864      4.781640
  O      -6.550334     -4.635680      5.428102
  C      -7.523298     -2.649989      4.588746
  C      -8.483738     -2.032972      3.768719
  C      -8.479607     -0.654530      3.591869
  C      -7.506631      0.102488      4.236998
  F      -7.531875      1.439941      4.041688
  C      -6.530492     -0.468887      5.075735
  C      -5.423953      0.263199      5.772990
  O      -4.762707     -0.313622      6.627175
  C      -5.089496      1.707394      5.372233
  C      -6.576164     -1.859098      5.231221
  H      -4.285059     -7.383581      3.826983
  H      -5.629066     -6.269387      3.440689
  H      -4.373257     -6.577016      2.227917
  H      -5.409532     -4.483302      1.768977
  H      -5.672509     -2.152398      0.919304
  H      -1.030645     -1.476222      5.054513
  H      -2.438534     -1.133867      6.068178
  H      -2.607144     -3.117732      4.700144
  H      -7.023434     11.698388      3.303627
  H      -7.724713     10.743034      1.988774
  H      -6.559406     12.051064      1.611159
  H      -7.778312      9.550813      4.065938
  H      -7.870170      7.552046      5.555297
  H      -3.619425      5.418850      6.210856
  H      -4.337784      4.376077      4.983860
  H      -3.829872      8.390824      2.804936
  H      -9.535841     -4.668458      4.459705
  H      -8.376309     -6.034602      4.422257
  H      -8.494887     -4.894743      3.048344
  H      -9.236796     -2.626556      3.253357
  H      -9.214902     -0.154556      2.963711
  H      -5.922691      2.348024      5.721885
  H      -5.120524      1.770058      4.273217
  H      -5.831555     -2.335371      5.869588
  N      -0.572326      2.692679      3.773171
  N      -0.396352      3.672491      2.986548
  H      -1.058397      4.464242      2.965427
  H       0.383093      3.665038      2.325696
90
Coordinates from ORCA-job orca E -6562.080991324764
  N      -1.242956      0.548657      5.651062
  Mo     -2.056430      2.222301      4.932635
  N      -3.837038      2.151083      5.884998
  C      -3.820657      2.597602      7.273799
  C      -2.457878      2.276182      7.873496
  N      -1.348295      2.740407      6.971541
  C      -0.107732      1.956381      7.216524
  C      -0.353402      0.509566      6.786720
  C      -1.118255      4.220184      7.141746
  C      -1.117865      4.865168      5.759014
  N      -2.255294      4.269452      5.042779
  H       0.614420      0.037414      6.532967
  H      -0.783668     -0.084763      7.615853
  H       0.681147      2.414453      6.607951
  H       0.177751      2.019857      8.279704
  H      -1.204522      5.959924      5.838724
  H      -0.173623      4.651462      5.243999
  H      -1.952886      4.614048      7.735866
  H      -0.191690      4.391953      7.710524
  H      -4.579315      2.062267      7.867821
  H      -4.061245      3.673064      7.368294
  H      -2.371961      1.190186      7.966274
  H      -2.326314      2.727459      8.870708
  C      -4.574552     -6.437511      3.210983
  C      -3.789303     -5.296348      3.801873
  O      -3.006472     -5.464232      4.727569
  C      -3.988774     -3.916033      3.235892
  C      -4.852120     -3.642271      2.166098
  C      -5.010644     -2.338577      1.698794
  C      -4.300138     -1.310496      2.300770
  F      -4.504290     -0.066796      1.834957
  C      -3.409803     -1.536833      3.376247
  C      -2.694765     -0.467146      4.047576
  O      -2.807867      0.737021      3.674819
  C      -1.824088     -0.706228      5.254705
  C      -3.282049     -2.866046      3.819153
  C      -6.770117     11.260444      2.257442
  C      -5.623576     10.284362      2.361220
  O      -4.603127     10.430055      1.699686
  C      -5.756831      9.119961      3.300612
  C      -6.899482      8.906251      4.087538
  C      -6.968223      7.810912      4.943425
  C      -5.889906      6.935868      5.008665
  F      -6.005719      5.886836      5.860219
  C      -4.723919      7.103929      4.238837
  C      -3.518538      6.210153      4.232597
  O      -2.592370      6.437768      3.463861
  C      -3.470122      5.027255      5.204618
  C      -4.697419      8.219164      3.390854
  C      -8.451211     -5.050372      4.204727
  C      -7.394063     -4.173935      4.836130
  O      -6.471625     -4.658343      5.481881
  C      -7.482443     -2.692653      4.638854
  C      -8.459214     -2.094160      3.824534
  C      -8.479867     -0.716090      3.643964
  C      -7.514672      0.059123      4.279190
  F      -7.563076      1.395567      4.080692
  C      -6.523792     -0.493451      5.112676
  C      -5.427194      0.258984      5.803997
  O      -4.752218     -0.305956      6.655449
  C      -5.111725      1.704959      5.394477
  C      -6.544570     -1.883793      5.272769
  H      -4.333803     -7.361042      3.744982
  H      -5.650801     -6.234122      3.301080
  H      -4.350957     -6.559191      2.142030
  H      -5.424281     -4.443402      1.701198
  H      -5.689769     -2.101270      0.881721
  H      -1.047888     -1.464380      5.023565
  H      -2.454701     -1.150799      6.048404
  H      -2.632776     -3.111338      4.658392
  H      -6.973487     11.721329      3.235261
  H      -7.691250     10.750269      1.940806
  H      -6.516319     12.040680      1.534137
  H      -7.742719      9.593405      4.039072
  H      -7.841886      7.622929      5.565430
  H      -3.618997      5.439803      6.224393
  H      -4.345591      4.397696      5.001073
  H      -3.809783      8.380500      2.779000
  H      -9.458106     -4.753351      4.530454
  H      -8.270130     -6.093866      4.477972
  H      -8.425527     -4.951681      3.108794
  H      -9.206314     -2.701336      3.316231
  H      -9.228417     -0.230227      3.020329
  H      -5.949482      2.337836      5.747284
  H      -5.149728      1.764931      4.295634
  H      -5.788036     -2.345469      5.907744
  N      -0.595799      2.691357      3.783950
  N      -0.422897      3.676462      3.003169
  H      -1.087356      4.467205      2.990210
  H       0.356626      3.676753      2.342046
90
Coordinates from ORCA-job orca E -6562.081053735415
  N      -1.249247      0.549496      5.656881
  Mo     -2.060264      2.229374      4.951139
  N      -3.840086      2.154534      5.904774
  C      -3.823036      2.596996      7.295337
  C      -2.462392      2.266005      7.893799
  N      -1.351202      2.731913      6.994494
  C      -0.113630      1.941901      7.235157
  C      -0.363618      0.499009      6.794999
  C      -1.115158      4.209821      7.172483
  C      -1.113651      4.862505      5.793391
  N      -2.251057      4.272627      5.073200
  H       0.603495      0.025147      6.541443
  H      -0.798829     -0.099585      7.618568
  H       0.677616      2.401076      6.630446
  H       0.171300      1.996838      8.298995
  H      -1.199251      5.956909      5.878999
  H      -0.169283      4.650486      5.277703
  H      -1.945643      4.603172      7.772691
  H      -0.185629      4.374504      7.738568
  H      -4.586965      2.066766      7.886812
  H      -4.054565      3.674269      7.390997
  H      -2.381331      1.178829      7.977822
  H      -2.327045      2.709082      8.894150
  C      -4.576127     -6.411683      3.124869
  C      -3.781840     -5.281075      3.724882
  O      -2.994910     -5.463612      4.644188
  C      -3.982542     -3.892778      3.179262
  C      -4.852638     -3.604515      2.118824
  C      -5.016346     -2.294249      1.672426
  C      -4.305006     -1.274225      2.286593
  F      -4.516896     -0.023398      1.843450
  C      -3.407075     -1.514825      3.352968
  C      -2.693985     -0.452268      4.037697
  O      -2.810348      0.755871      3.678734
  C      -1.822901     -0.703417      5.242008
  C      -3.273520     -2.850559      3.774417
  C      -6.771681     11.216394      2.183375
  C      -5.626302     10.240347      2.299037
  O      -4.610058     10.370674      1.627827
  C      -5.754479      9.095986      3.263502
  C      -6.895427      8.895329      4.056309
  C      -6.960681      7.817389      4.934137
  C      -5.880194      6.946125      5.015510
  F      -5.992411      5.913375      5.886766
  C      -4.715339      7.102517      4.241591
  C      -3.508328      6.212078      4.252420
  O      -2.581144      6.428877      3.481438
  C      -3.464679      5.033845      5.231299
  C      -4.692293      8.200343      3.370958
  C      -8.448482     -5.058803      4.254701
  C      -7.383168     -4.178483      4.866796
  O      -6.449440     -4.658518      5.499306
  C      -7.480815     -2.697296      4.672321
  C      -8.470027     -2.100652      3.871935
  C      -8.497413     -0.722171      3.693788
  C      -7.526654      0.055134      4.318035
  F      -7.580250      1.391754      4.121995
  C      -6.525052     -0.495725      5.139329
  C      -5.426048      0.259166      5.824249
  O      -4.744914     -0.305505      6.671053
  C      -5.115650      1.706502      5.416313
  C      -6.538682     -1.886281      5.296803
  H      -4.362939     -7.336633      3.667957
  H      -5.650777     -6.190494      3.184495
  H      -4.328643     -6.542807      2.062041
  H      -5.425725     -4.399820      1.645192
  H      -5.700875     -2.045462      0.863274
  H      -1.041569     -1.452814      4.999390
  H      -2.449949     -1.163100      6.029689
  H      -2.619490     -3.107734      4.606409
  H      -6.970081     11.694495      3.153929
  H      -7.695071     10.702516      1.879404
  H      -6.519736     11.983364      1.445367
  H      -7.740587      9.579140      3.994835
  H      -7.832996      7.639454      5.561020
  H      -3.612424      5.451710      6.248767
  H      -4.341732      4.405509      5.029949
  H      -3.805713      8.351762      2.755128
  H      -9.449217     -4.770637      4.606809
  H      -8.254040     -6.102515      4.517832
  H      -8.450451     -4.953332      3.159141
  H      -9.222044     -2.708756      3.371949
  H      -9.255337     -0.237604      3.080509
  H      -5.953426      2.335898      5.775231
  H      -5.158476      1.771468      4.318051
  H      -5.773334     -2.346603      5.922088
  N      -0.599235      2.699377      3.801873
  N      -0.422485      3.690084      3.028775
  H      -1.085408      4.482598      3.024753
  H       0.357204      3.692920      2.367900
90
Coordinates from ORCA-job orca E -6562.081114995613
  N      -1.273584      0.552126      5.659860
  Mo     -2.078872      2.239143      4.965425
  N      -3.859196      2.164691      5.919329
  C      -3.840908      2.604607      7.311280
  C      -2.483037      2.262243      7.909469
  N      -1.368413      2.725809      7.012911
  C      -0.135861      1.926840      7.250888
  C      -0.393812      0.488375      6.801769
  C      -1.122355      4.201290      7.197941
  C      -1.118468      4.860429      5.821923
  N      -2.257330      4.278711      5.098959
  H       0.571120      0.008758      6.550670
  H      -0.837382     -0.111603      7.619976
  H       0.659043      2.384583      6.649834
  H       0.148203      1.973560      8.315358
  H      -1.200055      5.954859      5.912188
  H      -0.175280      4.646619      5.304591
  H      -1.947981      4.596886      7.803345
  H      -0.189789      4.356890      7.761595
  H      -4.610532      2.081611      7.901378
  H      -4.061709      3.684129      7.406499
  H      -2.409324      1.173938      7.986694
  H      -2.343803      2.698628      8.912215
  C      -4.595146     -6.381283      3.035938
  C      -3.794680     -5.260339      3.646924
  O      -2.999581     -5.457851      4.555861
  C      -4.001746     -3.863815      3.125739
  C      -4.882609     -3.560977      2.078256
  C      -5.053830     -2.244229      1.654447
  C      -4.339609     -1.232500      2.278717
  F      -4.561143      0.024956      1.859318
  C      -3.429795     -1.487755      3.331921
  C      -2.714591     -0.433451      4.027112
  O      -2.831283      0.778771      3.681358
  C      -1.841539     -0.697850      5.226998
  C      -3.288879     -2.829652      3.730687
  C      -6.734642     11.212740      2.125032
  C      -5.601824     10.222549      2.243361
  O      -4.591322     10.328033      1.559213
  C      -5.733036      9.097901      3.230400
  C      -6.870901      8.921052      4.033162
  C      -6.940273      7.859519      4.930361
  C      -5.866701      6.980561      5.021357
  F      -5.982468      5.964184      5.910858
  C      -4.704858      7.113754      4.238417
  C      -3.506448      6.212917      4.257730
  O      -2.572211      6.421337      3.492499
  C      -3.468307      5.046065      5.251042
  C      -4.677393      8.195850      3.348378
  C      -8.384214     -5.112052      4.318186
  C      -7.324932     -4.215009      4.916190
  O      -6.381975     -4.678818      5.546876
  C      -7.441867     -2.736092      4.712885
  C      -8.441558     -2.155243      3.913980
  C      -8.486344     -0.777996      3.729005
  C      -7.522801      0.014102      4.345842
  F      -7.591165      1.349009      4.142855
  C      -6.512634     -0.520564      5.166946
  C      -5.422586      0.251431      5.846978
  O      -4.738382     -0.298923      6.700934
  C      -5.131784      1.701913      5.435846
  C      -6.507794     -1.910474      5.330299
  H      -4.419589     -7.304027      3.595777
  H      -5.666637     -6.139267      3.048171
  H      -4.309707     -6.530233      1.984536
  H      -5.456395     -4.350496      1.596008
  H      -5.746225     -1.984205      0.855564
  H      -1.056804     -1.439871      4.972431
  H      -2.464597     -1.171609      6.009283
  H      -2.625231     -3.098704      4.551296
  H      -6.918768     11.705623      3.090986
  H      -7.667380     10.707760      1.834777
  H      -6.478502     11.966629      1.375076
  H      -7.710779      9.610671      3.964044
  H      -7.810305      7.699915      5.565348
  H      -3.612407      5.474773      6.264241
  H      -4.348206      4.419234      5.056860
  H      -3.793077      8.329021      2.725180
  H      -9.383635     -4.840286      4.687142
  H      -8.168940     -6.152615      4.577631
  H      -8.406073     -5.005434      3.223047
  H      -9.188980     -2.774313      3.420435
  H      -9.252457     -0.305577      3.116380
  H      -5.975440      2.322046      5.797228
  H      -5.178885      1.765303      4.337755
  H      -5.734441     -2.358439      5.954686
  N      -0.617152      2.706824      3.812272
  N      -0.435674      3.699708      3.043202
  H      -1.091157      4.499005      3.050573
  H       0.341846      3.699001      2.379778
90
Coordinates from ORCA-job orca E -6562.081179668722
  N      -1.292334      0.551915      5.662493
  Mo     -2.089990      2.247288      4.979413
  N      -3.872020      2.176196      5.934100
  C      -3.850007      2.614291      7.326847
  C      -2.495392      2.257880      7.924565
  N      -1.376948      2.716906      7.030730
  C      -0.149899      1.907906      7.265191
  C      -0.416932      0.474166      6.807051
  C      -1.120222      4.189380      7.224584
  C      -1.115420      4.856393      5.852293
  N      -2.257384      4.284372      5.127905
  H       0.544929     -0.011817      6.556773
  H      -0.868024     -0.126830      7.620393
  H       0.648284      2.363867      6.667097
  H       0.134007      1.946240      8.330010
  H      -1.191711      5.950813      5.948434
  H      -0.174720      4.640210      5.331278
  H      -1.941625      4.587091      7.834392
  H      -0.185192      4.335365      7.786661
  H      -4.624701      2.099494      7.917173
  H      -4.059050      3.696266      7.422016
  H      -2.431020      1.168698      7.996729
  H      -2.352866      2.688825      8.929245
  C      -4.613868     -6.353298      2.960117
  C      -3.809012     -5.239053      3.578407
  O      -2.996854     -5.449898      4.468967
  C      -4.022874     -3.835642      3.079222
  C      -4.910236     -3.519580      2.040968
  C      -5.086150     -2.197347      1.636656
  C      -4.370342     -1.193187      2.271425
  F      -4.597920      0.069473      1.871203
  C      -3.453221     -1.461826      3.315017
  C      -2.735271     -0.415610      4.019925
  O      -2.848491      0.800048      3.684906
  C      -1.862006     -0.693188      5.216686
  C      -3.307352     -2.808900      3.693634
  C      -6.715003     11.189413      2.064310
  C      -5.587826     10.193988      2.191731
  O      -4.582558     10.279370      1.497197
  C      -5.719409      9.087703      3.199276
  C      -6.855068      8.929371      4.008896
  C      -6.925224      7.883709      4.924519
  C      -5.854740      7.002390      5.027205
  F      -5.971121      6.002210      5.934736
  C      -4.694841      7.117436      4.238155
  C      -3.500474      6.212068      4.268786
  O      -2.569683      6.401951      3.494187
  C      -3.464951      5.057889      5.277008
  C      -4.666832      8.183760      3.329376
  C      -8.328187     -5.145847      4.362727
  C      -7.275461     -4.236345      4.953017
  O      -6.325450     -4.688126      5.581638
  C      -7.408704     -2.759070      4.745980
  C      -8.415456     -2.190482      3.947097
  C      -8.475502     -0.814205      3.759631
  C      -7.520561     -0.010368      4.374587
  F      -7.603521      1.323377      4.169954
  C      -6.504257     -0.532354      5.196305
  C      -5.423429      0.253254      5.875073
  O      -4.731626     -0.288932      6.728368
  C      -5.143172      1.703968      5.456704
  C      -6.483382     -1.921965      5.361078
  H      -4.461963     -7.274414      3.529348
  H      -5.682185     -6.098961      2.941785
  H      -4.303999     -6.513541      1.916915
  H      -5.483180     -4.303328      1.548655
  H      -5.782807     -1.927607      0.844761
  H      -1.078577     -1.433996      4.954642
  H      -2.485454     -1.174047      5.994268
  H      -2.636012     -3.088320      4.504505
  H      -6.891378     11.698143      3.023443
  H      -7.652274     10.685811      1.786368
  H      -6.458199     11.929879      1.301316
  H      -7.692567      9.620879      3.930562
  H      -7.793668      7.738347      5.565093
  H      -3.602165      5.497823      6.286131
  H      -4.348349      4.432620      5.093243
  H      -3.784325      8.302776      2.700762
  H      -9.326579     -4.887706      4.744296
  H      -8.096363     -6.184008      4.617444
  H      -8.364662     -5.036924      3.268324
  H      -9.156955     -2.818504      3.455845
  H      -9.247339     -0.351446      3.146805
  H      -5.989895      2.320039      5.817809
  H      -5.192902      1.761844      4.358429
  H      -5.704142     -2.360360      5.984981
  N      -0.629136      2.715944      3.822273
  N      -0.451493      3.713544      3.058829
  H      -1.102963      4.516595      3.080464
  H       0.320030      3.713177      2.388369
90
Coordinates from ORCA-job orca E -6562.081250235859
  N      -1.318611      0.552674      5.661617
  Mo     -2.110181      2.259783      4.999371
  N      -3.894810      2.188084      5.957151
  C      -3.865156      2.619186      7.352143
  C      -2.514546      2.241745      7.946239
  N      -1.393104      2.701041      7.057281
  C      -0.171306      1.881198      7.282847
  C      -0.447770      0.454706      6.808584
  C      -1.126847      4.169299      7.269296
  C      -1.124185      4.852422      5.904701
  N      -2.268540      4.292581      5.176562
  H       0.510591     -0.036727      6.556338
  H      -0.906775     -0.150998      7.613885
  H       0.629208      2.338470      6.688792
  H       0.113461      1.905884      8.347764
  H      -1.196664      5.946167      6.012954
  H      -0.186337      4.637937      5.377659
  H      -1.944037      4.564976      7.886161
  H      -0.189072      4.303373      7.829587
  H      -4.645090      2.113468      7.943033
  H      -4.058040      3.703759      7.451639
  H      -2.461778      1.151341      8.006638
  H      -2.368470      2.661126      8.955416
  C      -4.643593     -6.311878      2.854505
  C      -3.820001     -5.207095      3.466147
  O      -2.974503     -5.436001      4.320478
  C      -4.049208     -3.793909      3.002860
  C      -4.948555     -3.458049      1.980877
  C      -5.133003     -2.128030      1.607344
  C      -4.414926     -1.135083      2.257441
  F      -4.654141      0.134814      1.888274
  C      -3.485757     -1.423355      3.284737
  C      -2.765124     -0.388374      4.004562
  O      -2.875964      0.831854      3.686255
  C      -1.892385     -0.684589      5.197285
  C      -3.330052     -2.777882      3.630923
  C      -6.656433     11.174770      1.974821
  C      -5.545444     10.162823      2.113696
  O      -4.544993     10.215630      1.409158
  C      -5.687464      9.081286      3.146405
  C      -6.822410      8.955876      3.962715
  C      -6.902601      7.931296      4.901231
  C      -5.843002      7.039316      5.020671
  F      -5.969185      6.061057      5.950590
  C      -4.684022      7.121319      4.225675
  C      -3.502184      6.201045      4.272457
  O      -2.577976      6.354832      3.481575
  C      -3.471663      5.075058      5.312339
  C      -4.646475      8.166651      3.293320
  C      -8.231750     -5.206566      4.426949
  C      -7.187918     -4.276704      5.000351
  O      -6.220751     -4.708817      5.616369
  C      -7.356345     -2.801733      4.800433
  C      -8.381872     -2.251565      4.012433
  C      -8.472538     -0.876263      3.830790
  C      -7.529963     -0.054332      4.440798
  F      -7.643250      1.278014      4.242519
  C      -6.495707     -0.557527      5.252129
  C      -5.423499      0.247597      5.920742
  O      -4.722764     -0.278608      6.777099
  C      -5.162818      1.699140      5.490957
  C      -6.444696     -1.946933      5.411267
  H      -4.517340     -7.228160      3.437708
  H      -5.706289     -6.039312      2.808992
  H      -4.316296     -6.493607      1.819787
  H      -5.521266     -4.232378      1.473802
  H      -5.837661     -1.844186      0.827601
  H      -1.111838     -1.424894      4.926031
  H      -2.518589     -1.174445      5.967189
  H      -2.645632     -3.072213      4.425427
  H      -6.819012     11.703943      2.925264
  H      -7.603527     10.681815      1.711267
  H      -6.391996     11.896256      1.196382
  H      -7.651185      9.656169      3.871327
  H      -7.771154      7.810848      5.546832
  H      -3.600807      5.539254      6.311261
  H      -4.359398      4.450352      5.146731
  H      -3.765098      8.260280      2.658767
  H      -9.225224     -4.973425      4.836830
  H      -7.969381     -6.240596      4.668328
  H      -8.300295     -5.091439      3.334930
  H      -9.113912     -2.893627      3.525142
  H      -9.259026     -0.428308      3.225598
  H      -6.015656      2.307007      5.851675
  H      -5.216897      1.747212      4.392409
  H      -5.649711     -2.371344      6.024980
  N      -0.655003      2.740413      3.836683
  N      -0.496322      3.754539      3.090845
  H      -1.151473      4.554411      3.139960
  H       0.265210      3.770184      2.409128
90
Coordinates from ORCA-job orca E -6562.081310173892
  N      -1.323168      0.550354      5.662368
  Mo     -2.114399      2.259668      5.002006
  N      -3.901622      2.191965      5.958794
  C      -3.867827      2.623433      7.353487
  C      -2.519189      2.239272      7.947995
  N      -1.396195      2.697356      7.060533
  C      -0.175310      1.876129      7.285634
  C      -0.453306      0.450565      6.810113
  C      -1.128490      4.165142      7.275431
  C      -1.128739      4.851028      5.912289
  N      -2.275016      4.293068      5.186711
  H       0.504334     -0.042113      6.557764
  H      -0.913966     -0.154990      7.614548
  H       0.625479      2.333091      6.691607
  H       0.109307      1.900101      8.350549
  H      -1.200228      5.944651      6.023119
  H      -0.192576      4.636553      5.381922
  H      -1.945806      4.560628      7.892403
  H      -0.190582      4.297692      7.835735
  H      -4.649096      2.121470      7.945922
  H      -4.055216      3.708922      7.453308
  H      -2.471102      1.148588      8.007384
  H      -2.373878      2.657541      8.957823
  C      -4.641816     -6.311564      2.841233
  C      -3.809243     -5.207586      3.442020
  O      -2.948413     -5.439449      4.280310
  C      -4.045014     -3.793003      2.986932
  C      -4.945440     -3.454607      1.966654
  C      -5.132564     -2.123566      1.598487
  C      -4.417295     -1.131342      2.253021
  F      -4.659589      0.139422      1.889149
  C      -3.488482     -1.421841      3.279761
  C      -2.769906     -0.387772      4.003517
  O      -2.881870      0.833194      3.688379
  C      -1.898789     -0.685457      5.196598
  C      -3.329064     -2.777602      3.619719
  C      -6.644629     11.177866      1.964638
  C      -5.539006     10.159658      2.101192
  O      -4.541285     10.204546      1.392274
  C      -5.682845      9.082539      3.138364
  C      -6.813582      8.968931      3.962430
  C      -6.895248      7.948350      4.905297
  C      -5.841545      7.049248      5.021511
  F      -5.969282      6.075242      5.955981
  C      -4.687283      7.118743      4.218626
  C      -3.512368      6.189340      4.261453
  O      -2.598407      6.325924      3.455591
  C      -3.476354      5.078079      5.316876
  C      -4.648281      8.160071      3.281822
  C      -8.213947     -5.212069      4.429217
  C      -7.176704     -4.278739      5.008676
  O      -6.201526     -4.708315      5.614039
  C      -7.352765     -2.804127      4.812927
  C      -8.380939     -2.256614      4.026287
  C      -8.478129     -0.881181      3.848870
  C      -7.539307     -0.056405      4.460745
  F      -7.659673      1.275958      4.266624
  C      -6.502140     -0.556898      5.269908
  C      -5.431260      0.250869      5.936461
  O      -4.729396     -0.272347      6.793790
  C      -5.170205      1.700330      5.498821
  C      -6.445048     -1.946400      5.425562
  H      -4.517261     -7.224104      3.430902
  H      -5.703536     -6.036261      2.794209
  H      -4.314858     -6.503168      1.808097
  H      -5.517370     -4.227507      1.456111
  H      -5.837707     -1.838619      0.819524
  H      -1.119497     -1.427534      4.927080
  H      -2.527916     -1.175007      5.964716
  H      -2.643062     -3.073146      4.412433
  H      -6.799849     11.711186      2.913998
  H      -7.595730     10.689285      1.707273
  H      -6.379879     11.895081      1.182314
  H      -7.637596      9.675164      3.873691
  H      -7.760998      7.836812      5.556297
  H      -3.599996      5.555291      6.310286
  H      -4.365285      4.451220      5.164214
  H      -3.770719      8.244346      2.640598
  H      -9.208360     -4.988184      4.842040
  H      -7.943904     -6.245854      4.663181
  H      -8.285145     -5.090422      3.338053
  H      -9.109333     -2.901430      3.537141
  H      -9.266950     -0.435542      3.244922
  H      -6.022657      2.309527      5.858278
  H      -5.226613      1.742171      4.400001
  H      -5.648047     -2.368772      6.038099
  N      -0.660887      2.744291      3.839753
  N      -0.496567      3.757213      3.093283
  H      -1.149861      4.559297      3.134380
  H       0.267045      3.768454      2.413635
90
Coordinates from ORCA-job orca E -6562.081370940114
  N      -1.336273      0.548437      5.661657
  Mo     -2.129673      2.261663      5.009898
  N      -3.916140      2.199176      5.968866
  C      -3.873086      2.628846      7.363872
  C      -2.526513      2.232430      7.954831
  N      -1.402895      2.690025      7.067568
  C      -0.183496      1.866066      7.287637
  C      -0.465592      0.443356      6.808101
  C      -1.131289      4.156795      7.287620
  C      -1.137105      4.848871      5.927798
  N      -2.288806      4.296318      5.207208
  H       0.490325     -0.050824      6.552062
  H      -0.927209     -0.163881      7.610728
  H       0.617096      2.323182      6.693348
  H       0.102791      1.886703      8.352127
  H      -1.205519      5.942059      6.044777
  H      -0.203793      4.634775      5.391818
  H      -1.947014      4.551593      7.907235
  H      -0.191747      4.284896      7.846122
  H      -4.655867      2.131595      7.958408
  H      -4.050984      3.715434      7.466823
  H      -2.486142      1.141045      8.008476
  H      -2.378818      2.645377      8.966601
  C      -4.649661     -6.301366      2.815376
  C      -3.808039     -5.200370      3.408361
  O      -2.934709     -5.437030      4.232494
  C      -4.048368     -3.784245      2.962327
  C      -4.946840     -3.442900      1.941512
  C      -5.136242     -2.110454      1.579601
  C      -4.426862     -1.119296      2.242136
  F      -4.671412      0.152794      1.884991
  C      -3.501225     -1.412830      3.270707
  C      -2.785266     -0.381692      4.000840
  O      -2.901645      0.841694      3.695474
  C      -1.912013     -0.684495      5.189989
  C      -3.338410     -2.770062      3.603515
  C      -6.619677     11.180970      1.932884
  C      -5.521775     10.154872      2.073853
  O      -4.527188     10.184602      1.359772
  C      -5.669472      9.089351      3.122510
  C      -6.793785      8.998053      3.958384
  C      -6.879012      7.987926      4.912200
  C      -5.835404      7.077070      5.027449
  F      -5.967085      6.112965      5.971730
  C      -4.688333      7.123838      4.213137
  C      -3.524622      6.180456      4.254091
  O      -2.625393      6.288170      3.427352
  C      -3.484387      5.088826      5.329755
  C      -4.645487      8.155068      3.265181
  C      -8.175299     -5.233051      4.438301
  C      -7.138156     -4.294770      5.010137
  O      -6.161462     -4.719321      5.616904
  C      -7.329699     -2.820770      4.825281
  C      -8.365211     -2.278033      4.044788
  C      -8.476013     -0.902350      3.876976
  C      -7.543495     -0.072440      4.491359
  F      -7.678217      1.260110      4.307155
  C      -6.499370     -0.568037      5.294124
  C      -5.433751      0.245904      5.960606
  O      -4.729242     -0.271284      6.819370
  C      -5.183491      1.696323      5.518576
  C      -6.428833     -1.957882      5.441449
  H      -4.541372     -7.205920      3.420687
  H      -5.707535     -6.017859      2.746336
  H      -4.305717     -6.514108      1.791685
  H      -5.517864     -4.214028      1.426632
  H      -5.840179     -1.823966      0.800022
  H      -1.132824     -1.425133      4.916546
  H      -2.540288     -1.178863      5.956118
  H      -2.654011     -3.067084      4.397053
  H      -6.766052     11.725406      2.877287
  H      -7.575789     10.696982      1.685385
  H      -6.353422     11.887750      1.141592
  H      -7.609855      9.713527      3.870273
  H      -7.740453      7.893600      5.571596
  H      -3.598587      5.584800      6.315045
  H      -4.377060      4.462131      5.195167
  H      -3.773538      8.221899      2.614289
  H      -9.168475     -5.010671      4.855116
  H      -7.901216     -6.265498      4.673708
  H      -8.252290     -5.114776      3.347144
  H      -9.087688     -2.927344      3.552871
  H      -9.271103     -0.460726      3.278255
  H      -6.037956      2.300350      5.882071
  H      -5.247649      1.734621      4.419930
  H      -5.627335     -2.376497      6.050654
  N      -0.678978      2.750177      3.846171
  N      -0.522095      3.763220      3.097098
  H      -1.180014      4.562429      3.132798
  H       0.243877      3.780660      2.419952
90
Coordinates from ORCA-job orca E -6562.081415172257
  N      -1.337328      0.549826      5.658359
  Mo     -2.137386      2.261849      5.010268
  N      -3.921976      2.196033      5.970428
  C      -3.875651      2.626584      7.365440
  C      -2.528490      2.228119      7.953851
  N      -1.406343      2.689910      7.066898
  C      -0.185231      1.868960      7.284255
  C      -0.464925      0.446166      6.803503
  C      -1.138370      4.156947      7.288610
  C      -1.149492      4.851425      5.930255
  N      -2.301738      4.296438      5.212238
  H       0.492076     -0.044675      6.544791
  H      -0.923880     -0.163705      7.605606
  H       0.614069      2.328211      6.689960
  H       0.101873      1.889023      8.348588
  H      -1.221275      5.944038      6.050498
  H      -0.215719      4.642486      5.393077
  H      -1.953909      4.548139      7.910659
  H      -0.197734      4.286159      7.845069
  H      -4.658908      2.131019      7.960823
  H      -4.050409      3.713390      7.468742
  H      -2.488021      1.136528      8.001776
  H      -2.379755      2.636526      8.967347
  C      -4.640241     -6.304682      2.810849
  C      -3.798521     -5.203226      3.402430
  O      -2.927954     -5.439093      4.229790
  C      -4.038926     -3.787424      2.955897
  C      -4.934689     -3.447600      1.932572
  C      -5.125142     -2.115391      1.570146
  C      -4.420271     -1.123068      2.235387
  F      -4.665513      0.148779      1.878407
  C      -3.497569     -1.414989      3.267096
  C      -2.785641     -0.382879      3.999209
  O      -2.907506      0.840433      3.696284
  C      -1.910139     -0.684117      5.186819
  C      -3.333006     -2.772120      3.600070
  C      -6.591383     11.202604      1.934353
  C      -5.499907     10.169870      2.076545
  O      -4.503090     10.195454      1.365448
  C      -5.657467      9.101849      3.121210
  C      -6.781831      9.018693      3.957834
  C      -6.876566      8.006297      4.908278
  C      -5.841841      7.084592      5.019378
  F      -5.982826      6.117364      5.958800
  C      -4.695246      7.123323      4.204243
  C      -3.540090      6.169783      4.241779
  O      -2.646700      6.263884      3.406944
  C      -3.496612      5.089183      5.328847
  C      -4.642707      8.157127      3.259486
  C      -8.177375     -5.242890      4.451973
  C      -7.135120     -4.304011      5.013963
  O      -6.146240     -4.728643      5.600628
  C      -7.329553     -2.830510      4.831256
  C      -8.372001     -2.288729      4.059535
  C      -8.486317     -0.913007      3.894256
  C      -7.550402     -0.082233      4.502365
  F      -7.689485      1.250300      4.321128
  C      -6.499355     -0.577271      5.296461
  C      -5.432100      0.236946      5.960550
  O      -4.724280     -0.280450      6.816129
  C      -5.189088      1.689694      5.522853
  C      -6.425171     -1.967077      5.441245
  H      -4.534906     -7.207034      3.420064
  H      -5.697246     -6.019692      2.737526
  H      -4.292358     -6.522957      1.789816
  H      -5.504322     -4.219360      1.417361
  H      -5.827318     -1.830049      0.788614
  H      -1.128851     -1.422304      4.912528
  H      -2.536001     -1.180380      5.953522
  H      -2.651731     -3.068159      4.396493
  H      -6.734981     11.747862      2.878650
  H      -7.550184     10.724559      1.686011
  H      -6.319945     11.907911      1.143584
  H      -7.590710      9.742597      3.872965
  H      -7.738523      7.918099      5.567713
  H      -3.609600      5.595282      6.309142
  H      -4.389339      4.460762      5.201201
  H      -3.770830      8.217951      2.608063
  H      -9.167027     -5.020888      4.876993
  H      -7.901190     -6.275375      4.684466
  H      -8.263500     -5.124426      3.361466
  H      -9.097056     -2.938560      3.572320
  H      -9.287233     -0.472136      3.302911
  H      -6.044085      2.288957      5.892808
  H      -5.259189      1.732732      4.424817
  H      -5.619540     -2.385379      6.045172
  N      -0.691794      2.755573      3.845106
  N      -0.547682      3.773503      3.100284
  H      -1.213868      4.565742      3.141675
  H       0.217633      3.804341      2.422962
90
Coordinates from ORCA-job orca E -6562.081465192691
  N      -1.346420      0.552213      5.652373
  Mo     -2.152179      2.264779      5.011749
  N      -3.933708      2.197478      5.973422
  C      -3.883220      2.629711      7.368560
  C      -2.535840      2.226279      7.953645
  N      -1.413695      2.689629      7.066894
  C      -0.193164      1.867883      7.281106
  C      -0.473684      0.446335      6.797061
  C      -1.144474      4.155956      7.290562
  C      -1.161869      4.853399      5.933994
  N      -2.316547      4.298632      5.220603
  H       0.483462     -0.043424      6.536380
  H      -0.932282     -0.165942      7.597553
  H       0.606607      2.327877      6.688115
  H       0.094578      1.884798      8.345430
  H      -1.234956      5.945591      6.058319
  H      -0.228957      4.648556      5.393709
  H      -1.956543      4.545336      7.918211
  H      -0.200607      4.282651      7.842183
  H      -4.668927      2.139379      7.964975
  H      -4.050755      3.717569      7.470391
  H      -2.497695      1.134377      7.994049
  H      -2.383591      2.628362      8.969146
  C      -4.654317     -6.298022      2.808240
  C      -3.805213     -5.198672      3.393230
  O      -2.932389     -5.436217      4.217671
  C      -4.044564     -3.782636      2.947146
  C      -4.942472     -3.442512      1.926034
  C      -5.133223     -2.110046      1.564052
  C      -4.427804     -1.118260      2.228911
  F      -4.674023      0.154112      1.874687
  C      -3.503250     -1.410671      3.259242
  C      -2.793280     -0.379819      3.993733
  O      -2.922917      0.844686      3.698636
  C      -1.911961     -0.682849      5.176092
  C      -3.336793     -2.768026      3.590412
  C      -6.558467     11.227273      1.934339
  C      -5.473704     10.188091      2.079682
  O      -4.473752     10.209034      1.372804
  C      -5.641969      9.118556      3.121134
  C      -6.765914      9.045502      3.959085
  C      -6.871565      8.031702      4.906749
  C      -5.847316      7.097453      5.013518
  F      -5.998088      6.127765      5.948299
  C      -4.701720      7.126359      4.196796
  C      -3.557341      6.160708      4.231054
  O      -2.671192      6.237666      3.386507
  C      -3.509612      5.093235      5.331781
  C      -4.637731      8.162158      3.254822
  C      -8.151338     -5.269768      4.476532
  C      -7.112485     -4.323981      5.033772
  O      -6.121329     -4.742364      5.620915
  C      -7.310625     -2.852443      4.841023
  C      -8.351961     -2.319356      4.062041
  C      -8.470770     -0.945135      3.887780
  C      -7.540534     -0.107120      4.494794
  F      -7.683309      1.223628      4.303810
  C      -6.490951     -0.593419      5.296131
  C      -5.431334      0.228917      5.964264
  O      -4.721513     -0.283754      6.820704
  C      -5.199868      1.683995      5.529401
  C      -6.411871     -1.982120      5.449731
  H      -4.557103     -7.196433      3.424600
  H      -5.708752     -6.004883      2.730285
  H      -4.304576     -6.528113      1.790448
  H      -5.512713     -4.214118      1.411747
  H      -5.836560     -1.824243      0.783752
  H      -1.126388     -1.414295      4.895482
  H      -2.531179     -1.186857      5.942921
  H      -2.655605     -3.064735      4.386594
  H      -6.699043     11.774984      2.877693
  H      -7.520079     10.755026      1.686013
  H      -6.281595     11.929857      1.143082
  H      -7.566398      9.779091      3.877675
  H      -7.733619      7.951327      5.566983
  H      -3.619954      5.611160      6.306170
  H      -4.403307      4.464059      5.213057
  H      -3.766148      8.215492      2.602515
  H      -9.144392     -5.044059      4.891227
  H      -7.876461     -6.299614      4.721717
  H      -8.228803     -5.163025      3.384063
  H      -9.072859     -2.974461      3.575773
  H      -9.271140     -0.510843      3.290921
  H      -6.056218      2.276885      5.906261
  H      -5.276867      1.731363      4.432194
  H      -5.607521     -2.393956      6.059717
  N      -0.712697      2.762125      3.843266
  N      -0.563539      3.783519      3.105255
  H      -1.231124      4.574865      3.146597
  H       0.199801      3.814133      2.425720
90
Coordinates from ORCA-job orca E -6562.081517505888
  N      -1.339414      0.554263      5.650960
  Mo     -2.150334      2.265093      5.010049
  N      -3.932336      2.193730      5.968025
  C      -3.884230      2.629576      7.362346
  C      -2.537263      2.228492      7.949505
  N      -1.413332      2.693065      7.065024
  C      -0.192457      1.872573      7.282284
  C      -0.469084      0.450495      6.797854
  C      -1.146041      4.159876      7.287874
  C      -1.169636      4.857658      5.931271
  N      -2.322906      4.297987      5.220469
  H       0.489924     -0.037195      6.539920
  H      -0.928009     -0.162654      7.597535
  H       0.608611      2.333353      6.691713
  H       0.092890      1.889691      8.347327
  H      -1.247977      5.949412      6.057378
  H      -0.236256      4.658833      5.389378
  H      -1.955722      4.547176      7.919927
  H      -0.199662      4.287351      7.835019
  H      -4.671963      2.141689      7.958004
  H      -4.050469      3.718103      7.459956
  H      -2.497402      1.136603      7.987951
  H      -2.386162      2.629251      8.965627
  C      -4.638679     -6.304983      2.814323
  C      -3.790962     -5.203930      3.399017
  O      -2.919192     -5.439516      4.225104
  C      -4.029686     -3.788573      2.949652
  C      -4.924481     -3.451264      1.924877
  C      -5.114067     -2.119712      1.558614
  C      -4.411260     -1.126417      2.223536
  F      -4.654914      0.145105      1.864567
  C      -3.489937     -1.415809      3.258061
  C      -2.783758     -0.383325      3.993766
  O      -2.915989      0.840875      3.698644
  C      -1.902526     -0.683281      5.177324
  C      -3.323669     -2.772411      3.592730
  C      -6.548730     11.243593      1.953528
  C      -5.463666     10.205029      2.099657
  O      -4.458747     10.231858      1.399966
  C      -5.638841      9.126585      3.130772
  C      -6.763865      9.052070      3.966914
  C      -6.876678      8.030941      4.905713
  C      -5.857712      7.089857      5.005200
  F      -6.013781      6.112460      5.930520
  C      -4.711598      7.120032      4.189292
  C      -3.572862      6.148277      4.217977
  O      -2.692715      6.217031      3.366201
  C      -3.518413      5.088192      5.326554
  C      -4.639868      8.163507      3.256330
  C      -8.181445     -5.266268      4.497784
  C      -7.128629     -4.323184      5.033168
  O      -6.131065     -4.743987      5.607543
  C      -7.322838     -2.851451      4.839076
  C      -8.366537     -2.316641      4.064694
  C      -8.480839     -0.942508      3.886759
  C      -7.544628     -0.106396      4.487391
  F      -7.683721      1.224303      4.293393
  C      -6.493348     -0.594592      5.285425
  C      -5.429477      0.225452      5.951405
  O      -4.718803     -0.289538      6.805548
  C      -5.198025      1.681071      5.520990
  C      -6.417990     -1.983206      5.441625
  H      -4.542422     -7.202271      3.432488
  H      -5.692880     -6.010842      2.735911
  H      -4.288105     -6.537797      1.797472
  H      -5.490701     -4.224719      1.409228
  H      -5.813742     -1.835850      0.774288
  H      -1.115284     -1.414086      4.899789
  H      -2.522037     -1.186046      5.944970
  H      -2.644542     -3.067572      4.391290
  H      -6.691499     11.788813      2.898115
  H      -7.509564     10.771640      1.701797
  H      -6.269932     11.948885      1.165349
  H      -7.559939      9.791204      3.891662
  H      -7.739663      7.949578      5.564641
  H      -3.632433      5.611971      6.297460
  H      -4.409534      4.454684      5.210309
  H      -3.767340      8.218151      2.605468
  H      -9.169907     -5.027000      4.915528
  H      -7.913785     -6.295528      4.753098
  H      -8.264328     -5.172240      3.404412
  H      -9.092778     -2.969920      3.583832
  H      -9.282327     -0.506508      3.292614
  H      -6.054060      2.272513      5.901192
  H      -5.275725      1.734468      4.424316
  H      -5.611480     -2.396488      6.047730
  N      -0.714234      2.764972      3.845096
  N      -0.568505      3.779425      3.095616
  H      -1.238389      4.569494      3.132083
  H       0.190538      3.802729      2.410923
90
Coordinates from ORCA-job orca E -6562.081546783901
  N      -1.354133      0.553708      5.653555
  Mo     -2.163167      2.268661      5.020620
  N      -3.942917      2.204135      5.981021
  C      -3.889655      2.637680      7.376195
  C      -2.544264      2.226084      7.959634
  N      -1.418987      2.687859      7.075035
  C      -0.202139      1.860787      7.289634
  C      -0.485384      0.441678      6.800973
  C      -1.144151      4.152778      7.302003
  C      -1.170803      4.855012      5.947477
  N      -2.326846      4.300553      5.238422
  H       0.471257     -0.050442      6.542803
  H      -0.948091     -0.171337      7.598663
  H       0.601149      2.319582      6.700512
  H       0.083641      1.872939      8.354624
  H      -1.246536      5.946596      6.077506
  H      -0.239615      4.656285      5.401758
  H      -1.948583      4.541641      7.939775
  H      -0.194387      4.273741      7.844664
  H      -4.680439      2.156330      7.972747
  H      -4.046103      3.727632      7.473973
  H      -2.510787      1.133695      7.991971
  H      -2.388060      2.620929      8.977312
  C      -4.650492     -6.290032      2.771546
  C      -3.802917     -5.192004      3.363290
  O      -2.926522     -5.433302      4.182558
  C      -4.045175     -3.773324      2.926179
  C      -4.942186     -3.429179      1.905533
  C      -5.134301     -2.094904      1.550172
  C      -4.431095     -1.106250      2.221517
  F      -4.676527      0.167710      1.872265
  C      -3.506746     -1.402668      3.251424
  C      -2.799480     -0.375439      3.993056
  O      -2.933362      0.851326      3.708696
  C      -1.912555     -0.682817      5.170614
  C      -3.338522     -2.761520      3.575404
  C      -6.531513     11.231363      1.915645
  C      -5.448044     10.192866      2.072960
  O      -4.440336     10.214001      1.377071
  C      -5.626694      9.123376      3.112761
  C      -6.751140      9.060196      3.950418
  C      -6.867248      8.047452      4.897856
  C      -5.852010      7.103087      5.004337
  F      -6.010428      6.134097      5.937710
  C      -4.706968      7.121538      4.186220
  C      -3.573846      6.143974      4.220856
  O      -2.700803      6.194292      3.360226
  C      -3.519508      5.095136      5.340644
  C      -4.631661      8.157034      3.244808
  C      -8.135896     -5.285857      4.511460
  C      -7.089764     -4.334342      5.044887
  O      -6.083908     -4.747277      5.610186
  C      -7.299073     -2.863697      4.856976
  C      -8.350850     -2.336004      4.088708
  C      -8.477197     -0.962580      3.913721
  C      -7.545263     -0.119960      4.512061
  F      -7.695410      1.209926      4.321258
  C      -6.486830     -0.600994      5.304863
  C      -5.426230      0.226759      5.966792
  O      -4.707394     -0.283993      6.816774
  C      -5.207529      1.684682      5.538645
  C      -6.398974     -1.989277      5.457366
  H      -4.568457     -7.185565      3.394179
  H      -5.701497     -5.990728      2.675014
  H      -4.285482     -6.529108      1.761118
  H      -5.506781     -4.199642      1.383579
  H      -5.835393     -1.805641      0.769138
  H      -1.122867     -1.407066      4.882927
  H      -2.525556     -1.195850      5.936432
  H      -2.655966     -3.062364      4.368954
  H      -6.672360     11.787381      2.854279
  H      -7.493427     10.758533      1.670035
  H      -6.251727     11.927680      1.119876
  H      -7.544187      9.802028      3.869905
  H      -7.729751      7.975004      5.558464
  H      -3.630057      5.627722      6.307055
  H      -4.412923      4.463400      5.231504
  H      -3.759850      8.202642      2.592304
  H      -9.126389     -5.055376      4.929062
  H      -7.858896     -6.312866      4.765842
  H      -8.219218     -5.192190      3.417960
  H      -9.073961     -2.994069      3.609567
  H      -9.284361     -0.531907      3.323395
  H      -6.065473      2.269041      5.925623
  H      -5.290782      1.741895      4.442673
  H      -5.585017     -2.397142      6.057086
  N      -0.729977      2.767049      3.850273
  N      -0.592552      3.785135      3.104346
  H      -1.263141      4.574413      3.152287
  H       0.161679      3.812997      2.414495
90
Coordinates from ORCA-job orca E -6562.081598985738
  N      -1.346730      0.554053      5.651098
  Mo     -2.156597      2.268071      5.015365
  N      -3.938352      2.205983      5.972314
  C      -3.887728      2.638089      7.367968
  C      -2.542315      2.228166      7.952709
  N      -1.415450      2.690377      7.069865
  C      -0.199349      1.863052      7.289094
  C      -0.481212      0.443129      6.801561
  C      -1.141159      4.155534      7.297358
  C      -1.171241      4.858047      5.942541
  N      -2.324014      4.300036      5.232601
  H       0.475864     -0.050211      6.547897
  H      -0.946271     -0.167894      7.599452
  H       0.605446      2.321417      6.701615
  H       0.083748      1.876154      8.354728
  H      -1.250978      5.949440      6.072610
  H      -0.240000      4.662812      5.395715
  H      -1.943589      4.544287      7.937693
  H      -0.190005      4.276922      7.837281
  H      -4.678517      2.156018      7.963723
  H      -4.045843      3.727981      7.465119
  H      -2.507213      1.135735      7.985390
  H      -2.387423      2.623320      8.970459
  C      -4.656834     -6.295645      2.793834
  C      -3.805258     -5.195999      3.377557
  O      -2.925006     -5.435383      4.193083
  C      -4.047718     -3.777814      2.937504
  C      -4.947732     -3.433765      1.919219
  C      -5.138496     -2.099792      1.561821
  C      -4.429612     -1.111430      2.227973
  F      -4.672832      0.162142      1.875184
  C      -3.502791     -1.407650      3.255356
  C      -2.792600     -0.379830      3.993610
  O      -2.925422      0.846609      3.708432
  C      -1.903395     -0.685076      5.170805
  C      -3.336855     -2.765977      3.581983
  C      -6.531844     11.244197      1.942579
  C      -5.442758     10.212028      2.102025
  O      -4.423015     10.252592      1.424763
  C      -5.628472      9.127506      3.124928
  C      -6.759500      9.051234      3.952340
  C      -6.880672      8.026506      4.886301
  C      -5.863911      7.083829      4.989826
  F      -6.026778      6.103315      5.910296
  C      -4.712948      7.113806      4.179587
  C      -3.579861      6.135918      4.210263
  O      -2.713482      6.182911      3.342727
  C      -3.520532      5.089370      5.332075
  C      -4.632807      8.160867      3.251838
  C      -8.146228     -5.280677      4.518261
  C      -7.099329     -4.330199      5.051180
  O      -6.099199     -4.743333      5.626484
  C      -7.301455     -2.859635      4.853771
  C      -8.343306     -2.332759      4.071419
  C      -8.461727     -0.960165      3.885379
  C      -7.532344     -0.117572      4.487905
  F      -7.674663      1.211633      4.287290
  C      -6.483530     -0.597600      5.294008
  C      -5.423709      0.230806      5.955691
  O      -4.704866     -0.280100      6.805867
  C      -5.202530      1.688104      5.527408
  C      -6.402768     -1.985235      5.455749
  H      -4.560870     -7.194195      3.410091
  H      -5.710654     -5.998459      2.722175
  H      -4.313264     -6.527022      1.774461
  H      -5.515182     -4.204418      1.400452
  H      -5.841785     -1.810468      0.782850
  H      -1.113165     -1.408333      4.882541
  H      -2.514158     -1.198388      5.938023
  H      -2.651037     -3.066853      4.372770
  H      -6.680901     11.794312      2.883590
  H      -7.489779     10.767770      1.689156
  H      -6.250679     11.947307      1.153272
  H      -7.553475      9.792378      3.874913
  H      -7.748256      7.943603      5.539022
  H      -3.636986      5.620798      6.298241
  H      -4.410820      4.453778      5.220164
  H      -3.756327      8.216107      2.606273
  H      -9.143177     -5.032688      4.908923
  H      -7.883714     -6.305182      4.797045
  H      -8.203826     -5.208027      3.421301
  H      -9.065024     -2.990893      3.590154
  H      -9.260218     -0.529731      3.283209
  H      -6.061370      2.272714      5.912267
  H      -5.281734      1.746358      4.431087
  H      -5.595081     -2.392188      6.064509
  N      -0.727764      2.768690      3.843267
  N      -0.593812      3.788638      3.099052
  H      -1.268406      4.574177      3.148000
  H       0.159411      3.817288      2.408430
90
Coordinates from ORCA-job orca E -6562.081676003738
  N      -1.354377      0.552591      5.655198
  Mo     -2.160408      2.268830      5.017577
  N      -3.943791      2.214176      5.972145
  C      -3.894397      2.645596      7.367828
  C      -2.551018      2.232805      7.954849
  N      -1.420966      2.689728      7.072373
  C      -0.208252      1.857769      7.296128
  C      -0.493884      0.438707      6.809111
  C      -1.140478      4.154230      7.299674
  C      -1.171752      4.857464      5.944834
  N      -2.323921      4.300979      5.234245
  H       0.461763     -0.059858      6.560589
  H      -0.964833     -0.168817      7.606381
  H       0.599412      2.312915      6.709875
  H       0.072218      1.871175      8.362366
  H      -1.250560      5.948931      6.074769
  H      -0.241728      4.660644      5.396152
  H      -1.938609      4.546532      7.943262
  H      -0.186850      4.272103      7.835770
  H      -4.686146      2.164805      7.963215
  H      -4.051577      3.735818      7.464350
  H      -2.519377      1.140329      7.990772
  H      -2.395914      2.630188      8.971713
  C      -4.651859     -6.292236      2.769153
  C      -3.802968     -5.193558      3.358740
  O      -2.918286     -5.434988      4.168732
  C      -4.051884     -3.773699      2.927708
  C      -4.958224     -3.426205      1.915962
  C      -5.153898     -2.090938      1.566573
  C      -4.442954     -1.104470      2.233890
  F      -4.691277      0.170448      1.888746
  C      -3.510657     -1.404137      3.254906
  C      -2.798135     -0.378594      3.994124
  O      -2.929310      0.848938      3.712844
  C      -1.906690     -0.686588      5.168848
  C      -3.340580     -2.763578      3.574068
  C      -6.522374     11.248003      1.936992
  C      -5.429976     10.220523      2.104533
  O      -4.402613     10.268868      1.439398
  C      -5.621791      9.131501      3.121540
  C      -6.756973      9.052422      3.943051
  C      -6.881456      8.025265      4.874082
  C      -5.864816      7.083208      4.980295
  F      -6.031136      6.101089      5.898784
  C      -4.710492      7.114505      4.174464
  C      -3.579100      6.134229      4.205944
  O      -2.715877      6.176440      3.335138
  C      -3.520502      5.091067      5.330324
  C      -4.626773      8.164049      3.250168
  C      -8.129576     -5.289095      4.530167
  C      -7.083507     -4.336005      5.059205
  O      -6.076708     -4.746190      5.625050
  C      -7.292842     -2.865534      4.865823
  C      -8.339303     -2.341618      4.087382
  C      -8.463340     -0.969274      3.903085
  C      -7.535112     -0.123923      4.503454
  F      -7.683747      1.205141      4.306354
  C      -6.481542     -0.600649      5.305171
  C      -5.421402      0.231965      5.959494
  O      -4.696340     -0.275598      6.806940
  C      -5.205313      1.689294      5.527913
  C      -6.394944     -1.988242      5.464893
  H      -4.553737     -7.193952      3.380415
  H      -5.706767     -5.997948      2.699134
  H      -4.309038     -6.515747      1.747699
  H      -5.526913     -4.195742      1.396396
  H      -5.862216     -1.798989      0.793105
  H      -1.114387     -1.405002      4.874031
  H      -2.513546     -1.207100      5.934295
  H      -2.649328     -3.066901      4.359318
  H      -6.673446     11.803003      2.875002
  H      -7.479182     10.768485      1.685502
  H      -6.241343     11.948206      1.144980
  H      -7.551133      9.793172      3.863601
  H      -7.752110      7.940085      5.522548
  H      -3.639171      5.622923      6.295726
  H      -4.410621      4.455200      5.217195
  H      -3.747449      8.220961      2.608464
  H      -9.128940     -5.039004      4.912716
  H      -7.866867     -6.311735      4.815934
  H      -8.180009     -5.223863      3.432120
  H      -9.060456     -3.002093      3.608249
  H      -9.264993     -0.540875      3.303551
  H      -6.067617      2.270717      5.910034
  H      -5.282135      1.744878      4.431216
  H      -5.582973     -2.392332      6.069922
  N      -0.732211      2.767716      3.844673
  N      -0.591866      3.784221      3.095968
  H      -1.262420      4.573498      3.140079
  H       0.162826      3.804068      2.406729
90
Coordinates from ORCA-job orca E -6562.081804453836
  N      -1.360886      0.551326      5.657730
  Mo     -2.166008      2.267789      5.013674
  N      -3.953280      2.219310      5.963751
  C      -3.907629      2.653420      7.358065
  C      -2.567024      2.240792      7.951018
  N      -1.432890      2.691274      7.069255
  C      -0.222453      1.857273      7.301736
  C      -0.508781      0.438005      6.817445
  C      -1.148143      4.155867      7.294559
  C      -1.182441      4.859244      5.939458
  N      -2.332021      4.300465      5.227597
  H       0.446683     -0.065067      6.577637
  H      -0.987273     -0.165094      7.613773
  H       0.588033      2.309232      6.716705
  H       0.053157      1.874489      8.369041
  H      -1.263589      5.950489      6.068701
  H      -0.252649      4.662590      5.389694
  H      -1.941523      4.551253      7.942190
  H      -0.191229      4.272326      7.824822
  H      -4.699658      2.172343      7.953171
  H      -4.067620      3.743446      7.452825
  H      -2.538148      1.148584      7.994908
  H      -2.414180      2.644655      8.965707
  C      -4.630534     -6.298713      2.754994
  C      -3.782958     -5.199321      3.344144
  O      -2.891309     -5.439696      4.146769
  C      -4.042528     -3.779147      2.920602
  C      -4.960365     -3.431520      1.919109
  C      -5.165838     -2.096089      1.577256
  C      -4.453437     -1.108649      2.242348
  F      -4.712358      0.166556      1.905297
  C      -3.511305     -1.408170      3.253588
  C      -2.797777     -0.382078      3.991264
  O      -2.929549      0.845581      3.711784
  C      -1.903568     -0.689165      5.163621
  C      -3.331234     -2.768059      3.565124
  C      -6.490516     11.278374      1.951870
  C      -5.398827     10.250953      2.125681
  O      -4.360490     10.308891      1.478671
  C      -5.605201      9.150826      3.127708
  C      -6.744477      9.071705      3.943745
  C      -6.878127      8.037061      4.865478
  C      -5.868326      7.087812      4.967006
  F      -6.044009      6.099908      5.878270
  C      -4.711701      7.116700      4.164245
  C      -3.588974      6.125562      4.188809
  O      -2.733779      6.157822      3.309863
  C      -3.530075      5.089207      5.317819
  C      -4.617932      8.174312      3.250659
  C      -8.122361     -5.302950      4.554073
  C      -7.072526     -4.347633      5.070612
  O      -6.055781     -4.754757      5.620899
  C      -7.288453     -2.877627      4.879019
  C      -8.338183     -2.357720      4.101941
  C      -8.466800     -0.985889      3.916664
  C      -7.540320     -0.137042      4.514568
  F      -7.693806      1.191435      4.316461
  C      -6.483091     -0.609431      5.314245
  C      -5.422925      0.227911      5.959587
  O      -4.692801     -0.274311      6.806612
  C      -5.210198      1.683691      5.519700
  C      -6.391859     -1.996670      5.474812
  H      -4.513667     -7.207024      3.353063
  H      -5.689737     -6.014068      2.708168
  H      -4.306732     -6.503779      1.723532
  H      -5.531978     -4.201778      1.403476
  H      -5.883538     -1.804231      0.812383
  H      -1.105845     -1.398268      4.860174
  H      -2.503777     -1.220884      5.926396
  H      -2.632113     -3.070771      4.343708
  H      -6.632780     11.842908      2.885897
  H      -7.451269     10.801753      1.711246
  H      -6.210014     11.971471      1.153367
  H      -7.533626      9.818147      3.867892
  H      -7.751758      7.951690      5.510007
  H      -3.653005      5.622360      6.281723
  H      -4.418554      4.450858      5.202935
  H      -3.736018      8.230900      2.612303
  H      -9.124922     -5.039811      4.917855
  H      -7.866835     -6.321587      4.860361
  H      -8.157316     -5.259352      3.453954
  H      -9.057508     -3.021427      3.624417
  H      -9.270240     -0.560393      3.317351
  H      -6.077721      2.262762      5.893193
  H      -5.281498      1.731072      4.422003
  H      -5.576963     -2.396862      6.078638
  N      -0.743127      2.769997      3.838941
  N      -0.612369      3.783199      3.082191
  H      -1.285248      4.570669      3.126925
  H       0.144241      3.804095      2.395237
90
Coordinates from ORCA-job orca E -6562.081963406296
  N      -1.371863      0.548119      5.666104
  Mo     -2.173302      2.262423      5.007697
  N      -3.964327      2.224657      5.951967
  C      -3.923526      2.663665      7.344469
  C      -2.584638      2.255743      7.944930
  N      -1.446850      2.696812      7.061989
  C      -0.238602      1.861966      7.305970
  C      -0.527864      0.440554      6.831480
  C      -1.157382      4.162451      7.277776
  C      -1.188365      4.858777      5.919246
  N      -2.337348      4.298084      5.207481
  H       0.426865     -0.068716      6.601597
  H      -1.014429     -0.154434      7.629279
  H       0.574558      2.307139      6.719335
  H       0.032677      1.888325      8.374086
  H      -1.267961      5.950697      6.042150
  H      -0.257908      4.656022      5.372375
  H      -1.948033      4.564532      7.924628
  H      -0.198755      4.279281      7.804807
  H      -4.714883      2.179688      7.938739
  H      -4.090096      3.752776      7.437818
  H      -2.557448      1.164039      8.001237
  H      -2.434110      2.670265      8.955648
  C      -4.593138     -6.316120      2.743519
  C      -3.759149     -5.214376      3.345691
  O      -2.874907     -5.450424      4.157814
  C      -4.027714     -3.795076      2.925221
  C      -4.951830     -3.451293      1.928074
  C      -5.167320     -2.116922      1.589612
  C      -4.458454     -1.125849      2.253418
  F      -4.725388      0.148533      1.918799
  C      -3.510977     -1.421235      3.260486
  C      -2.798444     -0.392239      3.994883
  O      -2.931892      0.834684      3.712956
  C      -1.899768     -0.694930      5.163939
  C      -3.321395     -2.780583      3.569597
  C      -6.468488     11.312235      1.976479
  C      -5.374223     10.288282      2.155909
  O      -4.325422     10.360060      1.527455
  C      -5.590800      9.175734      3.141757
  C      -6.732732      9.092529      3.954053
  C      -6.871921      8.048647      4.864698
  C      -5.866723      7.094021      4.957753
  F      -6.049476      6.096739      5.858195
  C      -4.708904      7.125476      4.157426
  C      -3.591425      6.127588      4.172089
  O      -2.740869      6.158891      3.288838
  C      -3.534779      5.088711      5.297037
  C      -4.608544      8.192924      3.256233
  C      -8.125876     -5.310790      4.568337
  C      -7.066773     -4.354793      5.064495
  O      -6.035596     -4.761343      5.587848
  C      -7.290374     -2.884810      4.881495
  C      -8.350975     -2.366060      4.118378
  C      -8.486269     -0.993970      3.939117
  C      -7.555863     -0.143810      4.528702
  F      -7.717522      1.184746      4.337097
  C      -6.487588     -0.614893      5.314606
  C      -5.423634      0.223975      5.949830
  O      -4.685722     -0.276189      6.791740
  C      -5.217295      1.680359      5.507643
  C      -6.389777     -2.002427      5.469577
  H      -4.444008     -7.237610      3.313535
  H      -5.659455     -6.053715      2.730149
  H      -4.292620     -6.482919      1.698179
  H      -5.521859     -4.224497      1.414979
  H      -5.890109     -1.828170      0.828230
  H      -1.093225     -1.389689      4.848797
  H      -2.487950     -1.241930      5.925132
  H      -2.618589     -3.079662      4.346347
  H      -6.597305     11.889849      2.904881
  H      -7.433745     10.836734      1.753794
  H      -6.193616     11.995615      1.167604
  H      -7.518787      9.842888      3.884373
  H      -7.747414      7.960171      5.506374
  H      -3.660348      5.617102      6.263029
  H      -4.423051      4.450445      5.176899
  H      -3.724783      8.252672      2.620571
  H      -9.128654     -5.033691      4.919567
  H      -7.877475     -6.325518      4.893337
  H      -8.152598     -5.289107      3.466889
  H      -9.072509     -3.031412      3.646435
  H      -9.298230     -0.569221      3.350735
  H      -6.088997      2.256319      5.875822
  H      -5.286314      1.722630      4.409447
  H      -5.566831     -2.400887      6.063654
  N      -0.755268      2.760703      3.826642
  N      -0.617977      3.770860      3.066778
  H      -1.289385      4.560239      3.105240
  H       0.144871      3.788263      2.386692
90
Coordinates from ORCA-job orca E -6562.082148675332
  N      -1.389309      0.546854      5.671389
  Mo     -2.190727      2.261031      5.008847
  N      -3.982585      2.228862      5.953835
  C      -3.940951      2.672542      7.344165
  C      -2.603674      2.264487      7.947747
  N      -1.464360      2.697399      7.062235
  C      -0.257828      1.860007      7.310187
  C      -0.551018      0.439075      6.839844
  C      -1.168720      4.163188      7.272114
  C      -1.200786      4.856615      5.912404
  N      -2.353129      4.297509      5.203738
  H       0.402533     -0.074922      6.615026
  H      -1.043912     -0.152153      7.636804
  H       0.556398      2.300432      6.721356
  H       0.012679      1.890911      8.378298
  H      -1.277466      5.948891      6.033347
  H      -0.271636      4.649108      5.364676
  H      -1.954758      4.569463      7.922059
  H      -0.206566      4.278062      7.793203
  H      -4.732268      2.188685      7.939132
  H      -4.108446      3.761586      7.437004
  H      -2.580364      1.173050      8.011714
  H      -2.452064      2.685470      8.955577
  C      -4.567558     -6.321588      2.724684
  C      -3.733934     -5.219503      3.325329
  O      -2.841022     -5.454244      4.128424
  C      -4.016194     -3.800262      2.914285
  C      -4.954653     -3.459176      1.929499
  C      -5.185224     -2.125236      1.600361
  C      -4.477995     -1.131245      2.261426
  F      -4.759816      0.142916      1.938190
  C      -3.517607     -1.423659      3.257231
  C      -2.806733     -0.393264      3.991254
  O      -2.947084      0.834126      3.713436
  C      -1.901073     -0.695856      5.153321
  C      -3.312308     -2.783129      3.556877
  C      -6.428190     11.341565      1.974247
  C      -5.339628     10.312516      2.160312
  O      -4.286210     10.380519      1.539151
  C      -5.567273      9.200672      3.144314
  C      -6.707079      9.130648      3.961291
  C      -6.854706      8.088169      4.872169
  C      -5.861080      7.120941      4.959866
  F      -6.053805      6.124003      5.859132
  C      -4.706471      7.138939      4.155480
  C      -3.600297      6.128376      4.164980
  O      -2.753920      6.149588      3.277355
  C      -3.546888      5.093676      5.292954
  C      -4.596486      8.205974      3.254599
  C      -8.104833     -5.334494      4.588414
  C      -7.045865     -4.372911      5.074638
  O      -6.006132     -4.774594      5.584681
  C      -7.277227     -2.904328      4.890685
  C      -8.340587     -2.391537      4.127430
  C      -8.483197     -1.020069      3.948066
  C      -7.557671     -0.164535      4.537157
  F      -7.727030      1.163011      4.343846
  C      -6.486916     -0.629348      5.323308
  C      -5.429055      0.215854      5.960143
  O      -4.688601     -0.278694      6.803225
  C      -5.231270      1.672108      5.513052
  C      -6.381279     -2.016462      5.478904
  H      -4.390015     -7.251376      3.272649
  H      -5.637934     -6.075363      2.743475
  H      -4.293702     -6.462776      1.667984
  H      -5.524143     -4.234747      1.419323
  H      -5.918772     -1.838822      0.848238
  H      -1.084941     -1.372215      4.821303
  H      -2.474657     -1.264047      5.910248
  H      -2.599994     -3.079511      4.326063
  H      -6.530875     11.941905      2.891868
  H      -7.403658     10.874707      1.781056
  H      -6.159214     12.004578      1.146510
  H      -7.484390      9.890529      3.895320
  H      -7.728724      8.010157      5.517334
  H      -3.668826      5.624484      6.257869
  H      -4.437291      4.457108      5.175273
  H      -3.714166      8.256146      2.616035
  H      -9.111310     -5.048224      4.920277
  H      -7.862475     -6.343967      4.934102
  H      -8.116155     -5.334542      3.486106
  H      -9.057762     -3.061478      3.655180
  H      -9.298042     -0.600038      3.360094
  H      -6.106574      2.244840      5.877363
  H      -5.301841      1.706749      4.414518
  H      -5.556779     -2.409680      6.074348
  N      -0.782049      2.759460      3.819182
  N      -0.660012      3.762322      3.044927
  H      -1.330347      4.553113      3.090551
  H       0.098738      3.780396      2.360099
90
Coordinates from ORCA-job orca E -6562.082402874072
  N      -1.411373      0.545122      5.680238
  Mo     -2.213126      2.257166      5.013665
  N      -4.005317      2.233169      5.959692
  C      -3.960192      2.683089      7.347857
  C      -2.623378      2.274608      7.953277
  N      -1.483351      2.698874      7.064675
  C      -0.278333      1.859327      7.315153
  C      -0.576813      0.438230      6.850931
  C      -1.181677      4.164928      7.265383
  C      -1.211086      4.850522      5.902513
  N      -2.370168      4.295181      5.200459
  H       0.375077     -0.080580      6.629584
  H      -1.075061     -0.148833      7.647785
  H       0.536127      2.294034      6.722395
  H      -0.006503      1.895552      8.382759
  H      -1.280546      5.943940      6.018024
  H      -0.283977      4.633501      5.354818
  H      -1.965804      4.576892      7.914116
  H      -0.217991      4.278713      7.784127
  H      -4.752152      2.201595      7.944317
  H      -4.125730      3.772621      7.439526
  H      -2.604243      1.183413      8.023191
  H      -2.469419      2.700927      8.958460
  C      -4.529404     -6.333216      2.699716
  C      -3.702821     -5.228731      3.304758
  O      -2.807101     -5.460425      4.105790
  C      -3.999085     -3.809865      2.902786
  C      -4.947438     -3.473325      1.925908
  C      -5.193907     -2.140178      1.605494
  C      -4.493158     -1.142340      2.267004
  F      -4.788113      0.130995      1.952530
  C      -3.523510     -1.429946      3.255836
  C      -2.818208     -0.396912      3.991469
  O      -2.970630      0.830758      3.718764
  C      -1.901229     -0.697972      5.143609
  C      -3.302116     -2.789097      3.547104
  C      -6.389237     11.363003      1.960739
  C      -5.308534     10.326518      2.151634
  O      -4.255499     10.383158      1.528587
  C      -5.542183      9.222940      3.143433
  C      -6.672974      9.175169      3.974826
  C      -6.826173      8.140293      4.893176
  C      -5.847598      7.156758      4.972721
  F      -6.046346      6.165907      5.877456
  C      -4.702580      7.153262      4.155727
  C      -3.610677      6.127925      4.159387
  O      -2.772281      6.132916      3.263642
  C      -3.557797      5.099842      5.293389
  C      -4.585437      8.214302      3.247962
  C      -8.084394     -5.355040      4.600033
  C      -7.021304     -4.386843      5.065017
  O      -5.968459     -4.783562      5.551604
  C      -7.266262     -2.919610      4.891279
  C      -8.341378     -2.411056      4.142086
  C      -8.496700     -1.039619      3.972581
  C      -7.572923     -0.179856      4.558062
  F      -7.755725      1.147220      4.373416
  C      -6.491209     -0.640514      5.331206
  C      -5.435805      0.208792      5.968604
  O      -4.688178     -0.284123      6.805797
  C      -5.252241      1.668088      5.525481
  C      -6.372046     -2.027728      5.477072
  H      -4.316210     -7.272658      3.217628
  H      -5.603808     -6.110635      2.755929
  H      -4.284937     -6.440996      1.631696
  H      -5.511677     -4.252017      1.414785
  H      -5.934528     -1.857566      0.858724
  H      -1.072451     -1.348994      4.790610
  H      -2.452613     -1.293407      5.895997
  H      -2.582622     -3.081645      4.311099
  H      -6.453910     11.992998      2.862220
  H      -7.377588     10.908568      1.810069
  H      -6.132442     11.997590      1.107116
  H      -7.438462      9.947589      3.914932
  H      -7.693280      8.080394      5.549549
  H      -3.669207      5.636809      6.256060
  H      -4.452343      4.466744      5.185763
  H      -3.709365      8.248422      2.599867
  H      -9.090111     -5.062823      4.928315
  H      -7.842150     -6.359478      4.960374
  H      -8.096689     -5.373865      3.497661
  H      -9.056901     -3.084578      3.672323
  H      -9.321513     -0.623104      3.396000
  H      -6.128571      2.235616      5.895180
  H      -5.332009      1.701869      4.427516
  H      -5.539029     -2.417412      6.062842
  N      -0.818592      2.752494      3.804974
  N      -0.707523      3.756835      3.030996
  H      -1.378520      4.547416      3.089555
  H       0.044980      3.781282      2.339304
90
Coordinates from ORCA-job orca E -6562.082726979308
  N      -1.425630      0.542287      5.692783
  Mo     -2.227657      2.249708      5.021081
  N      -4.016708      2.237868      5.972795
  C      -3.965537      2.692978      7.358580
  C      -2.627240      2.286986      7.962601
  N      -1.489444      2.701517      7.067325
  C      -0.285231      1.859764      7.317478
  C      -0.589199      0.437750      6.862149
  C      -1.181679      4.168548      7.253139
  C      -1.207069      4.839858      5.883907
  N      -2.376300      4.290104      5.192019
  H       0.360538     -0.085018      6.640551
  H      -1.088453     -0.145077      7.661580
  H       0.527672      2.288164      6.717944
  H      -0.008281      1.902385      8.383567
  H      -1.264620      5.935159      5.989267
  H      -0.283923      4.607830      5.335741
  H      -1.965618      4.588493      7.897126
  H      -0.217966      4.283239      7.771922
  H      -4.756644      2.212604      7.957357
  H      -4.129983      3.783080      7.449310
  H      -2.609852      1.196001      8.040258
  H      -2.469078      2.720205      8.964052
  C      -4.488458     -6.354567      2.709730
  C      -3.673460     -5.243658      3.318525
  O      -2.777976     -5.467307      4.122328
  C      -3.983233     -3.827242      2.917785
  C      -4.939251     -3.500468      1.944828
  C      -5.199608     -2.169726      1.624751
  C      -4.505110     -1.165038      2.281488
  F      -4.808602      0.105967      1.965873
  C      -3.528516     -1.442806      3.267446
  C      -2.827879     -0.404579      4.000305
  O      -2.993234      0.822540      3.729259
  C      -1.897214     -0.701380      5.141124
  C      -3.293630     -2.799905      3.559171
  C      -6.394210     11.361696      1.951284
  C      -5.313252     10.325480      2.142082
  O      -4.266283     10.374921      1.508038
  C      -5.536592      9.232964      3.148513
  C      -6.653625      9.200356      3.999490
  C      -6.799848      8.175181      4.929299
  C      -5.827776      7.183937      4.999858
  F      -6.020239      6.199558      5.912731
  C      -4.695872      7.167056      4.166192
  C      -3.609140      6.137185      4.164265
  O      -2.773153      6.138972      3.265960
  C      -3.556250      5.104647      5.295459
  C      -4.584191      8.219720      3.246893
  C      -8.084876     -5.346450      4.557342
  C      -7.023081     -4.379421      5.028811
  O      -5.969042     -4.779806      5.510125
  C      -7.268853     -2.911492      4.866326
  C      -8.344957     -2.397988      4.122325
  C      -8.502527     -1.025235      3.965525
  C      -7.580215     -0.169132      4.558507
  F      -7.766936      1.159223      4.386084
  C      -6.497372     -0.634785      5.326098
  C      -5.443176      0.210535      5.974993
  O      -4.694239     -0.288781      6.806238
  C      -5.265246      1.673423      5.542501
  C      -6.375203     -2.023221      5.460327
  H      -4.230584     -7.301811      3.191992
  H      -5.565721     -6.163854      2.811987
  H      -4.280329     -6.425551      1.630767
  H      -5.496687     -4.284824      1.434897
  H      -5.944903     -1.894751      0.879530
  H      -1.058239     -1.328406      4.767441
  H      -2.424462     -1.321077      5.891547
  H      -2.568008     -3.084957      4.320360
  H      -6.423037     12.019563      2.834937
  H      -7.390856     10.913201      1.846018
  H      -6.159019     11.969364      1.072008
  H      -7.414013      9.978576      3.946470
  H      -7.656303      8.128296      5.600697
  H      -3.654859      5.641838      6.259382
  H      -4.455909      4.477142      5.196145
  H      -3.717364      8.243202      2.586063
  H      -9.093195     -5.050186      4.874023
  H      -7.850571     -6.350448      4.924447
  H      -8.085323     -5.370758      3.454859
  H      -9.059685     -3.068893      3.647283
  H      -9.329423     -0.605109      3.394315
  H      -6.138426      2.240258      5.920713
  H      -5.354686      1.711528      4.445455
  H      -5.541427     -2.416566      6.042481
  N      -0.846738      2.733331      3.791579
  N      -0.751180      3.728085      3.001400
  H      -1.415547      4.524242      3.072418
  H      -0.011049      3.749090      2.296088
90
Coordinates from ORCA-job orca E -6562.083087287760
  N      -1.448331      0.542379      5.702517
  Mo     -2.255831      2.245758      5.039144
  N      -4.039321      2.242103      6.001193
  C      -3.975339      2.699598      7.385907
  C      -2.633931      2.289818      7.982143
  N      -1.500587      2.699653      7.080356
  C      -0.296362      1.855296      7.321640
  C      -0.605560      0.434212      6.867688
  C      -1.187912      4.166669      7.257112
  C      -1.212723      4.827037      5.883663
  N      -2.394721      4.286570      5.205409
  H       0.341776     -0.089895      6.639518
  H      -1.102481     -0.149635      7.667740
  H       0.512919      2.281690      6.715655
  H      -0.010535      1.897458      8.385492
  H      -1.256270      5.924058      5.981533
  H      -0.296305      4.580365      5.330642
  H      -1.972570      4.591660      7.897149
  H      -0.224812      4.281363      7.777260
  H      -4.765868      2.224322      7.989430
  H      -4.131552      3.791355      7.476830
  H      -2.619467      1.198452      8.058567
  H      -2.468520      2.722141      8.982788
  C      -4.429405     -6.369745      2.686244
  C      -3.622930     -5.249521      3.289696
  O      -2.708087     -5.464366      4.074195
  C      -3.964472     -3.834882      2.908615
  C      -4.940518     -3.516392      1.952815
  C      -5.226921     -2.187247      1.647312
  C      -4.538657     -1.176700      2.300645
  F      -4.863072      0.092247      1.998156
  C      -3.544563     -1.446220      3.272386
  C      -2.850593     -0.403942      4.006180
  O      -3.036926      0.823086      3.745449
  C      -1.899499     -0.699718      5.129458
  C      -3.283859     -2.801721      3.549813
  C      -6.367624     11.352507      1.902587
  C      -5.299563     10.303368      2.094350
  O      -4.266387     10.321016      1.436224
  C      -5.516235      9.238170      3.131328
  C      -6.612685      9.244864      4.009431
  C      -6.757614      8.242751      4.963737
  C      -5.803658      7.233225      5.031493
  F      -5.994800      6.268929      5.965096
  C      -4.691014      7.179591      4.174292
  C      -3.621292      6.133453      4.172931
  O      -2.796596      6.109209      3.263985
  C      -3.564670      5.113162      5.317264
  C      -4.579597      8.210584      3.229600
  C      -8.065924     -5.349756      4.515888
  C      -7.007101     -4.381315      4.991519
  O      -5.948898     -4.782644      5.463482
  C      -7.262434     -2.913277      4.851260
  C      -8.346117     -2.396406      4.120983
  C      -8.514100     -1.022697      3.985565
  C      -7.595052     -0.168899      4.586882
  F      -7.793703      1.160470      4.436347
  C      -6.504739     -0.637895      5.340405
  C      -5.451742      0.206195      5.998135
  O      -4.694003     -0.299162      6.816439
  C      -5.290190      1.675421      5.581629
  C      -6.371146     -2.027369      5.453937
  H      -4.111495     -7.322160      3.120361
  H      -5.504774     -6.221021      2.856520
  H      -4.279076     -6.399706      1.595862
  H      -5.490815     -4.305379      1.442257
  H      -5.986128     -1.919036      0.913594
  H      -1.050753     -1.297178      4.728934
  H      -2.396064     -1.349154      5.875627
  H      -2.541615     -3.080947      4.297078
  H      -6.343267     12.047272      2.758013
  H      -7.377437     10.924400      1.857301
  H      -6.156134     11.918928      0.990198
  H      -7.358494     10.037415      3.958649
  H      -7.598814      8.227296      5.655649
  H      -3.642020      5.664162      6.275215
  H      -4.471446      4.492622      5.240882
  H      -3.727184      8.204904      2.550033
  H      -9.073976     -5.059076      4.839336
  H      -7.828384     -6.355198      4.877118
  H      -8.071170     -5.368362      3.413383
  H      -9.059028     -3.065536      3.640472
  H      -9.347826     -0.600433      3.425797
  H      -6.159893      2.235272      5.977856
  H      -5.397119      1.722896      4.486501
  H      -5.531280     -2.423559      6.025215
  N      -0.899849      2.723989      3.777266
  N      -0.821460      3.722486      2.989923
  H      -1.481166      4.521145      3.086443
  H      -0.100414      3.748482      2.265100
90
Coordinates from ORCA-job orca E -6562.083370951651
  N      -1.445218      0.541822      5.709011
  Mo     -2.257500      2.237606      5.045294
  N      -4.034564      2.243744      6.016738
  C      -3.963167      2.703771      7.399749
  C      -2.618291      2.297278      7.990066
  N      -1.489951      2.702958      7.080848
  C      -0.284102      1.859442      7.317185
  C      -0.593340      0.436820      6.868543
  C      -1.176451      4.171198      7.244601
  C      -1.199312      4.816701      5.864556
  N      -2.389123      4.279951      5.196523
  H       0.353093     -0.085964      6.634394
  H      -1.083659     -0.146738      7.672793
  H       0.521497      2.284895      6.705424
  H       0.008967      1.904023      8.379043
  H      -1.232164      5.915313      5.950935
  H      -0.287927      4.556345      5.309461
  H      -1.964152      4.601947      7.877294
  H      -0.215992      4.290284      7.768722
  H      -4.751421      2.230237      8.007439
  H      -4.117746      3.796497      7.488179
  H      -2.601604      1.205900      8.070865
  H      -2.448445      2.733366      8.988287
  C      -4.382398     -6.400451      2.735796
  C      -3.590678     -5.267584      3.335429
  O      -2.672504     -5.467293      4.120357
  C      -3.950557     -3.858403      2.950297
  C      -4.935082     -3.554238      1.998256
  C      -5.233860     -2.229043      1.685977
  C      -4.548848     -1.208973      2.327450
  F      -4.880150      0.055972      2.015332
  C      -3.547989     -1.464469      3.296758
  C      -2.856229     -0.414097      4.021405
  O      -3.053684      0.810767      3.757919
  C      -1.893622     -0.702688      5.136382
  C      -3.275848     -2.815937      3.581774
  C      -6.402973     11.335539      1.907449
  C      -5.335008     10.283929      2.084820
  O      -4.316829     10.291349      1.403302
  C      -5.531166      9.228952      3.136584
  C      -6.612047      9.243087      4.033809
  C      -6.741867      8.249359      4.998687
  C      -5.787241      7.239705      5.058144
  F      -5.962675      6.281881      6.000956
  C      -4.688243      7.180533      4.183947
  C      -3.617044      6.136609      4.177571
  O      -2.795272      6.114112      3.265750
  C      -3.554337      5.111179      5.319092
  C      -4.591746      8.203076      3.227836
  C      -8.089251     -5.307396      4.410076
  C      -7.037345     -4.351907      4.924995
  O      -5.990620     -4.767346      5.410889
  C      -7.283332     -2.880534      4.806161
  C      -8.360263     -2.347766      4.077307
  C      -8.521508     -0.971587      3.961415
  C      -7.601563     -0.131154      4.579881
  F      -7.794939      1.201223      4.449174
  C      -6.516536     -0.615730      5.330174
  C      -5.458848      0.215902      6.000287
  O      -4.703370     -0.302702      6.811630
  C      -5.290784      1.688071      5.597265
  C      -6.390079     -2.007538      5.426316
  H      -4.015797     -7.351261      3.133888
  H      -5.452542     -6.289792      2.960981
  H      -4.279432     -6.402457      1.639673
  H      -5.480758     -4.350944      1.494374
  H      -5.998533     -1.971856      0.953817
  H      -1.044133     -1.293506      4.727729
  H      -2.377530     -1.356642      5.887320
  H      -2.526035     -3.084984      4.325399
  H      -6.354107     12.040392      2.753674
  H      -7.415479     10.911473      1.891915
  H      -6.212141     11.890478      0.983374
  H      -7.358288     10.035878      3.989846
  H      -7.571235      8.240285      5.705034
  H      -3.620409      5.662392      6.277791
  H      -4.464469      4.494607      5.252160
  H      -3.750052      8.192010      2.535106
  H      -9.100326     -5.025030      4.732788
  H      -7.857005     -6.321774      4.749477
  H      -8.085107     -5.297566      3.307590
  H      -9.074558     -3.006454      3.584212
  H      -9.350598     -0.537124      3.403850
  H      -6.154317      2.251345      6.002365
  H      -5.402426      1.745203      4.503214
  H      -5.554237     -2.415973      5.994894
  N      -0.913885      2.703279      3.765788
  N      -0.850968      3.692520      2.962746
  H      -1.503512      4.496269      3.069218
  H      -0.142985      3.712755      2.224892
90
Coordinates from ORCA-job orca E -6562.083807116787
  N      -1.449953      0.549571      5.704759
  Mo     -2.276442      2.241405      5.072527
  N      -4.043182      2.248316      6.057003
  C      -3.955876      2.701049      7.442251
  C      -2.608713      2.280854      8.018203
  N      -1.485219      2.693185      7.105858
  C      -0.278198      1.847194      7.322183
  C      -0.586334      0.429960      6.856021
  C      -1.169068      4.160010      7.274237
  C      -1.193815      4.804593      5.894575
  N      -2.392254      4.280376      5.236075
  H       0.358831     -0.087355      6.606748
  H      -1.068674     -0.165752      7.656138
  H       0.523478      2.282422      6.711575
  H       0.024463      1.874989      8.382058
  H      -1.213152      5.904174      5.979658
  H      -0.290963      4.534023      5.329701
  H      -1.959142      4.590810      7.904499
  H      -0.211595      4.276093      7.804362
  H      -4.746104      2.237957      8.054456
  H      -4.092226      3.796976      7.530389
  H      -2.595131      1.187774      8.083320
  H      -2.429840      2.702104      9.021290
  C      -4.325593     -6.400275      2.717705
  C      -3.540513     -5.252871      3.299903
  O      -2.595447     -5.438267      4.056428
  C      -3.936496     -3.848013      2.933953
  C      -4.940246     -3.551629      1.999076
  C      -5.262503     -2.228039      1.701195
  C      -4.582784     -1.203063      2.340346
  F      -4.932909      0.060031      2.039965
  C      -3.565812     -1.451578      3.295310
  C      -2.878789     -0.399470      4.022596
  O      -3.097291      0.825729      3.777887
  C      -1.898388     -0.692792      5.121028
  C      -3.269716     -2.800528      3.564598
  C      -6.396618     11.295324      1.844618
  C      -5.347895     10.223202      2.011344
  O      -4.355421     10.186905      1.293470
  C      -5.529653      9.200081      3.097496
  C      -6.591086      9.249421      4.016296
  C      -6.713910      8.282807      5.008996
  C      -5.768714      7.264781      5.076666
  F      -5.935458      6.331214      6.043865
  C      -4.686706      7.172965      4.183299
  C      -3.626037      6.120075      4.189947
  O      -2.819067      6.064739      3.265624
  C      -3.550592      5.118842      5.356261
  C      -4.598188      8.167122      3.196548
  C      -8.090792     -5.285629      4.340629
  C      -7.047291     -4.342309      4.891595
  O      -6.011176     -4.769627      5.391022
  C      -7.290333     -2.868177      4.798353
  C      -8.369786     -2.323825      4.081457
  C      -8.533187     -0.946251      3.988706
  C      -7.611581     -0.115692      4.617873
  F      -7.808888      1.218714      4.514547
  C      -6.522674     -0.610712      5.353702
  C      -5.461749      0.216465      6.028572
  O      -4.695617     -0.311656      6.823125
  C      -5.303191      1.694581      5.643412
  C      -6.393482     -2.004086      5.428329
  H      -3.927239     -7.343957      3.103079
  H      -5.389206     -6.310803      2.980334
  H      -4.251595     -6.401621      1.619395
  H      -5.480590     -4.352204      1.494781
  H      -6.040367     -1.977076      0.980602
  H      -1.050560     -1.276375      4.700599
  H      -2.370942     -1.354754      5.873210
  H      -2.502358     -3.065562      4.291954
  H      -6.325766     12.005556      2.684662
  H      -7.416030     10.886345      1.845668
  H      -6.211697     11.838797      0.912392
  H      -7.329444     10.049604      3.967169
  H      -7.529864      8.300547      5.730992
  H      -3.597862      5.693992      6.301566
  H      -4.466407      4.507466      5.319382
  H      -3.770465      8.128628      2.488093
  H      -9.097144     -5.036599      4.706093
  H      -7.838295     -6.312155      4.625137
  H      -8.118479     -5.216775      3.241147
  H      -9.088351     -2.974287      3.583016
  H      -9.364946     -0.502816      3.441850
  H      -6.162320      2.249401      6.069639
  H      -5.427089      1.769789      4.552069
  H      -5.555191     -2.421316      5.987017
  N      -0.956607      2.706598      3.765982
  N      -0.910882      3.700930      2.964956
  H      -1.553914      4.509773      3.099774
  H      -0.219473      3.724966      2.211527
90
Coordinates from ORCA-job orca E -6562.084110252274
  N      -1.418210      0.554773      5.693304
  Mo     -2.258981      2.235457      5.064119
  N      -4.020217      2.244364      6.049701
  C      -3.931708      2.694228      7.436190
  C      -2.580384      2.280812      8.008175
  N      -1.460416      2.699054      7.092474
  C      -0.247645      1.861930      7.306378
  C      -0.545075      0.442466      6.839120
  C      -1.151462      4.167736      7.255860
  C      -1.171638      4.803405      5.872586
  N      -2.367403      4.276737      5.214525
  H       0.402612     -0.066838      6.584027
  H      -1.017183     -0.157259      7.642486
  H       0.550612      2.305100      6.696646
  H       0.056966      1.888475      8.365753
  H      -1.187901      5.903708      5.948412
  H      -0.270139      4.525763      5.308136
  H      -1.948609      4.600252      7.876418
  H      -0.200234      4.290807      7.795366
  H      -4.718225      2.228025      8.050585
  H      -4.073046      3.790156      7.522378
  H      -2.559687      1.187560      8.074648
  H      -2.401309      2.703103      9.010811
  C      -4.285594     -6.436794      2.823008
  C      -3.514011     -5.275840      3.396063
  O      -2.572721     -5.442166      4.161990
  C      -3.918335     -3.879618      3.006300
  C      -4.924464     -3.601669      2.067907
  C      -5.249539     -2.284062      1.747271
  C      -4.569897     -1.246519      2.367028
  F      -4.921267      0.010791      2.043538
  C      -3.552225     -1.476625      3.325146
  C      -2.864293     -0.413070      4.035101
  O      -3.089823      0.809464      3.784240
  C      -1.876702     -0.695135      5.130672
  C      -3.253870     -2.819790      3.617743
  C      -6.454168     11.290265      1.902038
  C      -5.398338     10.221751      2.044741
  O      -4.414769     10.195307      1.314178
  C      -5.565737      9.184242      3.119894
  C      -6.628020      9.208088      4.038671
  C      -6.736985      8.228782      5.020742
  C      -5.776653      7.225169      5.079123
  F      -5.928465      6.281085      6.038845
  C      -4.693083      7.157983      4.184362
  C      -3.618566      6.118108      4.181427
  O      -2.813480      6.080302      3.254961
  C      -3.530129      5.108151      5.339578
  C      -4.619562      8.162837      3.207888
  C      -8.165380     -5.213758      4.217780
  C      -7.126346     -4.300174      4.822759
  O      -6.116872     -4.754119      5.352835
  C      -7.341188     -2.820020      4.745895
  C      -8.407536     -2.249960      4.028538
  C      -8.548166     -0.869101      3.949316
  C      -7.615110     -0.061058      4.590503
  F      -7.790077      1.277735      4.500974
  C      -6.536701     -0.580991      5.324466
  C      -5.461702      0.226251      6.000067
  O      -4.697718     -0.318823      6.785959
  C      -5.285507      1.706106      5.628514
  C      -6.431831     -1.977216      5.387757
  H      -3.864894     -7.372604      3.204238
  H      -5.343791     -6.364511      3.113252
  H      -4.234584     -6.438508      1.723593
  H      -5.464890     -4.412704      1.579601
  H      -6.029309     -2.047280      1.023761
  H      -1.035367     -1.293843      4.720907
  H      -2.355107     -1.337063      5.897267
  H      -2.484856     -3.072079      4.348176
  H      -6.418286     11.964848      2.772819
  H      -7.466529     10.864327      1.860179
  H      -6.257191     11.873149      0.996453
  H      -7.378877      9.997199      3.997435
  H      -7.553839      8.225928      5.742252
  H      -3.579137      5.678248      6.287999
  H      -4.443985      4.494040      5.302564
  H      -3.791750      8.142408      2.498503
  H      -9.171529     -4.984858      4.598644
  H      -7.912804     -6.252864      4.452717
  H      -8.197141     -5.086901      3.123857
  H      -9.135876     -2.882754      3.521280
  H      -9.369119     -0.405206      3.402802
  H      -6.140054      2.264622      6.059434
  H      -5.403512      1.795668      4.537842
  H      -5.602443     -2.413823      5.945210
  N      -0.942479      2.692435      3.747113
  N      -0.882665      3.683791      2.943429
  H      -1.518828      4.499384      3.072844
  H      -0.184817      3.698558      2.195627
90
Coordinates from ORCA-job orca E -6562.084343534427
  N      -1.391604      0.564777      5.674219
  Mo     -2.253239      2.241721      5.061326
  N      -4.011691      2.239381      6.046979
  C      -3.924107      2.677926      7.436903
  C      -2.572455      2.262219      8.005090
  N      -1.454040      2.695008      7.092276
  C      -0.234668      1.866624      7.301670
  C      -0.518007      0.449868      6.819387
  C      -1.154020      4.163755      7.271075
  C      -1.176045      4.812501      5.893766
  N      -2.362464      4.282390      5.225854
  H       0.433907     -0.049519      6.560894
  H      -0.985653     -0.160533      7.617567
  H       0.561684      2.323834      6.699664
  H       0.066334      1.884150      8.362180
  H      -1.200408      5.911871      5.977581
  H      -0.271887      4.544046      5.327812
  H      -1.953471      4.588362      7.894374
  H      -0.204323      4.287090      7.812923
  H      -4.708580      2.206324      8.049881
  H      -4.068639      3.772976      7.528730
  H      -2.548143      1.168466      8.062744
  H      -2.394587      2.676368      9.011356
  C      -4.294307     -6.431959      2.848712
  C      -3.510496     -5.272672      3.407901
  O      -2.566377     -5.439193      4.170371
  C      -3.908506     -3.877167      3.008769
  C      -4.911432     -3.599005      2.066503
  C      -5.230461     -2.282194      1.738998
  C      -4.550275     -1.244017      2.358565
  F      -4.897891      0.013275      2.029788
  C      -3.536437     -1.473633      3.319506
  C      -2.848104     -0.408863      4.027701
  O      -3.077137      0.813526      3.783115
  C      -1.858047     -0.688492      5.121920
  C      -3.241722     -2.816640      3.616970
  C      -6.440735     11.295908      1.913580
  C      -5.389683     10.221706      2.048820
  O      -4.407101     10.191909      1.317179
  C      -5.566918      9.176982      3.115419
  C      -6.636239      9.195688      4.026167
  C      -6.751217      8.209863      5.001588
  C      -5.790788      7.207491      5.062668
  F      -5.947902      6.260748      6.019930
  C      -4.702134      7.142700      4.173227
  C      -3.630889      6.098137      4.169332
  O      -2.838294      6.048237      3.233005
  C      -3.533590      5.103321      5.337828
  C      -4.623276      8.152476      3.203397
  C      -8.192413     -5.204772      4.212456
  C      -7.153610     -4.300439      4.830215
  O      -6.152941     -4.759921      5.372001
  C      -7.359317     -2.818113      4.752122
  C      -8.425372     -2.242706      4.037888
  C      -8.558555     -0.861039      3.957529
  C      -7.617632     -0.057728      4.592739
  F      -7.786125      1.281933      4.502264
  C      -6.538321     -0.582581      5.322886
  C      -5.456079      0.220355      5.986791
  O      -4.686291     -0.328600      6.765871
  C      -5.275688      1.701172      5.620212
  C      -6.442345     -1.979277      5.388046
  H      -3.893005     -7.366138      3.254593
  H      -5.354318     -6.338118      3.127245
  H      -4.233387     -6.455142      1.750079
  H      -5.454215     -4.410693      1.581398
  H      -6.007388     -2.045505      1.012284
  H      -1.021529     -1.298816      4.721777
  H      -2.347059     -1.315583      5.894996
  H      -2.475250     -3.069604      4.350014
  H      -6.444446     11.936114      2.810322
  H      -7.448155     10.865065      1.818623
  H      -6.215700     11.911570      1.036731
  H      -7.388075      9.983818      3.982722
  H      -7.574052      8.201349      5.716461
  H      -3.593115      5.680467      6.281300
  H      -4.442965      4.481782      5.300760
  H      -3.792244      8.133951      2.497388
  H      -9.194404     -4.994190      4.615078
  H      -7.927515     -6.247469      4.416212
  H      -8.243413     -5.046550      3.123555
  H      -9.160308     -2.871640      3.535284
  H      -9.378665     -0.392296      3.413696
  H      -6.133103      2.254965      6.051849
  H      -5.387216      1.798754      4.529740
  H      -5.613252     -2.419578      5.943363
  N      -0.937556      2.715957      3.747971
  N      -0.902927      3.713222      2.947038
  H      -1.546870      4.521363      3.091174
  H      -0.206882      3.742249      2.197833
90
Coordinates from ORCA-job orca E -6562.084456391988
  N      -1.369334      0.571849      5.659494
  Mo     -2.247418      2.244366      5.046439
  N      -4.006271      2.225383      6.028749
  C      -3.923397      2.661758      7.419944
  C      -2.567862      2.258267      7.988851
  N      -1.451866      2.700861      7.076368
  C      -0.224970      1.883996      7.288171
  C      -0.496566      0.465519      6.805396
  C      -1.162664      4.171250      7.260103
  C      -1.185345      4.824551      5.885467
  N      -2.364471      4.286590      5.212242
  H       0.459654     -0.026594      6.548356
  H      -0.960721     -0.148156      7.603302
  H       0.568235      2.348705      6.687831
  H       0.072828      1.904724      8.349416
  H      -1.219165      5.923225      5.971700
  H      -0.277222      4.563116      5.321849
  H      -1.964725      4.589732      7.884159
  H      -0.213514      4.299649      7.801844
  H      -4.701326      2.177534      8.032059
  H      -4.083579      3.754143      7.516254
  H      -2.534932      1.164932      8.048588
  H      -2.393577      2.675369      8.994440
  C      -4.296981     -6.440363      2.898098
  C      -3.507154     -5.282384      3.449626
  O      -2.569010     -5.446921      4.219789
  C      -3.896288     -3.888926      3.034772
  C      -4.895645     -3.615960      2.086857
  C      -5.209901     -2.302002      1.746453
  C      -4.529553     -1.259819      2.359745
  F      -4.872944     -0.004602      2.019216
  C      -3.519397     -1.483379      3.325275
  C      -2.830692     -0.413853      4.025940
  O      -3.060155      0.807270      3.775569
  C      -1.840743     -0.685295      5.121702
  C      -3.228291     -2.824700      3.635402
  C      -6.420758     11.332420      1.960363
  C      -5.374597     10.252059      2.085812
  O      -4.386776     10.229239      1.361269
  C      -5.566126      9.191300      3.133764
  C      -6.645826      9.197458      4.032678
  C      -6.770998      8.196427      4.991537
  C      -5.811559      7.193218      5.048764
  F      -5.980990      6.232875      5.991503
  C      -4.714749      7.138782      4.169337
  C      -3.644879      6.091496      4.156629
  O      -2.857973      6.043745      3.215835
  C      -3.543207      5.097675      5.322717
  C      -4.626185      8.162792      3.215931
  C      -8.225720     -5.205133      4.206621
  C      -7.182820     -4.306362      4.825704
  O      -6.186235     -4.770057      5.371113
  C      -7.379502     -2.822497      4.743276
  C      -8.445650     -2.241756      4.033231
  C      -8.570478     -0.859212      3.951481
  C      -7.621211     -0.060490      4.579565
  F      -7.781770      1.280020      4.485154
  C      -6.541602     -0.590614      5.306340
  C      -5.453069      0.206112      5.963110
  O      -4.680486     -0.346161      6.738071
  C      -5.268386      1.686640      5.597740
  C      -6.454991     -1.987853      5.373589
  H      -3.896492     -7.374744      3.304314
  H      -5.355249     -6.342915      3.183828
  H      -4.247365     -6.464078      1.798957
  H      -5.439506     -4.430973      1.608710
  H      -5.983451     -2.069259      1.014792
  H      -1.006956     -1.304404      4.730110
  H      -2.336637     -1.298841      5.901805
  H      -2.465784     -3.073397      4.374062
  H      -6.457678     11.937580      2.880062
  H      -7.423269     10.902766      1.816752
  H      -6.169839     11.979580      1.113780
  H      -7.397311      9.985982      3.991838
  H      -7.602116      8.177065      5.696595
  H      -3.612300      5.670343      6.268170
  H      -4.447651      4.468642      5.278221
  H      -3.788831      8.152997      2.517067
  H      -9.224466     -4.998677      4.619223
  H      -7.958279     -6.249756      4.397053
  H      -8.285942     -5.034755      3.120124
  H      -9.186616     -2.867004      3.535082
  H      -9.390558     -0.386146      3.411326
  H      -6.128393      2.240186      6.024592
  H      -5.374725      1.783699      4.506515
  H      -5.626640     -2.431783      5.927223
  N      -0.934196      2.729858      3.731905
  N      -0.886197      3.728227      2.934986
  H      -1.529759      4.538144      3.072893
  H      -0.180054      3.755036      2.195131
90
Coordinates from ORCA-job orca E -6562.084516334613
  N      -1.346445      0.574869      5.649891
  Mo     -2.240167      2.241002      5.031539
  N      -3.995824      2.211116      6.018305
  C      -3.915375      2.648775      7.408350
  C      -2.555423      2.259152      7.975306
  N      -1.445250      2.707857      7.058770
  C      -0.210627      1.901843      7.271555
  C      -0.472086      0.480036      6.794852
  C      -1.167107      4.180675      7.240175
  C      -1.192427      4.831740      5.864683
  N      -2.367508      4.284854      5.190928
  H       0.487684     -0.005671      6.538288
  H      -0.930634     -0.134461      7.595452
  H       0.577567      2.370612      6.667870
  H       0.087711      1.930365      8.332392
  H      -1.234564      5.930171      5.949573
  H      -0.281250      4.575412      5.303632
  H      -1.971539      4.594165      7.864379
  H      -0.217707      4.316881      7.779804
  H      -4.686264      2.153559      8.021138
  H      -4.089665      3.738783      7.507527
  H      -2.512951      1.166398      8.039785
  H      -2.382423      2.681854      8.978656
  C      -4.282863     -6.463021      2.966124
  C      -3.497226     -5.300642      3.513003
  O      -2.566949     -5.457259      4.294260
  C      -3.881753     -3.911373      3.079734
  C      -4.879744     -3.648384      2.127207
  C      -5.192087     -2.338523      1.770761
  C      -4.510898     -1.289774      2.371818
  F      -4.851725     -0.038063      2.016264
  C      -3.502324     -1.503045      3.341532
  C      -2.813489     -0.426715      4.031224
  O      -3.044522      0.791827      3.770356
  C      -1.822620     -0.686765      5.127745
  C      -3.213323     -2.841003      3.668544
  C      -6.411818     11.366925      2.016215
  C      -5.368892     10.281896      2.129514
  O      -4.377195     10.268701      1.410170
  C      -5.569864      9.203730      3.157700
  C      -6.656485      9.195573      4.048732
  C      -6.788664      8.178617      4.989685
  C      -5.829798      7.174241      5.037348
  F      -6.006619      6.198329      5.963286
  C      -4.727548      7.133123      4.165288
  C      -3.657461      6.086004      4.142229
  O      -2.873057      6.044608      3.199196
  C      -3.551659      5.088495      5.303647
  C      -4.631949      8.172676      3.229295
  C      -8.263564     -5.185788      4.168074
  C      -7.216563     -4.295749      4.793235
  O      -6.225234     -4.767944      5.340794
  C      -7.402230     -2.810217      4.713398
  C      -8.464253     -2.219334      4.005724
  C      -8.578299     -0.835539      3.928688
  C      -7.622792     -0.045698      4.558148
  F      -7.773328      1.296095      4.465455
  C      -6.547168     -0.585921      5.283594
  C      -5.453086      0.199617      5.943722
  O      -4.684326     -0.360192      6.717227
  C      -5.258997      1.679687      5.582442
  C      -6.471672     -1.984222      5.346718
  H      -3.867675     -7.396033      3.360360
  H      -5.337384     -6.377180      3.269940
  H      -4.254006     -6.478414      1.866133
  H      -5.423832     -4.468758      1.658798
  H      -5.963958     -2.113106      1.034957
  H      -0.990939     -1.312386      4.742017
  H      -2.320394     -1.289119      5.915701
  H      -2.453005     -3.081597      4.412186
  H      -6.473017     11.941131      2.954017
  H      -7.409801     10.940664      1.834376
  H      -6.142339     12.040654      1.196496
  H      -7.407276      9.985069      4.015393
  H      -7.624982      8.148076      5.688194
  H      -3.627359      5.655019      6.252122
  H      -4.451804      4.453217      5.253032
  H      -3.789870      8.173939      2.536017
  H      -9.261000     -4.977926      4.583120
  H      -8.000788     -6.233214      4.349422
  H      -8.324066     -5.006050      3.083073
  H      -9.209831     -2.837498      3.505581
  H      -9.395521     -0.354756      3.390963
  H      -6.117978      2.238152      6.005095
  H      -5.361395      1.776473      4.490615
  H      -5.646748     -2.435682      5.899392
  N      -0.931054      2.732593      3.716336
  N      -0.902352      3.727111      2.911732
  H      -1.554715      4.529786      3.051519
  H      -0.200367      3.760203      2.168179
90
Coordinates from ORCA-job orca E -6562.084549352598
  N      -1.341102      0.574615      5.650060
  Mo     -2.238905      2.239846      5.028658
  N      -3.995038      2.204372      6.014248
  C      -3.917722      2.646735      7.402900
  C      -2.557259      2.261910      7.972310
  N      -1.447096      2.710339      7.056027
  C      -0.211072      1.906348      7.271293
  C      -0.470335      0.483304      6.797830
  C      -1.171004      4.183965      7.235431
  C      -1.194915      4.832441      5.858911
  N      -2.369528      4.283407      5.185461
  H       0.490800     -0.001921      6.545071
  H      -0.930543     -0.130237      7.598251
  H       0.576576      2.374608      6.666538
  H       0.086353      1.938795      8.332255
  H      -1.239084      5.930985      5.942758
  H      -0.282033      4.577090      5.300413
  H      -1.976405      4.596459      7.858868
  H      -0.221470      4.321923      7.774584
  H      -4.688248      2.149917      8.014952
  H      -4.095239      3.736442      7.500354
  H      -2.512829      1.169263      8.038805
  H      -2.385484      2.686934      8.974806
  C      -4.281690     -6.467022      2.976160
  C      -3.494941     -5.304213      3.520578
  O      -2.567023     -5.460484      4.304745
  C      -3.875158     -3.915001      3.082935
  C      -4.869962     -3.652816      2.126744
  C      -5.179645     -2.343277      1.766678
  C      -4.499367     -1.294284      2.367695
  F      -4.837192     -0.042712      2.009001
  C      -3.493586     -1.506684      3.341216
  C      -2.806210     -0.429996      4.031606
  O      -3.037837      0.788392      3.768298
  C      -1.817583     -0.687683      5.130095
  C      -3.206960     -2.844445      3.671648
  C      -6.407778     11.376532      2.030088
  C      -5.371831     10.283716      2.132404
  O      -4.388002     10.263635      1.402438
  C      -5.569882      9.206034      3.161696
  C      -6.650952      9.201235      4.059864
  C      -6.781932      8.183983      5.000358
  C      -5.826689      7.175441      5.040694
  F      -6.000268      6.198970      5.966492
  C      -4.730304      7.131455      4.162471
  C      -3.664024      6.081612      4.134586
  O      -2.885607      6.034771      3.186644
  C      -3.554255      5.086339      5.298569
  C      -4.635549      8.171448      3.226217
  C      -8.271192     -5.187032      4.172418
  C      -7.222905     -4.295343      4.793340
  O      -6.230704     -4.766687      5.340150
  C      -7.408473     -2.810153      4.710378
  C      -8.470195     -2.219585      4.002389
  C      -8.582669     -0.835724      3.923170
  C      -7.626333     -0.045445      4.550838
  F      -7.775442      1.296285      4.454813
  C      -6.551633     -0.585514      5.277339
  C      -5.457626      0.198495      5.940919
  O      -4.693129     -0.361768      6.717742
  C      -5.259092      1.677065      5.576621
  C      -6.477282     -1.983874      5.342766
  H      -3.866154     -7.400220      3.369511
  H      -5.336383     -6.380688      3.279148
  H      -4.253522     -6.482870      1.876054
  H      -5.412744     -4.473517      1.657570
  H      -5.948558     -2.118049      1.027666
  H      -0.985209     -1.313949      4.746530
  H      -2.316085     -1.289009      5.918507
  H      -2.449053     -3.084061      4.418090
  H      -6.469185     11.939752      2.974358
  H      -7.407238     10.956980      1.839819
  H      -6.133228     12.057793      1.218331
  H      -7.398491      9.994098      4.032218
  H      -7.613868      8.156459      5.704214
  H      -3.629203      5.654317      6.246105
  H      -4.453101      4.448762      5.250994
  H      -3.797758      8.170487      2.527837
  H      -9.266365     -4.981282      4.594288
  H      -8.006376     -6.234413      4.350578
  H      -8.338994     -5.005700      3.088104
  H      -9.216561     -2.837890      3.503429
  H      -9.400074     -0.355366      3.385282
  H      -6.116625      2.240791      5.995228
  H      -5.360433      1.769716      4.484270
  H      -5.652750     -2.435006      5.896198
  N      -0.930706      2.732457      3.711907
  N      -0.904648      3.728005      2.908733
  H      -1.558558      4.529209      3.052579
  H      -0.203411      3.765313      2.164578
90
Coordinates from ORCA-job orca E -6562.084560482639
  N      -1.336583      0.574615      5.650325
  Mo     -2.238162      2.238588      5.028491
  N      -3.992813      2.199709      6.015900
  C      -3.915934      2.644158      7.403880
  C      -2.553814      2.263502      7.972431
  N      -1.445236      2.712477      7.054683
  C      -0.207938      1.909728      7.269336
  C      -0.466103      0.485602      6.798632
  C      -1.170569      4.186907      7.231470
  C      -1.196923      4.832534      5.853697
  N      -2.372279      4.281731      5.182976
  H       0.495514      0.000614      6.547217
  H      -0.925935     -0.126965      7.600043
  H       0.578085      2.377770      6.662236
  H       0.091351      1.944658      8.329692
  H      -1.241987      5.931289      5.936002
  H      -0.284551      4.577540      5.294388
  H      -1.976032      4.598919      7.855129
  H      -0.220574      4.326638      7.769307
  H      -4.684994      2.145853      8.016463
  H      -4.095795      3.733718      7.500339
  H      -2.506981      1.170937      8.040019
  H      -2.381811      2.689832      8.974288
  C      -4.272598     -6.472421      2.985010
  C      -3.487129     -5.307366      3.526640
  O      -2.558357     -5.461424      4.310410
  C      -3.869215     -3.918894      3.088088
  C      -4.864687     -3.658527      2.132084
  C      -5.175974     -2.349406      1.771348
  C      -4.496693     -1.299372      2.371385
  F      -4.835146     -0.048289      2.011485
  C      -3.490098     -1.510075      3.344825
  C      -2.803354     -0.432685      4.034630
  O      -3.036430      0.785579      3.770454
  C      -1.813361     -0.688475      5.132144
  C      -3.202005     -2.847346      3.675926
  C      -6.402170     11.383855      2.040173
  C      -5.371348     10.285705      2.136254
  O      -4.390723     10.261916      1.401957
  C      -5.570542      9.206626      3.163895
  C      -6.651913      9.201644      4.061760
  C      -6.786217      8.182300      4.999251
  C      -5.832620      7.171940      5.037811
  F      -6.009440      6.192323      5.959363
  C      -4.735419      7.128659      4.160454
  C      -3.670472      6.077807      4.131862
  O      -2.893970      6.028356      3.182478
  C      -3.557492      5.083507      5.297381
  C      -4.638021      8.170277      3.225898
  C      -8.281857     -5.180867      4.164290
  C      -7.231294     -4.291837      4.784949
  O      -6.239609     -4.765860      5.330593
  C      -7.414634     -2.806364      4.704542
  C      -8.475760     -2.213005      3.998064
  C      -8.585890     -0.828854      3.920917
  C      -7.628151     -0.041014      4.549576
  F      -7.775247      1.301173      4.456205
  C      -6.554275     -0.583864      5.274579
  C      -5.458877      0.197442      5.940751
  O      -4.695750     -0.365487      6.716437
  C      -5.258283      1.676156      5.577818
  C      -6.481536     -1.982483      5.337668
  H      -3.851369     -7.404750      3.374383
  H      -5.325866     -6.389861      3.293924
  H      -4.249998     -6.487294      1.884682
  H      -5.406406     -4.480088      1.663095
  H      -5.945311     -2.125327      1.032386
  H      -0.981147     -1.314640      4.747804
  H      -2.309466     -1.290383      5.921769
  H      -2.442953     -3.085402      4.421741
  H      -6.466414     11.938634      2.989183
  H      -7.401975     10.968907      1.840920
  H      -6.122099     12.071057      1.235339
  H      -7.397946      9.996078      4.035537
  H      -7.619117      8.154435      5.701995
  H      -3.631412      5.652356      6.244337
  H      -4.455318      4.444449      5.252161
  H      -3.800128      8.169455      2.527664
  H      -9.275481     -4.974890      4.590026
  H      -8.018370     -6.229096      4.339346
  H      -8.353016     -4.996830      3.080655
  H      -9.223742     -2.829372      3.499008
  H      -9.402900     -0.346502      3.384127
  H      -6.114174      2.242363      5.996469
  H      -5.360150      1.768859      4.485520
  H      -5.657318     -2.435663      5.889868
  N      -0.933352      2.731320      3.708346
  N      -0.909660      3.726078      2.903917
  H      -1.564166      4.526730      3.048755
  H      -0.211895      3.763004      2.156459
90
Coordinates from ORCA-job orca E -6562.084565501240
  N      -1.333948      0.574249      5.651610
  Mo     -2.236627      2.237575      5.028658
  N      -3.990793      2.197654      6.016250
  C      -3.915138      2.643287      7.403902
  C      -2.552345      2.265106      7.972723
  N      -1.444165      2.713815      7.054435
  C      -0.206557      1.911459      7.269529
  C      -0.464272      0.486582      6.800710
  C      -1.169969      4.188690      7.229327
  C      -1.197630      4.832518      5.850677
  N      -2.372895      4.280443      5.180890
  H       0.497553      0.001167      6.551021
  H      -0.924543     -0.124722      7.602848
  H       0.578826      2.379014      6.661176
  H       0.093561      1.947913      8.329596
  H      -1.243161      5.931392      5.931704
  H      -0.285564      4.577613      5.290891
  H      -1.975536      4.600961      7.852717
  H      -0.220003      4.329418      7.766848
  H      -4.683499      2.144238      8.016681
  H      -4.096656      3.732719      7.499245
  H      -2.504238      1.172682      8.041784
  H      -2.380835      2.692758      8.974094
  C      -4.268982     -6.474687      2.988786
  C      -3.483191     -5.309058      3.528767
  O      -2.553232     -5.462678      4.311321
  C      -3.866175     -3.920797      3.090457
  C      -4.862299     -3.660718      2.135129
  C      -5.174193     -2.351587      1.774697
  C      -4.494871     -1.301390      2.374400
  F      -4.834240     -0.050385      2.014927
  C      -3.487725     -1.511851      3.347305
  C      -2.800968     -0.434427      4.036885
  O      -3.034090      0.783877      3.772386
  C      -1.810479     -0.689340      5.134223
  C      -3.199066     -2.849073      3.678052
  C      -6.402664     11.385878      2.046303
  C      -5.375203     10.284114      2.136207
  O      -4.398944     10.256838      1.396162
  C      -5.572500      9.205186      3.164381
  C      -6.652451      9.200366      4.063892
  C      -6.786151      8.180803      5.001212
  C      -5.832794      7.170175      5.038160
  F      -6.007832      6.190717      5.960083
  C      -4.736752      7.126924      4.159164
  C      -3.672313      6.075773      4.129815
  O      -2.896681      6.025449      3.179837
  C      -3.558638      5.081218      5.295434
  C      -4.640141      8.168516      3.224540
  C      -8.288094     -5.176494      4.159587
  C      -7.236758     -4.289181      4.781138
  O      -6.245988     -4.764687      5.327248
  C      -7.418279     -2.803463      4.701512
  C      -8.478226     -2.208559      3.994448
  C      -8.586676     -0.824282      3.917608
  C      -7.628487     -0.037843      4.547389
  F      -7.773809      1.304626      4.454867
  C      -6.555793     -0.582228      5.272722
  C      -5.459540      0.197780      5.939707
  O      -4.697422     -0.366555      6.715112
  C      -5.257020      1.676507      5.577172
  C      -6.484496     -1.980898      5.335369
  H      -3.845945     -7.406695      3.376985
  H      -5.321479     -6.392748      3.300493
  H      -4.248784     -6.489896      1.888404
  H      -5.404122     -4.482330      1.666291
  H      -5.944236     -2.127663      1.036429
  H      -0.978376     -1.315521      4.749502
  H      -2.305138     -1.291903      5.924244
  H      -2.439275     -3.086734      4.423235
  H      -6.466279     11.935981      2.997983
  H      -7.403196     10.973849      1.844243
  H      -6.121091     12.076137      1.244614
  H      -7.398135      9.995181      4.038923
  H      -7.618153      8.153063      5.705015
  H      -3.632835      5.650030      6.242439
  H      -4.455937      4.441586      5.250224
  H      -3.803458      8.167394      2.524870
  H      -9.281582     -4.969206      4.585058
  H      -8.026305     -6.225149      4.334718
  H      -8.358685     -4.992261      3.075985
  H      -9.226734     -2.823897      3.494947
  H      -9.402588     -0.340854      3.380110
  H      -6.112211      2.244219      5.995043
  H      -5.357814      1.769175      4.484768
  H      -5.661054     -2.435213      5.887787
  N      -0.932314      2.729586      3.707382
  N      -0.910592      3.723657      2.902070
  H      -1.565668      4.523743      3.046863
  H      -0.214187      3.760703      2.153367
90
Coordinates from ORCA-job orca E -6562.084567019657
  N      -1.331290      0.574242      5.651413
  Mo     -2.235176      2.236966      5.027872
  N      -3.988863      2.195596      6.015830
  C      -3.914000      2.641878      7.403286
  C      -2.550533      2.265934      7.972049
  N      -1.442944      2.714951      7.053244
  C      -0.204792      1.913424      7.268346
  C      -0.461795      0.487947      6.800766
  C      -1.169808      4.190201      7.227008
  C      -1.199606      4.833415      5.848074
  N      -2.374460      4.279606      5.179062
  H       0.500307      0.002607      6.552085
  H      -0.921937     -0.122551      7.603607
  H       0.579822      2.380982      6.658969
  H       0.096167      1.950870      8.328139
  H      -1.246289      5.932285      5.928661
  H      -0.287780      4.579502      5.287408
  H      -1.975284      4.602192      7.850766
  H      -0.219689      4.332028      7.763884
  H      -4.681345      2.141774      8.016480
  H      -4.097416      3.731044      7.497986
  H      -2.501064      1.173672      8.042421
  H      -2.379609      2.694752      8.973026
  C      -4.267147     -6.476479      2.994674
  C      -3.480143     -5.310574      3.532197
  O      -2.549052     -5.463738      4.313561
  C      -3.863633     -3.922689      3.093379
  C      -4.859957     -3.663159      2.138159
  C      -5.171946     -2.354233      1.777072
  C      -4.492712     -1.303615      2.376262
  F      -4.832407     -0.052881      2.016031
  C      -3.485520     -1.513509      3.349094
  C      -2.798692     -0.435760      4.037985
  O      -3.031721      0.782464      3.773084
  C      -1.807708     -0.689775      5.135151
  C      -3.196606     -2.850552      3.680329
  C      -6.399230     11.391267      2.054783
  C      -5.375061     10.286059      2.139739
  O      -4.400568     10.257319      1.397414
  C      -5.573632      9.205181      3.165647
  C      -6.654683      9.198771      4.063719
  C      -6.789997      8.177208      4.998720
  C      -5.836709      7.166598      5.035134
  F      -6.013180      6.185209      5.954699
  C      -4.739422      7.124953      4.157379
  C      -3.675205      6.073530      4.127598
  O      -2.899863      6.023235      3.177444
  C      -3.561052      5.078943      5.293264
  C      -4.641604      8.168064      3.224768
  C      -8.293924     -5.173604      4.156718
  C      -7.241318     -4.287826      4.778135
  O      -6.250471     -4.764597      5.323055
  C      -7.421370     -2.801849      4.699671
  C      -8.480471     -2.205608      3.992327
  C      -8.587558     -0.821221      3.915806
  C      -7.628817     -0.036030      4.546307
  F      -7.772697      1.306661      4.454430
  C      -6.556897     -0.581741      5.271787
  C      -5.459677      0.197219      5.938527
  O      -4.697955     -0.368079      6.713571
  C      -5.255515      1.675855      5.576037
  C      -6.486970     -1.980443      5.334049
  H      -3.842467     -7.408184      3.381861
  H      -5.318444     -6.394511      3.310558
  H      -4.250747     -6.492332      1.894287
  H      -5.402021     -4.484953      1.669890
  H      -5.942209     -2.130811      1.038891
  H      -0.975870     -1.316253      4.750219
  H      -2.301417     -1.292460      5.925669
  H      -2.436532     -3.087629      4.425408
  H      -6.464112     11.935928      3.009407
  H      -7.400085     10.982346      1.847792
  H      -6.114566     12.085284      1.257435
  H      -7.400169      9.993765      4.039259
  H      -7.623215      8.147990      5.701014
  H      -3.636214      5.647567      6.240305
  H      -4.457773      4.438582      5.247331
  H      -3.804216      8.167954      2.525935
  H      -9.287453     -4.963863      4.580817
  H      -8.034277     -6.222557      4.333334
  H      -8.362977     -4.990670      3.072802
  H      -9.229307     -2.820101      3.492309
  H      -9.402578     -0.336854      3.377813
  H      -6.110412      2.244451      5.993136
  H      -5.355038      1.768374      4.483494
  H      -5.664053     -2.435790      5.886412
  N      -0.931544      2.729731      3.706367
  N      -0.910640      3.723329      2.900452
  H      -1.566210      4.523086      3.044174
  H      -0.214745      3.760023      2.151254
90
Coordinates from ORCA-job orca E -6562.084567956970
  N      -1.331083      0.574221      5.651793
  Mo     -2.234842      2.236842      5.027962
  N      -3.988568      2.195121      6.015672
  C      -3.914114      2.641574      7.403092
  C      -2.550564      2.266269      7.972107
  N      -1.442961      2.715204      7.053297
  C      -0.204764      1.913868      7.268507
  C      -0.461725      0.488263      6.801216
  C      -1.170052      4.190526      7.226638
  C      -1.200294      4.833705      5.847698
  N      -2.375022      4.279356      5.178832
  H       0.500438      0.002839      6.552933
  H      -0.922008     -0.121920      7.604231
  H       0.579738      2.381328      6.658904
  H       0.096380      1.951452      8.328243
  H      -1.247268      5.932552      5.928220
  H      -0.288504      4.580045      5.286818
  H      -1.975448      4.602588      7.850483
  H      -0.219920      4.332663      7.763409
  H      -4.681182      2.141112      8.016373
  H      -4.098228      3.730616      7.497587
  H      -2.500764      1.174076      8.043126
  H      -2.380034      2.695603      8.972941
  C      -4.266735     -6.476413      2.995498
  C      -3.478619     -5.310712      3.531795
  O      -2.546506     -5.463990      4.311907
  C      -3.862556     -3.922859      3.093386
  C      -4.859302     -3.663305      2.138609
  C      -5.171581     -2.354400      1.777794
  C      -4.492266     -1.303732      2.376881
  F      -4.832467     -0.053020      2.017008
  C      -3.484810     -1.513611      3.349331
  C      -2.797976     -0.435830      4.038102
  O      -3.030921      0.782395      3.773305
  C      -1.806781     -0.689790      5.135138
  C      -3.195526     -2.850663      3.680247
  C      -6.397941     11.392768      2.056815
  C      -5.375928     10.285339      2.139038
  O      -4.403511     10.254483      1.394108
  C      -5.574213      9.204781      3.165353
  C      -6.654858      9.198710      4.063862
  C      -6.789960      8.177197      4.999036
  C      -5.836802      7.166529      5.035291
  F      -6.012920      6.185424      5.955257
  C      -4.739784      7.124647      4.157158
  C      -3.675664      6.073081      4.127278
  O      -2.900309      6.022921      3.177134
  C      -3.561755      5.078454      5.292883
  C      -4.642319      8.167495      3.224353
  C      -8.296001     -5.173374      4.157349
  C      -7.242540     -4.287914      4.777767
  O      -6.251244     -4.764972      5.321613
  C      -7.421964     -2.801850      4.699267
  C      -8.480687     -2.205337      3.991557
  C      -8.587346     -0.820927      3.914786
  C      -7.628500     -0.036024      4.545468
  F      -7.771880      1.306710      4.453406
  C      -6.556892     -0.582011      5.271316
  C      -5.459623      0.196810      5.937911
  O      -4.697965     -0.368532      6.713059
  C      -5.255123      1.675418      5.575460
  C      -6.487438     -1.980699      5.333720
  H      -3.841357     -7.408160      3.381847
  H      -5.317252     -6.394239      3.313983
  H      -4.252827     -6.492252      1.895123
  H      -5.401629     -4.485051      1.670585
  H      -5.942182     -2.131060      1.039950
  H      -0.974749     -1.315692      4.749588
  H      -2.299825     -1.293226      5.925470
  H      -2.435229     -3.087702      4.425098
  H      -6.461151     11.936251      3.012174
  H      -7.399673     10.985844      1.850037
  H      -6.112819     12.087221      1.260008
  H      -7.400259      9.993770      4.039524
  H      -7.622991      8.148132      5.701553
  H      -3.637165      5.647026      6.239939
  H      -4.458513      4.438166      5.246532
  H      -3.805250      8.167047      2.525129
  H      -9.289673     -4.961583      4.579998
  H      -8.037701     -6.222305      4.336080
  H      -8.363686     -4.992503      3.072984
  H      -9.229502     -2.819689      3.491344
  H      -9.402030     -0.336386      3.376460
  H      -6.110179      2.243964      5.992229
  H      -5.353925      1.767903      4.482838
  H      -5.664836     -2.436309      5.886348
  N      -0.931179      2.729681      3.706518
  N      -0.910745      3.723042      2.900344
  H      -1.566847      4.522466      3.043314
  H      -0.214593      3.759867      2.151388
