88
Coordinates from ORCA-job orca E -6506.776101725135
  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
  H      -0.612374      2.944712      2.635968
88
Coordinates from ORCA-job orca E -6506.798125913394
  N      -1.525884      0.873610      5.474400
  Mo     -2.663885      2.382018      4.865222
  N      -4.279364      2.062520      5.918289
  C      -4.244696      2.355162      7.344825
  C      -2.811884      2.187693      7.853405
  N      -1.869398      2.882649      6.946055
  C      -0.503280      2.338258      7.072626
  C      -0.463361      0.947829      6.439279
  C      -1.845065      4.343958      7.206455
  C      -1.818842      5.015883      5.828941
  N      -2.865567      4.353657      5.085489
  H       0.523331      0.782703      5.962945
  H      -0.585733      0.155479      7.204525
  H       0.171248      3.010436      6.530137
  H      -0.197933      2.305551      8.130319
  H      -1.974170      6.102614      5.909340
  H      -0.844980      4.852509      5.340402
  H      -2.773674      4.635231      7.712378
  H      -0.992156      4.618795      7.842937
  H      -4.886481      1.660567      7.910342
  H      -4.620752      3.379718      7.539605
  H      -2.581300      1.117442      7.831787
  H      -2.704144      2.562233      8.883780
  C      -3.944846     -6.455027      3.322377
  C      -2.998628     -5.288759      3.440856
  O      -1.868468     -5.405995      3.897987
  C      -3.530133     -3.956806      3.024366
  C      -4.651491     -3.817279      2.191523
  C      -5.117892     -2.548603      1.871310
  C      -4.492385     -1.436111      2.400515
  F      -5.018635     -0.224975      2.087006
  C      -3.361987     -1.522668      3.252073
  C      -2.783242     -0.354974      3.883066
  O      -3.177947      0.812583      3.598641
  C      -1.659442     -0.433925      4.880546
  C      -2.896737     -2.821327      3.522255
  C      -5.502178     12.078638      2.482218
  C      -4.800445     10.743254      2.393644
  O      -3.912781     10.542429      1.575059
  C      -5.226946      9.672537      3.344428
  C      -6.206414      9.872247      4.333436
  C      -6.562858      8.827386      5.175369
  C      -5.936494      7.598072      5.051350
  F      -6.361576      6.601164      5.869005
  C      -4.935379      7.352020      4.092523
  C      -4.211017      6.076507      3.909297
  O      -3.668201      5.819173      2.836309
  C      -4.111464      5.085994      5.080460
  C      -4.623309      8.420233      3.239455
  C      -8.221201     -5.664186      4.575675
  C      -7.153807     -4.701875      5.043023
  O      -6.098334     -5.112956      5.518037
  C      -7.428616     -3.243928      4.893357
  C      -8.627762     -2.743702      4.348454
  C      -8.805210     -1.373561      4.213481
  C      -7.805148     -0.499904      4.613238
  F      -8.044981      0.824610      4.432215
  C      -6.590401     -0.944911      5.168792
  C      -5.445961     -0.108627      5.596994
  O      -4.420265     -0.651369      6.003498
  C      -5.516414      1.427876      5.508651
  C      -6.449698     -2.337085      5.293490
  H      -3.481609     -7.349810      3.746173
  H      -4.868037     -6.209787      3.870308
  H      -4.198945     -6.640664      2.272353
  H      -5.157017     -4.688174      1.786315
  H      -5.982448     -2.410223      1.226505
  H      -0.726835     -0.744502      4.359256
  H      -1.877003     -1.190985      5.655065
  H      -2.035105     -2.965025      4.169219
  H      -5.340363     12.524888      3.470604
  H      -6.580618     11.952385      2.332064
  H      -5.103408     12.746786      1.714821
  H      -6.698872     10.832991      4.447609
  H      -7.333940      8.951111      5.932157
  H      -4.245715      5.634690      6.027424
  H      -4.957103      4.383259      4.986639
  H      -3.865368      8.260556      2.475112
  H      -9.151933     -5.495812      5.129965
  H      -7.883112     -6.690031      4.742585
  H      -8.425397     -5.515674      3.508870
  H      -9.419003     -3.412538      4.024392
  H      -9.718654     -0.962515      3.789976
  H      -6.375370      1.757071      6.118077
  H      -5.739169      1.694993      4.465052
  H      -5.519403     -2.717998      5.709303
  N      -1.218216      2.784436      3.435656
  H      -0.513056      2.970374      2.718773
88
Coordinates from ORCA-job orca E -6506.816595755176
  N      -1.435552      0.846798      5.489880
  Mo     -2.560378      2.378063      4.874561
  N      -4.203296      2.065734      5.949560
  C      -4.139207      2.364862      7.386095
  C      -2.700675      2.186990      7.876366
  N      -1.749323      2.874695      6.948703
  C      -0.381205      2.308597      7.067214
  C      -0.367898      0.912838      6.448348
  C      -1.714499      4.351652      7.195600
  C      -1.704614      5.025179      5.821429
  N      -2.767825      4.367697      5.092816
  H       0.618954      0.734174      5.967544
  H      -0.492540      0.124718      7.224520
  H       0.296603      2.972614      6.513740
  H      -0.069025      2.283927      8.126415
  H      -1.857098      6.115557      5.908791
  H      -0.736334      4.860996      5.311845
  H      -2.640000      4.645788      7.713433
  H      -0.851113      4.617360      7.830103
  H      -4.779958      1.678128      7.966964
  H      -4.501468      3.396541      7.587192
  H      -2.472442      1.113503      7.857463
  H      -2.573429      2.568237      8.906039
  C      -3.841208     -6.505717      3.485734
  C      -2.922712     -5.304447      3.556355
  O      -1.773448     -5.390200      3.992156
  C      -3.485904     -3.983131      3.120044
  C      -4.631937     -3.878905      2.306342
  C      -5.124002     -2.618726      1.957602
  C      -4.499053     -1.478514      2.442573
  F      -5.054667     -0.291834      2.102985
  C      -3.344861     -1.527416      3.278377
  C      -2.742518     -0.358925      3.889135
  O      -3.126714      0.831195      3.609796
  C      -1.609607     -0.452425      4.877749
  C      -2.858368     -2.820095      3.574316
  C      -5.712488     12.032985      2.465180
  C      -4.960083     10.719257      2.384843
  O      -4.061013     10.550941      1.564255
  C      -5.342558      9.623161      3.340073
  C      -6.331457      9.787103      4.328724
  C      -6.652490      8.732001      5.179586
  C      -5.972040      7.523658      5.054569
  F      -6.356298      6.514702      5.874085
  C      -4.963049      7.312537      4.098066
  C      -4.176871      6.046095      3.915115
  O      -3.638966      5.821706      2.846232
  C      -4.032664      5.062441      5.094971
  C      -4.687968      8.388300      3.239416
  C      -8.444285     -5.534952      4.345348
  C      -7.347011     -4.627157      4.865232
  O      -6.310293     -5.098787      5.337735
  C      -7.557485     -3.145600      4.773504
  C      -8.730574     -2.576369      4.231050
  C      -8.857113     -1.191791      4.141900
  C      -7.820430     -0.376393      4.589022
  F      -7.994174      0.960573      4.457399
  C      -6.632721     -0.888586      5.144689
  C      -5.451087     -0.096302      5.611090
  O      -4.458459     -0.695462      6.015946
  C      -5.456849      1.446750      5.538563
  C      -6.545116     -2.291196      5.223040
  H      -3.337440     -7.380058      3.918466
  H      -4.765739     -6.282331      4.051691
  H      -4.119093     -6.726307      2.440286
  H      -5.137580     -4.773522      1.933711
  H      -6.008604     -2.506850      1.323696
  H      -0.688419     -0.784729      4.340983
  H      -1.832299     -1.213011      5.653786
  H      -1.975866     -2.936294      4.210539
  H      -5.573628     12.496067      3.457569
  H      -6.793692     11.871482      2.314820
  H      -5.333530     12.713266      1.691805
  H      -6.863567     10.736382      4.438089
  H      -7.432978      8.828035      5.940410
  H      -4.189312      5.611534      6.044762
  H      -4.861663      4.333532      5.004592
  H      -3.919365      8.252257      2.472480
  H      -9.386068     -5.356470      4.892793
  H      -8.141595     -6.581631      4.477367
  H      -8.634329     -5.339257      3.275646
  H      -9.547165     -3.207389      3.869399
  H      -9.752049     -0.725424      3.719240
  H      -6.314796      1.791847      6.147068
  H      -5.673443      1.733571      4.496170
  H      -5.629690     -2.723430      5.636484
  N      -1.209374      2.760155      3.495481
  H      -0.530220      2.925938      2.746989
88
Coordinates from ORCA-job orca E -6506.830530564799
  N      -1.406359      0.818370      5.513074
  Mo     -2.492750      2.380470      4.868266
  N      -4.182005      2.073140      5.934745
  C      -4.116423      2.382348      7.372119
  C      -2.684326      2.191159      7.873603
  N      -1.706654      2.864462      6.952159
  C      -0.348627      2.271135      7.092518
  C      -0.356944      0.869211      6.487667
  C      -1.659603      4.348311      7.194016
  C      -1.639283      5.029164      5.826842
  N      -2.705073      4.388821      5.090050
  H       0.636890      0.669510      6.027056
  H      -0.506423      0.089741      7.269680
  H       0.347142      2.922548      6.546012
  H      -0.054509      2.251023      8.157013
  H      -1.785419      6.120213      5.923812
  H      -0.671626      4.862566      5.315113
  H      -2.587709      4.644870      7.706343
  H      -0.800021      4.596800      7.842174
  H      -4.766502      1.705732      7.954813
  H      -4.468482      3.418738      7.567724
  H      -2.461842      1.116389      7.861023
  H      -2.557505      2.577602      8.901494
  C      -3.938697     -6.476408      3.488235
  C      -3.003914     -5.286814      3.569985
  O      -1.867263     -5.391764      4.037560
  C      -3.525003     -3.956086      3.110095
  C      -4.651808     -3.834261      2.269198
  C      -5.108914     -2.564906      1.898375
  C      -4.471234     -1.432927      2.390019
  F      -4.990953     -0.237769      2.031052
  C      -3.338434     -1.497854      3.253331
  C      -2.723160     -0.348521      3.874376
  O      -3.087638      0.858769      3.591611
  C      -1.609302     -0.466872      4.882025
  C      -2.884250     -2.801507      3.568795
  C      -5.806498     12.015418      2.481721
  C      -5.018340     10.722622      2.405022
  O      -4.099524     10.587979      1.599426
  C      -5.384740      9.602199      3.340483
  C      -6.395819      9.728870      4.311132
  C      -6.706686      8.659467      5.149454
  C      -5.986990      7.471185      5.022175
  F      -6.353911      6.442535      5.824168
  C      -4.958237      7.298388      4.083702
  C      -4.125829      6.043789      3.900779
  O      -3.572475      5.851049      2.839152
  C      -3.975416      5.061114      5.083201
  C      -4.693384      8.385855      3.239642
  C      -8.433273     -5.530887      4.390917
  C      -7.350828     -4.613045      4.923717
  O      -6.329825     -5.076035      5.437328
  C      -7.547822     -3.131267      4.798219
  C      -8.701127     -2.567940      4.210357
  C      -8.822175     -1.184701      4.086919
  C      -7.789720     -0.367989      4.547787
  F      -7.946733      0.966467      4.388568
  C      -6.622545     -0.875832      5.146025
  C      -5.439874     -0.075129      5.626393
  O      -4.472085     -0.674686      6.080738
  C      -5.429610      1.461887      5.512560
  C      -6.542156     -2.274374      5.259250
  H      -3.455209     -7.352459      3.940852
  H      -4.877738     -6.242135      4.024921
  H      -4.195579     -6.704961      2.438130
  H      -5.168991     -4.721884      1.894064
  H      -5.976400     -2.437167      1.243885
  H      -0.690035     -0.822626      4.355244
  H      -1.859863     -1.228686      5.649971
  H      -2.019749     -2.931850      4.226615
  H      -5.703444     12.475763      3.480786
  H      -6.881972     11.831281      2.310849
  H      -5.428969     12.711118      1.721221
  H      -6.954928     10.663878      4.416944
  H      -7.503127      8.725998      5.896796
  H      -4.164403      5.606484      6.031717
  H      -4.792130      4.320056      4.977485
  H      -3.907254      8.276938      2.485653
  H      -9.394187     -5.341605      4.902220
  H      -8.133916     -6.574082      4.555335
  H      -8.594827     -5.359891      3.311384
  H      -9.509734     -3.205033      3.839191
  H      -9.702238     -0.722426      3.629882
  H      -6.298587      1.828160      6.095189
  H      -5.626965      1.727928      4.460854
  H      -5.639436     -2.700888      5.706301
  N      -1.220672      2.742124      3.576605
  H      -0.561767      2.886106      2.808837
88
Coordinates from ORCA-job orca E -6506.837955967551
  N      -1.355599      0.787134      5.521919
  Mo     -2.404512      2.368944      4.836406
  N      -4.131192      2.077242      5.899550
  C      -4.060201      2.406141      7.327690
  C      -2.633949      2.207040      7.840234
  N      -1.637610      2.860812      6.924093
  C      -0.291013      2.248869      7.084441
  C      -0.320026      0.834738      6.507021
  C      -1.583453      4.345858      7.156405
  C      -1.572220      5.025949      5.791485
  N      -2.642031      4.392451      5.058702
  H       0.677464      0.608638      6.067413
  H      -0.489693      0.075558      7.303716
  H       0.417804      2.883333      6.535991
  H      -0.009197      2.244139      8.151367
  H      -1.718843      6.115605      5.894787
  H      -0.609489      4.862632      5.271483
  H      -2.510082      4.640058      7.670324
  H      -0.725901      4.587492      7.808233
  H      -4.718505      1.745459      7.918760
  H      -4.401087      3.447990      7.510511
  H      -2.416672      1.132238      7.841495
  H      -2.506932      2.605599      8.862165
  C      -3.974519     -6.477214      3.604665
  C      -3.035910     -5.292996      3.672944
  O      -1.904557     -5.401727      4.146121
  C      -3.537808     -3.967394      3.188214
  C      -4.662201     -3.845936      2.344886
  C      -5.093848     -2.578117      1.944430
  C      -4.438251     -1.447516      2.410277
  F      -4.929529     -0.248652      2.021940
  C      -3.312626     -1.510569      3.279938
  C      -2.683609     -0.365739      3.879275
  O      -3.038234      0.846649      3.577973
  C      -1.578249     -0.491362      4.893809
  C      -2.881688     -2.816275      3.623879
  C      -5.956068     11.955663      2.552046
  C      -5.124898     10.693506      2.464994
  O      -4.192753     10.604657      1.671061
  C      -5.464359      9.546668      3.373202
  C      -6.491680      9.623005      4.330024
  C      -6.778904      8.533018      5.147825
  C      -6.017928      7.373362      5.010636
  F      -6.357917      6.318351      5.791725
  C      -4.973889      7.251879      4.083467
  C      -4.094336      6.026309      3.889431
  O      -3.530378      5.866259      2.824688
  C      -3.917154      5.044558      5.067340
  C      -4.731629      8.358246      3.261070
  C      -8.505017     -5.420862      4.298472
  C      -7.427183     -4.528737      4.875788
  O      -6.438674     -5.013060      5.426180
  C      -7.584293     -3.045627      4.748856
  C      -8.699591     -2.457118      4.119487
  C      -8.787242     -1.073910      3.992130
  C      -7.753604     -0.283096      4.490084
  F      -7.875254      1.055820      4.329831
  C      -6.622400     -0.818836      5.129280
  C      -5.432756     -0.042529      5.641276
  O      -4.504368     -0.656456      6.150846
  C      -5.378302      1.484363      5.479856
  C      -6.576799     -2.215317      5.248132
  H      -3.494410     -7.346520      4.069651
  H      -4.914306     -6.237852      4.131156
  H      -4.228775     -6.718945      2.558901
  H      -5.192933     -4.730970      1.989821
  H      -5.954710     -2.448398      1.285154
  H      -0.664244     -0.873167      4.376470
  H      -1.845148     -1.244552      5.663886
  H      -2.023430     -2.948111      4.285357
  H      -5.885434     12.401866      3.558058
  H      -7.021017     11.740958      2.364871
  H      -5.591288     12.674897      1.809629
  H      -7.081331     10.535667      4.440775
  H      -7.585189      8.560376      5.883377
  H      -4.122022      5.583591      6.015798
  H      -4.721569      4.291681      4.960214
  H      -3.934657      8.288047      2.516784
  H      -9.480799     -5.213354      4.768255
  H      -8.233509     -6.468712      4.471447
  H      -8.621942     -5.244644      3.216185
  H      -9.505372     -3.075998      3.719204
  H      -9.637764     -0.592901      3.505185
  H      -6.250118      1.890125      6.032562
  H      -5.558147      1.720115      4.418540
  H      -5.701104     -2.661215      5.724473
  N      -1.195144      2.720301      3.585148
  H      -0.566655      2.843013      2.790564
88
Coordinates from ORCA-job orca E -6506.843453666053
  N      -1.341147      0.757449      5.536743
  Mo     -2.334837      2.355758      4.799705
  N      -4.093162      2.101605      5.847767
  C      -4.028583      2.458403      7.263392
  C      -2.613644      2.243936      7.798946
  N      -1.591357      2.865480      6.892008
  C      -0.261949      2.228609      7.078831
  C      -0.320404      0.800578      6.536070
  C      -1.518687      4.349456      7.108837
  C      -1.512367      5.018223      5.739521
  N      -2.589500      4.389435      5.015200
  H       0.678074      0.536207      6.122698
  H      -0.519889      0.069572      7.350590
  H       0.465607      2.835694      6.525006
  H       0.007748      2.243558      8.148111
  H      -1.652863      6.108384      5.839674
  H      -0.554819      4.848544      5.214452
  H      -2.440787      4.652255      7.623966
  H      -0.660898      4.586562      7.760118
  H      -4.703698      1.822247      7.861994
  H      -4.353258      3.508843      7.424810
  H      -2.412573      1.167153      7.822060
  H      -2.491922      2.658182      8.814261
  C      -4.055667     -6.487313      3.674447
  C      -3.115615     -5.308510      3.765195
  O      -1.999145     -5.423598      4.265299
  C      -3.593014     -3.983873      3.260381
  C      -4.702816     -3.855456      2.400460
  C      -5.100078     -2.587340      1.972966
  C      -4.428876     -1.463836      2.427423
  F      -4.879749     -0.259780      2.003102
  C      -3.322306     -1.531733      3.318631
  C      -2.678562     -0.389348      3.899140
  O      -3.013236      0.823219      3.573088
  C      -1.584630     -0.520893      4.924305
  C      -2.924466     -2.840630      3.690331
  C      -6.071721     11.913719      2.644821
  C      -5.204107     10.679654      2.541325
  O      -4.260756     10.635379      1.759198
  C      -5.522928      9.506676      3.417878
  C      -6.564357      9.533414      4.360993
  C      -6.829996      8.420571      5.152578
  C      -6.035953      7.287563      5.002673
  F      -6.352144      6.206978      5.760318
  C      -4.978973      7.215255      4.085578
  C      -4.065147      6.021841      3.878786
  O      -3.494130      5.888557      2.809947
  C      -3.862997      5.038449      5.047844
  C      -4.756219      8.343988      3.290050
  C      -8.473561     -5.353822      4.250533
  C      -7.422696     -4.460814      4.870060
  O      -6.467200     -4.941269      5.474942
  C      -7.566248     -2.981514      4.720344
  C      -8.647205     -2.395270      4.035940
  C      -8.723056     -1.015082      3.891637
  C      -7.708910     -0.224377      4.423802
  F      -7.824819      1.114542      4.250817
  C      -6.608475     -0.759917      5.114091
  C      -5.429616      0.011767      5.655631
  O      -4.541482     -0.594643      6.239027
  C      -5.337888      1.524135      5.427620
  C      -6.576830     -2.152809      5.253062
  H      -3.589289     -7.356697      4.149928
  H      -5.006856     -6.248644      4.174376
  H      -4.283953     -6.727458      2.624479
  H      -5.244558     -4.733876      2.052323
  H      -5.944647     -2.450860      1.297050
  H      -0.676478     -0.935706      4.423254
  H      -1.872993     -1.258297      5.701333
  H      -2.079550     -2.979839      4.363912
  H      -6.028610     12.337916      3.659709
  H      -7.125787     11.673245      2.439789
  H      -5.718587     12.658803      1.924489
  H      -7.180011     10.424787      4.481250
  H      -7.644332      8.409977      5.876725
  H      -4.066283      5.572895      5.998464
  H      -4.664801      4.282987      4.947309
  H      -3.950683      8.312053      2.555010
  H      -9.469229     -5.136329      4.666181
  H      -8.216463     -6.399479      4.448750
  H      -8.535537     -5.189744      3.163891
  H      -9.436448     -3.013912      3.608981
  H      -9.549297     -0.536265      3.366514
  H      -6.214809      1.975128      5.936751
  H      -5.492583      1.711169      4.353192
  H      -5.725070     -2.597482      5.768768
  N      -1.131506      2.698044      3.541718
  H      -0.523522      2.800052      2.728567
88
Coordinates from ORCA-job orca E -6506.847762883871
  N      -1.341499      0.731092      5.554610
  Mo     -2.275964      2.340586      4.765586
  N      -4.064055      2.128854      5.797344
  C      -4.006463      2.515773      7.200339
  C      -2.603517      2.287715      7.759496
  N      -1.555254      2.874914      6.859976
  C      -0.243561      2.213130      7.073746
  C      -0.333828      0.772288      6.567922
  C      -1.460040      4.358942      7.055974
  C      -1.457849      5.010254      5.677750
  N      -2.545591      4.386144      4.963592
  H       0.662844      0.467033      6.181444
  H      -0.564683      0.073124      7.401025
  H       0.502553      2.789314      6.511826
  H       0.017821      2.249369      8.144769
  H      -1.586674      6.102865      5.768797
  H      -0.505917      4.827200      5.148663
  H      -2.375059      4.677819      7.573920
  H      -0.598564      4.594332      7.701955
  H      -4.697529      1.905682      7.808291
  H      -4.315539      3.574757      7.339711
  H      -2.422219      1.208748      7.807733
  H      -2.488237      2.719580      8.768024
  C      -4.142966     -6.504484      3.725538
  C      -3.204313     -5.328947      3.850180
  O      -2.106704     -5.448359      4.387923
  C      -3.658319     -4.003799      3.326419
  C      -4.745697     -3.870173      2.439677
  C      -5.110790     -2.601699      1.987989
  C      -4.431317     -1.484482      2.441455
  F      -4.844277     -0.278819      1.981901
  C      -3.349195     -1.555288      3.362653
  C      -2.691688     -0.414211      3.929267
  O      -3.001079      0.796900      3.576849
  C      -1.609600     -0.550975      4.965013
  C      -2.984486     -2.866428      3.761109
  C      -6.165646     11.897620      2.747463
  C      -5.266242     10.688933      2.621901
  O      -4.313946     10.688694      1.849668
  C      -5.565902      9.488219      3.464665
  C      -6.617945      9.466336      4.396195
  C      -6.862923      8.329100      5.158306
  C      -6.040216      7.220771      4.991823
  F      -6.333622      6.115630      5.723923
  C      -4.973531      7.195612      4.082866
  C      -4.033584      6.032709      3.860731
  O      -3.459405      5.924787      2.788757
  C      -3.812128      5.044541      5.018093
  C      -4.769867      8.348343      3.316696
  C      -8.406971     -5.321019      4.216559
  C      -7.392694     -4.416820      4.878397
  O      -6.469182     -4.885905      5.538649
  C      -7.532704     -2.941024      4.701026
  C      -8.581878     -2.367268      3.961158
  C      -8.655828     -0.989826      3.797558
  C      -7.668923     -0.188247      4.361809
  F      -7.789938      1.148444      4.172848
  C      -6.596369     -0.711877      5.102248
  C      -5.435177      0.066023      5.671354
  O      -4.588196     -0.523768      6.327904
  C      -5.306723      1.562469      5.374750
  C      -6.568766     -2.102114      5.263819
  H      -3.693283     -7.375768      4.212658
  H      -5.109991     -6.267549      4.193867
  H      -4.336305     -6.740207      2.668084
  H      -5.292385     -4.743946      2.089313
  H      -5.935087     -2.459782      1.289010
  H      -0.709858     -1.001963      4.480907
  H      -1.920484     -1.269071      5.751868
  H      -2.156709     -3.012465      4.453626
  H      -6.144578     12.295395      3.773066
  H      -7.210534     11.635852      2.525285
  H      -5.824350     12.669926      2.050981
  H      -7.256633     10.338560      4.529925
  H      -7.683688      8.281459      5.873180
  H      -4.006309      5.578466      5.971110
  H      -4.618499      4.292902      4.927033
  H      -3.957852      8.353771      2.588968
  H      -9.423259     -5.100878      4.575359
  H      -8.158530     -6.363003      4.441658
  H      -8.411819     -5.171011      3.126685
  H      -9.349658     -2.993817      3.508557
  H      -9.461355     -0.520792      3.233613
  H      -6.189095      2.055302      5.835405
  H      -5.434614      1.696754      4.288587
  H      -5.738870     -2.537090      5.821012
  N      -1.076127      2.671388      3.489767
  H      -0.494930      2.750937      2.654585
88
Coordinates from ORCA-job orca E -6506.850940014109
  N      -1.342797      0.708221      5.568963
  Mo     -2.218446      2.324348      4.731434
  N      -4.034596      2.154317      5.743679
  C      -3.986577      2.573012      7.135176
  C      -2.596209      2.332970      7.719027
  N      -1.521996      2.885217      6.826296
  C      -0.227604      2.199276      7.067514
  C      -0.348954      0.748337      6.597486
  C      -1.401406      4.370258      6.998412
  C      -1.401764      5.001384      5.609866
  N      -2.501830      4.381617      4.907696
  H       0.644344      0.403601      6.238325
  H      -0.612861      0.081073      7.446470
  H       0.535954      2.743398      6.496778
  H       0.027961      2.256468      8.139302
  H      -1.515807      6.096969      5.688119
  H      -0.455289      4.800727      5.077921
  H      -2.306738      4.710504      7.520304
  H      -0.532786      4.604355      7.634898
  H      -4.693645      1.989596      7.751501
  H      -4.280780      3.639708      7.250818
  H      -2.436037      1.252309      7.793549
  H      -2.488953      2.783198      8.720497
  C      -4.223421     -6.518317      3.783742
  C      -3.286766     -5.344920      3.937974
  O      -2.210702     -5.464946      4.517996
  C      -3.714899     -4.021353      3.387034
  C      -4.773332     -3.887478      2.466136
  C      -5.107664     -2.620353      1.986364
  C      -4.425707     -1.506116      2.442158
  F      -4.804918     -0.302753      1.948545
  C      -3.372617     -1.576084      3.397792
  C      -2.703591     -0.436515      3.955031
  O      -2.983957      0.773016      3.577088
  C      -1.636848     -0.578746      5.004580
  C      -3.040623     -2.886263      3.827174
  C      -6.254312     11.890076      2.859935
  C      -5.323415     10.707373      2.713699
  O      -4.359608     10.753004      1.956682
  C      -5.606839      9.476214      3.517044
  C      -6.672265      9.402771      4.430871
  C      -6.899452      8.239062      5.157636
  C      -6.046956      7.156428      4.974953
  F      -6.321889      6.026382      5.675425
  C      -4.967103      7.181106      4.080497
  C      -3.998863      6.048872      3.842359
  O      -3.418220      5.972944      2.770833
  C      -3.760084      5.051183      4.985265
  C      -4.780977      8.359877      3.349463
  C      -8.358728     -5.295057      4.194672
  C      -7.377300     -4.382330      4.893911
  O      -6.488460     -4.843298      5.605966
  C      -7.507143     -2.909104      4.688144
  C      -8.522455     -2.346551      3.894922
  C      -8.588872     -0.971680      3.708165
  C      -7.626122     -0.161043      4.300681
  F      -7.743321      1.172826      4.092286
  C      -6.584895     -0.673056      5.090678
  C      -5.442983      0.114682      5.685027
  O      -4.644053     -0.451371      6.418646
  C      -5.274213      1.591909      5.315892
  C      -6.565857     -2.060947      5.277049
  H      -3.792817     -7.389544      4.288062
  H      -5.205007     -6.277924      4.219398
  H      -4.380527     -6.755735      2.720445
  H      -5.320929     -4.759297      2.111886
  H      -5.908704     -2.477230      1.260848
  H      -0.746057     -1.065733      4.539485
  H      -1.972719     -1.274723      5.801611
  H      -2.234804     -3.034715      4.545032
  H      -6.258801     12.257346      3.897192
  H      -7.288977     11.609133      2.613856
  H      -5.921987     12.690975      2.191873
  H      -7.334528     10.255175      4.577868
  H      -7.729462      8.151823      5.858368
  H      -3.940332      5.582910      5.943055
  H      -4.572646      4.305018      4.903463
  H      -3.959609      8.405231      2.633644
  H      -9.391544     -5.068970      4.498837
  H      -8.123990     -6.334303      4.446138
  H      -8.308377     -5.159727      3.103832
  H      -9.270615     -2.980113      3.419280
  H      -9.371194     -0.511141      3.105474
  H      -6.161538      2.124102      5.721843
  H      -5.370739      1.668716      4.220609
  H      -5.760322     -2.487089      5.875449
  N      -1.026374      2.639772      3.446937
  H      -0.473518      2.698221      2.590905
88
Coordinates from ORCA-job orca E -6506.853234053037
  N      -1.347910      0.688597      5.582520
  Mo     -2.166688      2.308695      4.704516
  N      -4.004062      2.179037      5.696512
  C      -3.966207      2.626055      7.078647
  C      -2.588078      2.374195      7.684760
  N      -1.490856      2.893183      6.797991
  C      -0.213495      2.183067      7.063291
  C      -0.367491      0.725403      6.626157
  C      -1.341572      4.378863      6.945676
  C      -1.345105      4.989542      5.546679
  N      -2.459520      4.375113      4.858824
  H       0.620098      0.342351      6.292427
  H      -0.665235      0.088368      7.487116
  H       0.564987      2.694358      6.481907
  H       0.040883      2.259329      8.134282
  H      -1.441215      6.088059      5.609693
  H      -0.405163      4.767610      5.011944
  H      -2.233081      4.743942      7.475166
  H      -0.461115      4.609705      7.566806
  H      -4.688913      2.067952      7.700384
  H      -4.245251      3.699060      7.171933
  H      -2.448877      1.292410      7.782550
  H      -2.488075      2.840663      8.679670
  C      -4.291680     -6.529628      3.825991
  C      -3.362582     -5.354546      4.011663
  O      -2.308031     -5.471614      4.631090
  C      -3.769465     -4.032754      3.438250
  C      -4.799497     -3.899746      2.486016
  C      -5.107863     -2.634201      1.982327
  C      -4.425720     -1.521526      2.442130
  F      -4.777204     -0.321008      1.922802
  C      -3.400344     -1.590804      3.428020
  C      -2.719726     -0.453947      3.979242
  O      -2.966582      0.754256      3.577906
  C      -1.671252     -0.603115      5.045608
  C      -3.097597     -2.898309      3.885075
  C      -6.341303     11.876613      2.955664
  C      -5.377212     10.721693      2.798755
  O      -4.398854     10.812008      2.064252
  C      -5.645745      9.462560      3.563721
  C      -6.727703      9.337649      4.452407
  C      -6.937591      8.149588      5.144506
  C      -6.052447      7.094648      4.953091
  F      -6.308602      5.942820      5.623806
  C      -4.956507      7.169356      4.080627
  C      -3.955978      6.068648      3.832696
  O      -3.361500      6.028366      2.767040
  C      -3.708039      5.057897      4.960370
  C      -4.787442      8.372032      3.384908
  C      -8.313248     -5.270506      4.175993
  C      -7.361733     -4.349894      4.906796
  O      -6.503345     -4.803595      5.660031
  C      -7.482686     -2.879035      4.678510
  C      -8.470060     -2.327749      3.843111
  C      -8.531158     -0.955298      3.637027
  C      -7.589467     -0.136109      4.251821
  F      -7.703499      1.194854      4.027262
  C      -6.574641     -0.636310      5.082397
  C      -5.453061      0.162909      5.699054
  O      -4.704201     -0.375822      6.503936
  C      -5.241130      1.617897      5.262241
  C      -6.561345     -2.022338      5.287932
  H      -3.875770     -7.401304      4.342146
  H      -5.285071     -6.290223      4.234989
  H      -4.416070     -6.765204      2.757703
  H      -5.346064     -4.770578      2.126558
  H      -5.887500     -2.491548      1.233485
  H      -0.790663     -1.126796      4.601717
  H      -2.034852     -1.272551      5.853625
  H      -2.313606     -3.047315      4.626979
  H      -6.377111     12.214899      4.002467
  H      -7.363010     11.575886      2.679214
  H      -6.015765     12.703835      2.316671
  H      -7.415685     10.168520      4.606983
  H      -7.778965      8.022781      5.825909
  H      -3.871399      5.585352      5.924780
  H      -4.528735      4.320060      4.885328
  H      -3.953743      8.457326      2.686738
  H      -9.358264     -5.041399      4.433804
  H      -8.090294     -6.307407      4.447984
  H      -8.215824     -5.146217      3.086620
  H      -9.200710     -2.968332      3.349371
  H      -9.293984     -0.502959      3.003335
  H      -6.129379      2.185749      5.615213
  H      -5.305445      1.641068      4.162169
  H      -5.777099     -2.440293      5.919843
  N      -0.978250      2.607311      3.413973
  H      -0.451133      2.650327      2.540612
88
Coordinates from ORCA-job orca E -6506.854887479459
  N      -1.342434      0.672969      5.593376
  Mo     -2.116052      2.294902      4.687166
  N      -3.965836      2.195954      5.662777
  C      -3.936026      2.662777      7.038917
  C      -2.567309      2.403478      7.660773
  N      -1.454410      2.897336      6.777904
  C      -0.190789      2.167279      7.059988
  C      -0.374521      0.705613      6.650814
  C      -1.280602      4.382937      6.904334
  C      -1.292609      4.976928      5.496780
  N      -2.419942      4.366495      4.823252
  H       0.606455      0.289119      6.339593
  H      -0.702961      0.094662      7.519570
  H       0.597088      2.649363      6.465999
  H       0.067736      2.260023      8.128657
  H      -1.373374      6.077507      5.545711
  H      -0.359775      4.736423      4.958209
  H      -2.155781      4.768899      7.446641
  H      -0.384975      4.609744      7.504759
  H      -4.670747      2.123647      7.662846
  H      -4.202581      3.739804      7.115418
  H      -2.443024      1.321672      7.775710
  H      -2.472595      2.882376      8.650371
  C      -4.340919     -6.535559      3.851183
  C      -3.421362     -5.358046      4.067697
  O      -2.389930     -5.471023      4.725732
  C      -3.809318     -4.037470      3.476965
  C      -4.811878     -3.904382      2.496429
  C      -5.099294     -2.639868      1.975674
  C      -4.419520     -1.528511      2.442831
  F      -4.749116     -0.329263      1.907617
  C      -3.418768     -1.598932      3.453342
  C      -2.727516     -0.466200      4.001465
  O      -2.939945      0.740666      3.578794
  C      -1.698088     -0.622339      5.085590
  C      -3.141626     -2.903619      3.932689
  C      -6.435021     11.846375      3.027181
  C      -5.432112     10.724059      2.875946
  O      -4.432192     10.861278      2.178469
  C      -5.688918      9.438099      3.599965
  C      -6.795852      9.257950      4.447442
  C      -6.990982      8.046543      5.102866
  C      -6.067076      7.023874      4.916543
  F      -6.306903      5.850898      5.555240
  C      -4.947014      7.152778      4.081863
  C      -3.906512      6.087949      3.835621
  O      -3.281515      6.093639      2.787228
  C      -3.660145      5.059542      4.946284
  C      -4.792347      8.378143      3.423647
  C      -8.311433     -5.229970      4.164074
  C      -7.371301     -4.310824      4.912647
  O      -6.537037     -4.765776      5.691765
  C      -7.474901     -2.840930      4.669741
  C      -8.440955     -2.291485      3.808437
  C      -8.489471     -0.920556      3.588876
  C      -7.556350     -0.101925      4.217484
  F      -7.657707      1.227663      3.981305
  C      -6.562775     -0.599801      5.074885
  C      -5.455307      0.203409      5.709479
  O      -4.756641     -0.311472      6.574163
  C      -5.201630      1.636846      5.222353
  C      -6.560888     -1.984759      5.291656
  H      -3.936706     -7.408632      4.374468
  H      -5.343327     -6.299113      4.239294
  H      -4.437918     -6.766237      2.779027
  H      -5.355566     -4.774112      2.129284
  H      -5.859836     -2.497627      1.207246
  H      -0.829291     -1.182767      4.664364
  H      -2.090423     -1.260877      5.905464
  H      -2.378985     -3.053017      4.696540
  H      -6.516648     12.156098      4.080442
  H      -7.437154     11.523221      2.707033
  H      -6.112419     12.699065      2.420813
  H      -7.514502     10.063375      4.599079
  H      -7.849917      7.877343      5.752699
  H      -3.811517      5.578029      5.918531
  H      -4.487850      4.330423      4.869449
  H      -3.939425      8.506151      2.755453
  H      -9.361121     -4.990813      4.392791
  H      -8.104609     -6.266682      4.449808
  H      -8.183787     -5.114937      3.076656
  H      -9.164018     -2.932403      3.303908
  H      -9.236307     -0.469030      2.935575
  H      -6.086088      2.234216      5.534121
  H      -5.239829      1.620264      4.121308
  H      -5.794707     -2.402159      5.945920
  N      -0.930002      2.583576      3.394271
  H      -0.425087      2.622224      2.507461
88
Coordinates from ORCA-job orca E -6506.856147486374
  N      -1.342886      0.658457      5.603561
  Mo     -2.080705      2.282681      4.679083
  N      -3.934720      2.210501      5.644630
  C      -3.909230      2.693173      7.016658
  C      -2.546915      2.428493      7.647963
  N      -1.423645      2.898775      6.764788
  C      -0.172555      2.149349      7.057449
  C      -0.386332      0.685461      6.673038
  C      -1.226091      4.383506      6.870815
  C      -1.249392      4.962840      5.456040
  N      -2.389075      4.357161      4.796632
  H       0.586902      0.238146      6.381851
  H      -0.742796      0.098261      7.547176
  H       0.621213      2.603713      6.449322
  H       0.094293      2.256399      8.122622
  H      -1.315437      6.064939      5.491435
  H      -0.324250      4.704169      4.913214
  H      -2.082554      4.788704      7.429006
  H      -0.313129      4.604011      7.446752
  H      -4.653242      2.169537      7.641942
  H      -4.164005      3.773258      7.079506
  H      -2.434702      1.347313      7.777836
  H      -2.453208      2.918871      8.632051
  C      -4.406250     -6.534862      3.835191
  C      -3.501380     -5.355586      4.100236
  O      -2.495955     -5.470728      4.796815
  C      -3.867083     -4.032227      3.500972
  C      -4.842300     -3.892403      2.494687
  C      -5.107985     -2.626474      1.965121
  C      -4.428271     -1.520147      2.444409
  F      -4.734364     -0.318868      1.900954
  C      -3.450334     -1.598498      3.475814
  C      -2.746540     -0.473393      4.024275
  O      -2.922507      0.732107      3.581666
  C      -1.736715     -0.638151      5.126346
  C      -3.201022     -2.902607      3.970670
  C      -6.510470     11.821133      3.077880
  C      -5.470376     10.731238      2.942504
  O      -4.446262     10.913555      2.292040
  C      -5.719762      9.420655      3.624098
  C      -6.855002      9.187172      4.419332
  C      -7.039786      7.954627      5.037555
  C      -6.078200      6.964081      4.866437
  F      -6.305881      5.772013      5.473144
  C      -4.930784      7.145412      4.080409
  C      -3.849724      6.116312      3.845523
  O      -3.183016      6.173724      2.825133
  C      -3.620408      5.062430      4.934645
  C      -4.785806      8.391477      3.460378
  C      -8.263396     -5.214303      4.169435
  C      -7.341833     -4.285468      4.930100
  O      -6.521349     -4.731725      5.728446
  C      -7.445114     -2.817762      4.673579
  C      -8.398616     -2.279750      3.791269
  C      -8.449593     -0.910652      3.559949
  C      -7.530856     -0.083501      4.198426
  F      -7.633647      1.243879      3.950980
  C      -6.551147     -0.569610      5.079011
  C      -5.464683      0.245128      5.732159
  O      -4.807868     -0.246039      6.643163
  C      -5.171924      1.655509      5.200688
  C      -6.546298     -1.953213      5.305806
  H      -4.013524     -7.414584      4.356152
  H      -5.419488     -6.308792      4.200583
  H      -4.471938     -6.747791      2.757246
  H      -5.384056     -4.758211      2.115332
  H      -5.849826     -2.480061      1.179358
  H      -0.882899     -1.237263      4.729159
  H      -2.159622     -1.241095      5.958327
  H      -2.459764     -3.056910      4.754295
  H      -6.644895     12.101575      4.134014
  H      -7.488508     11.478758      2.706961
  H      -6.187110     12.697640      2.506784
  H      -7.603829      9.966871      4.560146
  H      -7.918628      7.744793      5.647783
  H      -3.766164      5.567515      5.915580
  H      -4.456656      4.345890      4.845367
  H      -3.910657      8.560701      2.831036
  H      -9.318529     -4.978686      4.375721
  H      -8.057938     -6.248013      4.467007
  H      -8.114145     -5.106715      3.084018
  H      -9.109388     -2.928115      3.278969
  H      -9.187249     -0.467273      2.890787
  H      -6.049068      2.279912      5.478740
  H      -5.189543      1.604946      4.100779
  H      -5.792469     -2.362568      5.979356
  N      -0.894551      2.562432      3.386014
  H      -0.406955      2.605322      2.489613
88
Coordinates from ORCA-job orca E -6506.857092248388
  N      -1.303855      0.649814      5.603772
  Mo     -2.028483      2.270751      4.668841
  N      -3.883982      2.203110      5.621386
  C      -3.869880      2.696988      6.990668
  C      -2.511583      2.440028      7.632330
  N      -1.382944      2.900578      6.751003
  C      -0.136274      2.145679      7.052655
  C      -0.361163      0.679057      6.686370
  C      -1.178416      4.385561      6.841622
  C      -1.216738      4.954613      5.421911
  N      -2.359446      4.342401      4.772009
  H       0.610019      0.215625      6.415355
  H      -0.738847      0.107855      7.562062
  H       0.658201      2.584376      6.433977
  H       0.135934      2.265795      8.114858
  H      -1.281823      6.056909      5.447169
  H      -0.295104      4.690527      4.876522
  H      -2.020857      4.798187      7.415284
  H      -0.251847      4.606939      7.394536
  H      -4.619250      2.178952      7.612943
  H      -4.123428      3.777309      7.042009
  H      -2.399784      1.360715      7.774866
  H      -2.424559      2.940621      8.611738
  C      -4.403085     -6.537083      3.870541
  C      -3.501055     -5.357621      4.144394
  O      -2.517716     -5.466689      4.872181
  C      -3.850473     -4.037868      3.527505
  C      -4.807471     -3.900991      2.503967
  C      -5.062242     -2.637751      1.962447
  C      -4.385672     -1.530480      2.443943
  F      -4.684852     -0.329994      1.895240
  C      -3.421092     -1.607233      3.487351
  C      -2.713734     -0.483835      4.033814
  O      -2.865536      0.718665      3.573593
  C      -1.722981     -0.648913      5.153511
  C      -3.187380     -2.907208      3.999252
  C      -6.610891     11.770371      3.138066
  C      -5.531232     10.717895      3.020898
  O      -4.485320     10.950006      2.423336
  C      -5.768741      9.381440      3.654437
  C      -6.930095      9.089600      4.390141
  C      -7.100964      7.835174      4.966752
  C      -6.100548      6.880653      4.813794
  F      -6.314156      5.668179      5.384109
  C      -4.927275      7.119519      4.083361
  C      -3.803140      6.132031      3.861856
  O      -3.089084      6.253609      2.879942
  C      -3.589702      5.046852      4.921620
  C      -4.795705      8.387158      3.505814
  C      -8.389297     -5.134351      4.173119
  C      -7.437536     -4.229356      4.925853
  O      -6.630241     -4.695550      5.725766
  C      -7.496918     -2.761108      4.660478
  C      -8.432068     -2.203353      3.771037
  C      -8.443975     -0.835182      3.529540
  C      -7.506240     -0.030183      4.167822
  F      -7.567357      1.297948      3.909847
  C      -6.546863     -0.535793      5.059459
  C      -5.455273      0.261210      5.721922
  O      -4.847673     -0.217768      6.673526
  C      -5.120971      1.653103      5.167973
  C      -6.578427     -1.918006      5.293286
  H      -4.018106     -7.415769      4.398638
  H      -5.418143     -6.307886      4.227291
  H      -4.459303     -6.752282      2.793052
  H      -5.346959     -4.766874      2.122220
  H      -5.793902     -2.494729      1.166862
  H      -0.878608     -1.275717      4.781033
  H      -2.171225     -1.221342      5.994188
  H      -2.462773     -3.057926      4.798757
  H      -6.801725     12.015710      4.194037
  H      -7.559257     11.408974      2.712692
  H      -6.290368     12.672626      2.607045
  H      -7.710293      9.840041      4.517743
  H      -7.997907      7.581008      5.531745
  H      -3.740145      5.531300      5.912821
  H      -4.427232      4.336791      4.810956
  H      -3.899840      8.601550      2.921246
  H      -9.436040     -4.865629      4.380472
  H      -8.215100     -6.171714      4.477470
  H      -8.239148     -5.038857      3.086978
  H      -9.157214     -2.835649      3.259374
  H      -9.165383     -0.376018      2.853692
  H      -5.990611      2.299508      5.419503
  H      -5.118898      1.582125      4.069684
  H      -5.842740     -2.343445      5.976534
  N      -0.836314      2.557773      3.381308
  H      -0.358039      2.619424      2.481018
88
Coordinates from ORCA-job orca E -6506.858061256581
  N      -1.302498      0.640261      5.606900
  Mo     -2.013233      2.264081      4.668238
  N      -3.863890      2.205245      5.617903
  C      -3.853095      2.711052      6.984501
  C      -2.495401      2.458899      7.629031
  N      -1.363177      2.902072      6.742756
  C      -0.124096      2.133747      7.047517
  C      -0.370461      0.666166      6.699080
  C      -1.142171      4.386660      6.816634
  C      -1.196301      4.946871      5.393133
  N      -2.346775      4.334221      4.755723
  H       0.595455      0.182397      6.445064
  H      -0.768531      0.112923      7.577556
  H       0.671125      2.553304      6.416421
  H       0.157916      2.264359      8.105906
  H      -1.255561      6.049654      5.409671
  H      -0.280745      4.673357      4.842365
  H      -1.965787      4.811649      7.408292
  H      -0.199185      4.601591      7.343759
  H      -4.604957      2.198185      7.607021
  H      -4.104614      3.792054      7.025310
  H      -2.387171      1.381206      7.785806
  H      -2.406668      2.971053      8.602330
  C      -4.468615     -6.527504      3.822693
  C      -3.588247     -5.345997      4.154550
  O      -2.634583     -5.461305      4.919905
  C      -3.915421     -4.020877      3.537138
  C      -4.852336     -3.873173      2.496764
  C      -5.087798     -2.607205      1.953495
  C      -4.406677     -1.507489      2.445686
  F      -4.684966     -0.303463      1.894084
  C      -3.457275     -1.595781      3.502075
  C      -2.736629     -0.481970      4.050432
  O      -2.853828      0.718468      3.572033
  C      -1.763905     -0.655112      5.185763
  C      -3.249128     -2.897071      4.021796
  C      -6.646167     11.763677      3.165589
  C      -5.539051     10.737226      3.077776
  O      -4.470137     11.005326      2.538718
  C      -5.778290      9.380816      3.667207
  C      -6.967619      9.047341      4.337455
  C      -7.138779      7.776747      4.877312
  C      -6.111445      6.846715      4.752846
  F      -6.326481      5.619399      5.289979
  C      -4.910361      7.126178      4.084320
  C      -3.753659      6.168037      3.885909
  O      -2.987550      6.348445      2.953686
  C      -3.571798      5.046423      4.911919
  C      -4.778162      8.410325      3.544207
  C      -8.321516     -5.154304      4.200370
  C      -7.382824     -4.234492      4.951928
  O      -6.580466     -4.686718      5.764768
  C      -7.452852     -2.768436      4.674519
  C      -8.387300     -2.225625      3.775139
  C      -8.412295     -0.858524      3.526208
  C      -7.487292     -0.040736      4.166649
  F      -7.559144      1.285691      3.900653
  C      -6.529902     -0.531255      5.069302
  C      -5.457320      0.280247      5.743198
  O      -4.869419     -0.183648      6.715088
  C      -5.102096      1.655506      5.163375
  C      -6.548601     -1.912536      5.310469
  H      -4.091841     -7.415169      4.341892
  H      -5.496503     -6.316510      4.154266
  H      -4.491758     -6.716924      2.739236
  H      -5.393303     -4.733430      2.103894
  H      -5.806083     -2.457059      1.146806
  H      -0.937804     -1.318982      4.838042
  H      -2.241347     -1.190000      6.035951
  H      -2.540649     -3.055178      4.834534
  H      -6.895264     11.978197      4.216258
  H      -7.563956     11.393777      2.683751
  H      -6.319225     12.685731      2.673549
  H      -7.770150      9.777647      4.443313
  H      -8.056058      7.491125      5.392802
  H      -3.728916      5.509241      5.913258
  H      -4.415823      4.350894      4.774152
  H      -3.859645      8.656796      3.009293
  H      -9.372284     -4.892297      4.396709
  H      -8.141238     -6.187072      4.517110
  H      -8.163320     -5.068951      3.114353
  H      -9.102704     -2.868618      3.262679
  H      -9.134183     -0.410187      2.843352
  H      -5.966820      2.316167      5.395934
  H      -5.089199      1.564076      4.066878
  H      -5.816027     -2.326895      6.004033
  N      -0.815344      2.548807      3.387816
  H      -0.343163      2.632942      2.485955
88
Coordinates from ORCA-job orca E -6506.858957284694
  N      -1.276065      0.629285      5.606148
  Mo     -1.983258      2.257102      4.670535
  N      -3.829052      2.198319      5.617188
  C      -3.822889      2.711037      6.981640
  C      -2.464741      2.466459      7.628502
  N      -1.330609      2.898299      6.738814
  C      -0.096283      2.121393      7.045104
  C      -0.355842      0.653341      6.707814
  C      -1.099828      4.382959      6.803081
  C      -1.169668      4.941552      5.379096
  N      -2.322380      4.323805      4.748676
  H       0.607848      0.156948      6.469894
  H      -0.769701      0.113335      7.587474
  H       0.698899      2.529628      6.406580
  H       0.191736      2.258546      8.101027
  H      -1.231929      6.043940      5.394267
  H      -0.257419      4.669300      4.822765
  H      -1.908157      4.813732      7.411179
  H      -0.144507      4.592876      7.309443
  H      -4.574849      2.197467      7.602908
  H      -4.077863      3.791412      7.015394
  H      -2.356627      1.390570      7.797699
  H      -2.375753      2.988241      8.596549
  C      -4.514876     -6.512890      3.795934
  C      -3.648859     -5.332110      4.167224
  O      -2.722563     -5.453066      4.964627
  C      -3.952592     -4.003833      3.544942
  C      -4.873607     -3.847228      2.491763
  C      -5.090226     -2.579414      1.945448
  C      -4.402372     -1.486857      2.443888
  F      -4.662695     -0.280114      1.889079
  C      -3.464479     -1.584426      3.509958
  C      -2.732864     -0.479107      4.060308
  O      -2.819234      0.719130      3.566084
  C      -1.779487     -0.659497      5.211337
  C      -3.280039     -2.886653      4.036884
  C      -6.725228     11.718612      3.171071
  C      -5.583241     10.728508      3.118941
  O      -4.499220     11.038768      2.635539
  C      -5.806997      9.355233      3.674751
  C      -7.014952      8.974959      4.284082
  C      -7.171438      7.691389      4.796580
  C      -6.112041      6.794141      4.704610
  F      -6.313792      5.554096      5.217298
  C      -4.891475      7.119641      4.094709
  C      -3.698370      6.199721      3.925817
  O      -2.885192      6.439058      3.047935
  C      -3.546543      5.036972      4.908425
  C      -4.773467      8.417030      3.582878
  C      -8.334367     -5.131445      4.219136
  C      -7.395313     -4.211517      4.969871
  O      -6.593843     -4.663511      5.783606
  C      -7.454535     -2.746798      4.681890
  C      -8.383227     -2.202774      3.777534
  C      -8.398861     -0.836609      3.521593
  C      -7.469250     -0.021912      4.159088
  F      -7.530200      1.303666      3.884256
  C      -6.517561     -0.514033      5.067014
  C      -5.444244      0.292579      5.744959
  O      -4.871896     -0.169433      6.727287
  C      -5.070173      1.658255      5.157717
  C      -6.546547     -1.893633      5.316097
  H      -4.145545     -7.406447      4.310346
  H      -5.551491     -6.313304      4.107296
  H      -4.514694     -6.685505      2.709510
  H      -5.418662     -4.701989      2.092481
  H      -5.798369     -2.422808      1.130988
  H      -0.972370     -1.358935      4.890742
  H      -2.286739     -1.157835      6.067201
  H      -2.584897     -3.050630      4.860016
  H      -7.030981     11.905814      4.211970
  H      -7.606886     11.329401      2.639532
  H      -6.404859     12.659298      2.710937
  H      -7.843695      9.678746      4.364119
  H      -8.101379      7.370239      5.266508
  H      -3.718721      5.471453      5.920986
  H      -4.392444      4.353107      4.736609
  H      -3.839445      8.699316      3.094682
  H      -9.384926     -4.865233      4.411004
  H      -8.158028     -6.163165      4.541688
  H      -8.172786     -5.052064      3.133043
  H      -9.102037     -2.843960      3.267441
  H      -9.116512     -0.386907      2.835109
  H      -5.928719      2.330054      5.381825
  H      -5.051321      1.560601      4.061849
  H      -5.819742     -2.309564      6.014756
  N      -0.772957      2.549835      3.403227
  H      -0.299353      2.668523      2.505935
88
Coordinates from ORCA-job orca E -6506.859905265533
  N      -1.240405      0.620851      5.599644
  Mo     -1.954000      2.252362      4.670691
  N      -3.796018      2.183392      5.613937
  C      -3.796190      2.698523      6.976942
  C      -2.436077      2.466952      7.625030
  N      -1.302271      2.895187      6.733014
  C      -0.068872      2.116079      7.040549
  C      -0.332483      0.646795      6.710098
  C      -1.070627      4.381290      6.793191
  C      -1.154743      4.943644      5.371159
  N      -2.303092      4.314066      4.742148
  H       0.632483      0.145492      6.487479
  H      -0.756717      0.116140      7.590780
  H       0.725591      2.520612      6.398954
  H       0.220911      2.257610      8.095438
  H      -1.229846      6.044616      5.391226
  H      -0.242390      4.683582      4.809883
  H      -1.869385      4.811106      7.414277
  H      -0.107962      4.590249      7.285572
  H      -4.544168      2.177141      7.596635
  H      -4.062468      3.776313      7.007615
  H      -2.322912      1.393144      7.804830
  H      -2.349058      2.996617      8.588797
  C      -4.553678     -6.494758      3.783902
  C      -3.698553     -5.314927      4.183562
  O      -2.800108     -5.439475      5.011757
  C      -3.977666     -3.985814      3.552058
  C      -4.884947     -3.823143      2.487889
  C      -5.082202     -2.554738      1.935828
  C      -4.385987     -1.468691      2.436483
  F      -4.628613     -0.260919      1.875055
  C      -3.458107     -1.572321      3.511114
  C      -2.717287     -0.473880      4.062138
  O      -2.777477      0.721907      3.553259
  C      -1.785429     -0.658948      5.229816
  C      -3.297050     -2.874549      4.046717
  C      -6.790181     11.676000      3.168039
  C      -5.623201     10.714138      3.146647
  O      -4.532000     11.053935      2.700809
  C      -5.832276      9.330932      3.683561
  C      -7.050312      8.918131      4.250444
  C      -7.193971      7.627050      4.746831
  C      -6.112963      6.753774      4.680007
  F      -6.304752      5.506479      5.178825
  C      -4.880889      7.111235      4.111605
  C      -3.663533      6.220304      3.963113
  O      -2.806658      6.519031      3.146243
  C      -3.532350      5.019651      4.900061
  C      -4.775593      8.417021      3.617215
  C      -8.374120     -5.109382      4.245129
  C      -7.420228     -4.193846      4.981795
  O      -6.626662     -4.645969      5.803041
  C      -7.464825     -2.730774      4.682231
  C      -8.386926     -2.182568      3.773980
  C      -8.387289     -0.817857      3.509356
  C      -7.449151     -0.009138      4.141971
  F      -7.494565      1.315226      3.856796
  C      -6.504158     -0.505823      5.054059
  C      -5.423449      0.291365      5.732240
  O      -4.856814     -0.175766      6.715496
  C      -5.039693      1.654629      5.148441
  C      -6.548715     -1.883165      5.312292
  H      -4.193329     -7.390906      4.300065
  H      -5.598261     -6.302556      4.072495
  H      -4.531086     -6.659129      2.696443
  H      -5.435599     -4.673040      2.086041
  H      -5.781392     -2.392846      1.114695
  H      -0.998111     -1.393451      4.941125
  H      -2.325176     -1.119634      6.087607
  H      -2.613582     -3.042308      4.878862
  H      -7.135584     11.847071      4.199279
  H      -7.643740     11.269448      2.604570
  H      -6.478135     12.627915      2.725719
  H      -7.896693      9.602598      4.309865
  H      -8.130221      7.281075      5.185538
  H      -3.727630      5.423991      5.922314
  H      -4.373097      4.341271      4.692778
  H      -3.832923      8.724108      3.161992
  H      -9.420352     -4.825582      4.435819
  H      -8.211384     -6.139216      4.580683
  H      -8.214551     -5.046273      3.157639
  H      -9.112510     -2.819356      3.267806
  H      -9.099408     -0.364830      2.819287
  H      -5.894430      2.331427      5.371901
  H      -5.019434      1.560158      4.052080
  H      -5.827849     -2.302668      6.014797
  N      -0.723874      2.561234      3.424646
  H      -0.240936      2.727857      2.540002
88
Coordinates from ORCA-job orca E -6506.860856914758
  N      -1.193699      0.608109      5.593221
  Mo     -1.914743      2.248372      4.678866
  N      -3.753887      2.167211      5.623478
  C      -3.755014      2.678295      6.986535
  C      -2.391542      2.455671      7.630422
  N      -1.260357      2.884357      6.735177
  C      -0.027427      2.102178      7.039291
  C      -0.295000      0.632685      6.709610
  C      -1.028865      4.371694      6.799172
  C      -1.126917      4.945989      5.382551
  N      -2.270341      4.306340      4.752056
  H       0.670996      0.128566      6.497657
  H      -0.725083      0.108101      7.591237
  H       0.766337      2.506806      6.397229
  H       0.263621      2.242330      8.094025
  H      -1.217548      6.044648      5.415806
  H      -0.214851      4.704246      4.813542
  H      -1.820499      4.797078      7.432260
  H      -0.061517      4.578405      7.282792
  H      -4.495863      2.146399      7.606508
  H      -4.033512      3.752941      7.021602
  H      -2.274084      1.383182      7.815775
  H      -2.303572      2.988612      8.592075
  C      -4.597767     -6.467292      3.767102
  C      -3.752006     -5.289782      4.193385
  O      -2.879296     -5.420285      5.047760
  C      -4.004923     -3.959178      3.554573
  C      -4.899845     -3.787683      2.481491
  C      -5.075098     -2.517454      1.925877
  C      -4.367295     -1.440410      2.429180
  F      -4.589409     -0.230786      1.862187
  C      -3.448675     -1.552773      3.511035
  C      -2.696223     -0.463398      4.063624
  O      -2.731756      0.731382      3.545281
  C      -1.786257     -0.657227      5.246301
  C      -3.313198     -2.856045      4.052211
  C      -6.893103     11.589599      3.113018
  C      -5.699401     10.660858      3.119427
  O      -4.612105     11.026187      2.684730
  C      -5.876591      9.279244      3.671782
  C      -7.090742      8.839681      4.227329
  C      -7.204906      7.551432      4.737651
  C      -6.099905      6.707282      4.694773
  F      -6.265562      5.462470      5.208728
  C      -4.869473      7.091587      4.139296
  C      -3.627821      6.234101      4.013039
  O      -2.747496      6.573116      3.236200
  C      -3.505721      5.002605      4.908018
  C      -4.794117      8.395048      3.631946
  C      -8.430099     -5.060379      4.244098
  C      -7.468289     -4.156255      4.983841
  O      -6.676918     -4.617787      5.801724
  C      -7.490282     -2.693901      4.678911
  C      -8.399213     -2.133146      3.765360
  C      -8.375126     -0.769513      3.496880
  C      -7.425944      0.025540      4.130505
  F      -7.446739      1.349287      3.838956
  C      -6.493754     -0.484189      5.047734
  C      -5.399556      0.294543      5.726897
  O      -4.835762     -0.185377      6.705574
  C      -5.003624      1.658575      5.153587
  C      -6.562903     -1.859518      5.310180
  H      -4.247631     -7.365805      4.285890
  H      -5.649689     -6.281766      4.031054
  H      -4.551427     -6.624570      2.679359
  H      -5.458367     -4.630928      2.077008
  H      -5.765575     -2.347035      1.099286
  H      -1.023916     -1.428766      4.990830
  H      -2.361349     -1.077693      6.102466
  H      -2.640095     -3.030161      4.891305
  H      -7.258028     11.763537      4.136960
  H      -7.726807     11.151473      2.543588
  H      -6.602250     12.544280      2.662648
  H      -7.955970      9.501470      4.266826
  H      -8.136237      7.184706      5.169648
  H      -3.722732      5.379093      5.937871
  H      -4.339335      4.326118      4.671774
  H      -3.853500      8.722580      3.187269
  H      -9.473269     -4.763953      4.431616
  H      -8.280252     -6.092102      4.579624
  H      -8.267211     -4.998570      3.157051
  H      -9.133028     -2.759300      3.257854
  H      -9.076179     -0.306972      2.801948
  H      -5.851963      2.341437      5.382312
  H      -4.986811      1.573703      4.056129
  H      -5.851823     -2.288954      6.016314
  N      -0.661582      2.580099      3.459190
  H      -0.167077      2.808189      2.594836
88
Coordinates from ORCA-job orca E -6506.861796142966
  N      -1.148434      0.596182      5.583366
  Mo     -1.877494      2.244102      4.684681
  N      -3.714301      2.148742      5.635541
  C      -3.713451      2.657846      6.998264
  C      -2.345450      2.444949      7.634441
  N      -1.219375      2.875458      6.733045
  C       0.014844      2.091681      7.031867
  C      -0.255519      0.621380      6.703783
  C      -0.989802      4.363938      6.800044
  C      -1.106056      4.949507      5.388893
  N      -2.246003      4.299189      4.760543
  H       0.710976      0.115041      6.499617
  H      -0.688718      0.102364      7.587145
  H       0.806411      2.496434      6.387451
  H       0.309228      2.230519      8.085851
  H      -1.213044      6.045636      5.435628
  H      -0.196094      4.726747      4.809532
  H      -1.774175      4.784439      7.445430
  H      -0.017610      4.570396      7.273675
  H      -4.444712      2.116743      7.622144
  H      -4.004332      3.729187      7.038851
  H      -2.222958      1.373970      7.824781
  H      -2.254977      2.981294      8.593875
  C      -4.634434     -6.443039      3.761249
  C      -3.802390     -5.265264      4.213494
  O      -2.957432     -5.397245      5.095109
  C      -4.032517     -3.934784      3.566132
  C      -4.914275     -3.757938      2.483389
  C      -5.069152     -2.487369      1.921752
  C      -4.351810     -1.417403      2.426358
  F      -4.554087     -0.207655      1.851605
  C      -3.443561     -1.535496      3.516196
  C      -2.680015     -0.453663      4.068236
  O      -2.693465      0.739089      3.540958
  C      -1.790214     -0.653112      5.264846
  C      -3.332225     -2.837756      4.065578
  C      -6.979362     11.508220      3.059102
  C      -5.768884     10.601797      3.080874
  O      -4.689339     10.978801      2.637151
  C      -5.919520      9.227468      3.659080
  C      -7.124976      8.775009      4.223563
  C      -7.212746      7.494640      4.757847
  C      -6.091739      6.671036      4.728827
  F      -6.234597      5.434291      5.267966
  C      -4.868343      7.068362      4.165674
  C      -3.611515      6.234652      4.050833
  O      -2.714623      6.608077      3.308143
  C      -3.487515      4.984762      4.917665
  C      -4.820060      8.364569      3.635749
  C      -8.482534     -5.012667      4.223620
  C      -7.510216     -4.123602      4.967831
  O      -6.734993     -4.595498      5.795020
  C      -7.510147     -2.660962      4.663540
  C      -8.401554     -2.087256      3.740778
  C      -8.354449     -0.724314      3.472573
  C      -7.400258      0.057158      4.115702
  F      -7.399129      1.380918      3.823824
  C      -6.485138     -0.465690      5.042257
  C      -5.383178      0.296193      5.727925
  O      -4.827582     -0.193947      6.706381
  C      -4.970333      1.659583      5.162304
  C      -6.577374     -1.839837      5.304313
  H      -4.295063     -7.341958      4.286361
  H      -5.694059     -6.264581      3.996728
  H      -4.558887     -6.596165      2.674511
  H      -5.478793     -4.596245      2.077188
  H      -5.750140     -2.310922      1.088649
  H      -1.055911     -1.460758      5.043876
  H      -2.397995     -1.028384      6.120523
  H      -2.670081     -3.015839      4.912409
  H      -7.346451     11.694346      4.080095
  H      -7.805578     11.044356      2.499030
  H      -6.706595     12.459508      2.590736
  H      -8.002478      9.421055      4.251487
  H      -8.135629      7.117727      5.199052
  H      -3.718408      5.339944      5.952998
  H      -4.314166      4.306511      4.663520
  H      -3.885204      8.702251      3.186458
  H      -9.521530     -4.696792      4.402291
  H      -8.353867     -6.046181      4.562304
  H      -8.310538     -4.955995      3.137753
  H      -9.139064     -2.702749      3.225723
  H      -9.041290     -0.251914      2.770140
  H      -5.811560      2.350708      5.392751
  H      -4.954445      1.580976      4.064375
  H      -5.879212     -2.279499      6.016926
  N      -0.604805      2.604991      3.491730
  H      -0.103890      2.902218      2.652230
88
Coordinates from ORCA-job orca E -6506.862811669923
  N      -1.098366      0.581799      5.572064
  Mo     -1.835483      2.240632      4.698176
  N      -3.669114      2.129470      5.664734
  C      -3.659370      2.633046      7.028481
  C      -2.284568      2.424884      7.649370
  N      -1.167685      2.860612      6.738155
  C       0.069081      2.074480      7.024359
  C      -0.204193      0.604452      6.692276
  C      -0.939797      4.349444      6.812984
  C      -1.078035      4.951482      5.409951
  N      -2.217184      4.294561      4.785066
  H       0.761714      0.097757      6.487167
  H      -0.635185      0.085595      7.576381
  H       0.856249      2.481935      6.376551
  H       0.370382      2.206908      8.077179
  H      -1.200119      6.044782      5.475401
  H      -0.172603      4.749303      4.816767
  H      -1.716483      4.763294      7.471947
  H       0.037495      4.554272      7.276595
  H      -4.378769      2.083111      7.658992
  H      -3.960069      3.701525      7.080778
  H      -2.157561      1.354328      7.838469
  H      -2.186413      2.960118      8.608641
  C      -4.668189     -6.414774      3.746853
  C      -3.848100     -5.238497      4.224373
  O      -3.026153     -5.373862      5.126957
  C      -4.059262     -3.906492      3.573722
  C      -4.931449     -3.721602      2.484990
  C      -5.069327     -2.449254      1.922112
  C      -4.342348     -1.387217      2.429652
  F      -4.528252     -0.175715      1.852902
  C      -3.441066     -1.514262      3.523924
  C      -2.665611     -0.441167      4.076800
  O      -2.661497      0.751334      3.547257
  C      -1.790107     -0.648857      5.282763
  C      -3.349933     -2.816649      4.076358
  C      -7.086714     11.392354      2.963602
  C      -5.859540     10.509337      2.998790
  O      -4.793948     10.889907      2.525513
  C      -5.975662      9.153711      3.627470
  C      -7.164533      8.697605      4.223555
  C      -7.217680      7.435341      4.803299
  C      -6.080406      6.633560      4.787252
  F      -6.192893      5.414207      5.370773
  C      -4.871556      7.035418      4.195291
  C      -3.600064      6.225724      4.092521
  O      -2.701045      6.616704      3.360575
  C      -3.463390      4.970376      4.948707
  C      -4.858981      8.313698      3.620775
  C      -8.543805     -4.942817      4.173171
  C      -7.565270     -4.076085      4.935894
  O      -6.806682     -4.567441      5.767015
  C      -7.537661     -2.611500      4.642038
  C      -8.408091     -2.017579      3.711756
  C      -8.334864     -0.654193      3.452712
  C      -7.375851      0.107558      4.112289
  F      -7.350997      1.432917      3.830033
  C      -6.479955     -0.435847      5.045946
  C      -5.370221      0.303268      5.742553
  O      -4.824092     -0.202724      6.718435
  C      -4.934169      1.666379      5.189178
  C      -6.598704     -1.810042      5.298540
  H      -4.339283     -7.315626      4.275399
  H      -5.733844     -6.241816      3.957621
  H      -4.565084     -6.561643      2.661459
  H      -5.502445     -4.554243      2.076181
  H      -5.743647     -2.264566      1.085377
  H      -1.085880     -1.488744      5.090485
  H      -2.423487     -0.979998      6.139501
  H      -2.696016     -3.001208      4.928073
  H      -7.442415     11.607397      3.982959
  H      -7.912273     10.894848      2.431934
  H      -6.837972     12.331480      2.458709
  H      -8.054549      9.326814      4.240095
  H      -8.126164      7.055146      5.270866
  H      -3.696075      5.312016      5.988138
  H      -4.285450      4.287533      4.690110
  H      -3.935984      8.654579      3.149604
  H      -9.579161     -4.609629      4.341144
  H      -8.438152     -5.981264      4.504555
  H      -8.356827     -4.880225      3.090120
  H      -9.149410     -2.617414      3.184014
  H      -9.005187     -0.166268      2.744917
  H      -5.764644      2.368885      5.424886
  H      -4.919926      1.597285      4.090748
  H      -5.915735     -2.265530      6.016055
  N      -0.546030      2.637837      3.533466
  H      -0.042583      3.016225      2.728488
88
Coordinates from ORCA-job orca E -6506.863868436776
  N      -1.055221      0.568295      5.558098
  Mo     -1.795320      2.236769      4.708533
  N      -3.626700      2.111740      5.693229
  C      -3.608605      2.612682      7.057108
  C      -2.227725      2.405736      7.662789
  N      -1.120196      2.846329      6.741567
  C       0.118870      2.057669      7.014968
  C      -0.157510      0.588316      6.677964
  C      -0.893594      4.335061      6.823248
  C      -1.053207      4.951870      5.427816
  N      -2.192220      4.290561      4.806607
  H       0.806847      0.081094      6.468711
  H      -0.586877      0.067196      7.560696
  H       0.901527      2.466878      6.363007
  H       0.427851      2.183303      8.066317
  H      -1.187640      6.042815      5.510350
  H      -0.152161      4.767452      4.822955
  H      -1.662735      4.743018      7.494647
  H       0.089022      4.538521      7.276070
  H      -4.318854      2.057626      7.693883
  H      -3.914398      3.679725      7.119624
  H      -2.097401      1.334882      7.847703
  H      -2.120441      2.938406      8.622499
  C      -4.705644     -6.386886      3.740409
  C      -3.895942     -5.212421      4.239929
  O      -3.095467     -5.349532      5.161258
  C      -4.088733     -3.879735      3.584456
  C      -4.949627     -3.688292      2.488154
  C      -5.070526     -2.415673      1.921604
  C      -4.335523     -1.360231      2.431787
  F      -4.504661     -0.148080      1.851840
  C      -3.442891     -1.495266      3.531930
  C      -2.656616     -0.430343      4.085902
  O      -2.635316      0.761587      3.555301
  C      -1.794495     -0.643546      5.301930
  C      -3.371474     -2.796200      4.089790
  C      -7.187313     11.276999      2.877908
  C      -5.946653     10.413439      2.917528
  O      -4.897281     10.791573      2.407502
  C      -6.028963      9.080138      3.597786
  C      -7.198655      8.627251      4.232972
  C      -7.218519      7.386217      4.858762
  C      -6.068569      6.602196      4.848695
  F      -6.150726      5.403602      5.478179
  C      -4.877296      7.001867      4.220093
  C      -3.593767      6.211352      4.124281
  O      -2.698409      6.612397      3.393376
  C      -3.441479      4.958101      4.981321
  C      -4.898616      8.259105      3.600779
  C      -8.591131     -4.876109      4.116829
  C      -7.611565     -4.029292      4.901179
  O      -6.874939     -4.537908      5.741494
  C      -7.557183     -2.563324      4.617404
  C      -8.404946     -1.951947      3.677128
  C      -8.308446     -0.588344      3.427202
  C      -7.348902      0.155785      4.105797
  F      -7.303142      1.482563      3.833992
  C      -6.473363     -0.405631      5.048803
  C      -5.361601      0.314235      5.759326
  O      -4.831715     -0.201994      6.739022
  C      -4.899145      1.672850      5.213462
  C      -6.616136     -1.779587      5.291869
  H      -4.389038     -7.289603      4.273527
  H      -5.775742     -6.214880      3.928475
  H      -4.575723     -6.529846      2.657384
  H      -5.526055     -4.516038      2.076776
  H      -5.737030     -2.224883      1.079903
  H      -1.120585     -1.512498      5.137869
  H      -2.447596     -0.926902      6.161881
  H      -2.727238     -2.986083      4.947686
  H      -7.523766     11.523360      3.896775
  H      -8.016738     10.749829      2.382005
  H      -6.963007     12.200998      2.334892
  H      -8.098684      9.242295      4.243735
  H      -8.110913      7.008516      5.358425
  H      -3.666179      5.290543      6.024378
  H      -4.261669      4.271209      4.725420
  H      -3.989519      8.597974      3.101638
  H      -9.623735     -4.526804      4.268368
  H      -8.508950     -5.918158      4.443523
  H      -8.383193     -4.810395      3.037743
  H      -9.146869     -2.537844      3.134881
  H      -8.961332     -0.086748      2.712613
  H      -5.718150      2.389122      5.449444
  H      -4.881324      1.607243      4.115109
  H      -5.949677     -2.248758      6.016350
  N      -0.490206      2.670995      3.574268
  H       0.012618      3.132976      2.813304
88
Coordinates from ORCA-job orca E -6506.864838177844
  N      -1.016482      0.556293      5.543993
  Mo     -1.756185      2.233175      4.718704
  N      -3.585260      2.095630      5.721713
  C      -3.561659      2.592267      7.086056
  C      -2.176065      2.382789      7.678255
  N      -1.077680      2.830638      6.749146
  C       0.163964      2.040384      7.008962
  C      -0.113904      0.572498      6.663427
  C      -0.854071      4.319477      6.839504
  C      -1.031002      4.951290      5.451683
  N      -2.167241      4.286656      4.829007
  H       0.848976      0.066567      6.446665
  H      -0.541753      0.045004      7.542031
  H       0.942074      2.453150      6.353987
  H       0.479938      2.157845      8.059123
  H      -1.176854      6.039808      5.550561
  H      -0.131363      4.784482      4.840385
  H      -1.617509      4.719641      7.521903
  H       0.132924      4.522090      7.283011
  H      -4.266654      2.032830      7.725029
  H      -3.868744      3.658781      7.158604
  H      -2.043039      1.310537      7.853646
  H      -2.059259      2.909136      8.640278
  C      -4.747342     -6.356895      3.728008
  C      -3.941741     -5.187386      4.245983
  O      -3.159403     -5.328806      5.181988
  C      -4.115462     -3.853040      3.587866
  C      -4.965357     -3.653044      2.484550
  C      -5.069647     -2.379952      1.916265
  C      -4.326943     -1.331693      2.430620
  F      -4.480332     -0.117938      1.850548
  C      -3.442754     -1.476608      3.536381
  C      -2.647208     -0.420273      4.093591
  O      -2.608370      0.771381      3.562906
  C      -1.799462     -0.636643      5.321306
  C      -3.390024     -2.776799      4.097568
  C      -7.287242     11.154072      2.789345
  C      -6.033140     10.310178      2.830815
  O      -5.003276     10.680636      2.277273
  C      -6.079084      9.004357      3.566085
  C      -7.226904      8.560468      4.245946
  C      -7.213448      7.345160      4.920383
  C      -6.052712      6.577098      4.913395
  F      -6.102545      5.403999      5.592430
  C      -4.881858      6.968937      4.242772
  C      -3.587070      6.194782      4.151618
  O      -2.700307      6.598088      3.412315
  C      -3.419300      4.947019      5.015011
  C      -4.936441      8.200656      3.575975
  C      -8.631700     -4.810857      4.070667
  C      -7.651229     -3.979937      4.871191
  O      -6.931900     -4.502392      5.717996
  C      -7.573409     -2.513478      4.594960
  C      -8.402840     -1.887088      3.648109
  C      -8.286481     -0.523480      3.405996
  C      -7.325463      0.205062      4.099045
  F      -7.261960      1.532889      3.835959
  C      -6.466156     -0.372199      5.048346
  C      -5.353467      0.329871      5.772723
  O      -4.839038     -0.198071      6.754685
  C      -4.864247      1.682023      5.235108
  C      -6.629416     -1.745465      5.282847
  H      -4.445121     -7.263007      4.263937
  H      -5.819684     -6.179610      3.898387
  H      -4.596476     -6.496700      2.647353
  H      -5.547442     -4.475053      2.069294
  H      -5.728870     -2.182661      1.070244
  H      -1.155057     -1.531454      5.185915
  H      -2.468117     -0.868976      6.184414
  H      -2.755313     -2.973336      4.961061
  H      -7.599823     11.437523      3.806220
  H      -8.121522     10.595756      2.337890
  H      -7.091002     12.058024      2.203257
  H      -8.135861      9.162276      4.253608
  H      -8.088062      6.975236      5.456165
  H      -3.632137      5.274319      6.060568
  H      -4.238765      4.256954      4.764687
  H      -4.043435      8.532888      3.044202
  H      -9.661657     -4.448437      4.208990
  H      -8.568217     -5.854961      4.395068
  H      -8.407098     -4.744825      2.994844
  H      -9.146231     -2.460566      3.094641
  H      -8.925382     -0.010014      2.687138
  H      -5.670684      2.412400      5.472307
  H      -4.841436      1.620270      4.136747
  H      -5.976549     -2.226267      6.012271
  N      -0.434493      2.702798      3.617996
  H       0.067591      3.244306      2.910291
88
Coordinates from ORCA-job orca E -6506.865565206693
  N      -0.981785      0.546930      5.526364
  Mo     -1.722728      2.230807      4.726897
  N      -3.546777      2.079905      5.748092
  C      -3.521324      2.571428      7.112891
  C      -2.132562      2.357290      7.694057
  N      -1.043298      2.814451      6.759230
  C       0.201952      2.024240      7.003604
  C      -0.073660      0.558380      6.644807
  C      -0.825293      4.303870      6.860556
  C      -1.017592      4.951244      5.480988
  N      -2.147752      4.282180      4.851776
  H       0.889026      0.057652      6.417781
  H      -0.498188      0.020173      7.517437
  H       0.974765      2.444288      6.347207
  H       0.524483      2.131942      8.052814
  H      -1.175999      6.036659      5.595813
  H      -0.116432      4.804405      4.867494
  H      -1.583407      4.693191      7.554867
  H       0.165804      4.506618      7.294511
  H      -4.224370      2.007777      7.750270
  H      -3.827485      3.637929      7.193534
  H      -1.997638      1.283143      7.856323
  H      -2.006470      2.874314      8.659814
  C      -4.793173     -6.325207      3.709488
  C      -3.988783     -5.161880      4.243736
  O      -3.222224     -5.309698      5.191552
  C      -4.141738     -3.825636      3.583843
  C      -4.981503     -3.615695      2.474559
  C      -5.068622     -2.341949      1.905741
  C      -4.317149     -1.301923      2.424286
  F      -4.454726     -0.086086      1.845310
  C      -3.440301     -1.457764      3.534749
  C      -2.636983     -0.410081      4.096216
  O      -2.581415      0.781753      3.565314
  C      -1.804276     -0.627293      5.335964
  C      -3.406685     -2.757834      4.097990
  C      -7.371055     11.039771      2.705079
  C      -6.106230     10.211973      2.749765
  O      -5.091720     10.574755      2.163886
  C      -6.121120      8.934233      3.534161
  C      -7.250966      8.501135      4.250175
  C      -7.210621      7.311626      4.967988
  C      -6.040709      6.557813      4.967890
  F      -6.063180      5.410353      5.690965
  C      -4.886584      6.940210      4.263854
  C      -3.581127      6.180473      4.179894
  O      -2.697695      6.589895      3.440779
  C      -3.403281      4.935422      5.046211
  C      -4.967693      8.146126      3.554209
  C      -8.661386     -4.756439      4.043230
  C      -7.679579     -3.936644      4.853212
  O      -6.971107     -4.468362      5.703458
  C      -7.583401     -2.470625      4.580937
  C      -8.399605     -1.832148      3.630888
  C      -8.266752     -0.468850      3.394219
  C      -7.302592      0.246632      4.096149
  F      -7.222335      1.574801      3.838189
  C      -6.455636     -0.343505      5.048773
  C      -5.341013      0.343204      5.783772
  O      -4.841904     -0.193863      6.768989
  C      -4.830904      1.689093      5.254290
  C      -6.635380     -1.715512      5.277132
  H      -4.505729     -7.235021      4.247238
  H      -5.866518     -6.140374      3.864542
  H      -4.626139     -6.462637      2.631043
  H      -5.570338     -4.430869      2.055310
  H      -5.721422     -2.137827      1.056383
  H      -1.188313     -1.544816      5.230021
  H      -2.485718     -0.807631      6.200778
  H      -2.781068     -2.961645      4.966345
  H      -7.665264     11.356202      3.717689
  H      -8.207638     10.455894      2.292303
  H      -7.198333     11.924078      2.082774
  H      -8.167667      9.090963      4.252601
  H      -8.070921      6.951346      5.532678
  H      -3.607840      5.258893      6.093384
  H      -4.221619      4.243529      4.798006
  H      -4.087983      8.470254      2.996013
  H      -9.688956     -4.384213      4.172517
  H      -8.610811     -5.801139      4.368017
  H      -8.426124     -4.692558      2.969521
  H      -9.145652     -2.395208      3.070238
  H      -8.895230      0.054128      2.673081
  H      -5.626484      2.430913      5.493836
  H      -4.804259      1.631691      4.155771
  H      -5.992277     -2.205516      6.009040
  N      -0.385682      2.735899      3.659993
  H       0.113508      3.347057      3.008649
88
Coordinates from ORCA-job orca E -6506.865980566540
  N      -0.948916      0.537459      5.506563
  Mo     -1.695442      2.228555      4.738329
  N      -3.508342      2.067995      5.785880
  C      -3.477010      2.553273      7.151158
  C      -2.085183      2.327273      7.717500
  N      -1.008545      2.794739      6.775110
  C       0.241275      2.005228      6.997244
  C      -0.029652      0.542397      6.619342
  C      -0.796845      4.284434      6.890790
  C      -1.007365      4.949992      5.522125
  N      -2.130737      4.276971      4.884117
  H       0.933722      0.052651      6.374440
  H      -0.443654     -0.012409      7.485522
  H       1.006438      2.437092      6.339727
  H       0.573021      2.099529      8.044927
  H      -1.179482      6.031175      5.655400
  H      -0.104380      4.827508      4.906456
  H      -1.547230      4.660222      7.600584
  H       0.199464      4.486694      7.312653
  H      -4.179960      1.988286      7.787283
  H      -3.776365      3.621232      7.239753
  H      -1.951569      1.250288      7.861281
  H      -1.944744      2.830097      8.688608
  C      -4.829814     -6.297368      3.674854
  C      -4.020132     -5.143003      4.220940
  O      -3.264872     -5.300281      5.176150
  C      -4.159142     -3.802249      3.567272
  C      -4.996563     -3.579018      2.458805
  C      -5.073899     -2.301629      1.897586
  C      -4.314260     -1.270581      2.421899
  F      -4.443854     -0.049843      1.851779
  C      -3.437661     -1.440148      3.531046
  C      -2.629052     -0.400777      4.098637
  O      -2.563654      0.793564      3.571227
  C      -1.803865     -0.620717      5.344319
  C      -3.414994     -2.743662      4.087554
  C      -7.449984     10.914891      2.604817
  C      -6.171025     10.110384      2.670973
  O      -5.168101     10.465366      2.061033
  C      -6.161358      8.858242      3.495571
  C      -7.280325      8.430619      4.231646
  C      -7.218320      7.265752      4.987355
  C      -6.036930      6.530506      5.004658
  F      -6.037315      5.405829      5.763148
  C      -4.892560      6.909087      4.283319
  C      -3.572952      6.169676      4.218977
  O      -2.687403      6.589971      3.489069
  C      -3.389682      4.924006      5.084327
  C      -4.995239      8.089523      3.535065
  C      -8.691105     -4.691536      4.018336
  C      -7.702525     -3.885651      4.833296
  O      -7.000032     -4.428598      5.681563
  C      -7.594748     -2.418399      4.572951
  C      -8.404195     -1.764731      3.627839
  C      -8.259297     -0.400431      3.403095
  C      -7.290068      0.300662      4.112311
  F      -7.196750      1.630310      3.865235
  C      -6.450385     -0.305007      5.061361
  C      -5.332272      0.364667      5.807390
  O      -4.840747     -0.190035      6.786920
  C      -4.800741      1.705072      5.289277
  C      -6.641596     -1.677230      5.277006
  H      -4.555040     -7.212025      4.210853
  H      -5.902682     -6.103142      3.821911
  H      -4.656033     -6.431447      2.597132
  H      -5.592194     -4.386686      2.034696
  H      -5.726251     -2.088222      1.050224
  H      -1.212162     -1.555195      5.259739
  H      -2.490375     -0.758938      6.212171
  H      -2.792398     -2.957327      4.955619
  H      -7.743092     11.262665      3.607350
  H      -8.279107     10.302575      2.219074
  H      -7.296123     11.778849      1.949925
  H      -8.206441      9.005383      4.221105
  H      -8.070128      6.911150      5.568166
  H      -3.589269      5.245145      6.132424
  H      -4.207042      4.231150      4.835931
  H      -4.123226      8.410180      2.963125
  H      -9.715320     -4.310347      4.147682
  H      -8.650247     -5.737886      4.339232
  H      -8.453760     -4.625631      2.945229
  H      -9.154147     -2.316222      3.060790
  H      -8.882070      0.134030      2.685488
  H      -5.582799      2.458424      5.537795
  H      -4.776623      1.657441      4.190211
  H      -6.003498     -2.178630      6.005433
  N      -0.347469      2.769382      3.702009
  H       0.144048      3.439890      3.105023
88
Coordinates from ORCA-job orca E -6506.866102721470
  N      -0.945005      0.534486      5.496636
  Mo     -1.693315      2.226829      4.737347
  N      -3.499033      2.066033      5.797252
  C      -3.466978      2.553785      7.161242
  C      -2.074718      2.320787      7.723335
  N      -1.003310      2.789880      6.777205
  C       0.247775      2.000694      6.991191
  C      -0.021192      0.538713      6.606921
  C      -0.793319      4.279841      6.895837
  C      -1.011981      4.950708      5.531122
  N      -2.130928      4.273958      4.888811
  H       0.943045      0.054660      6.354943
  H      -0.429949     -0.022210      7.471210
  H       1.010323      2.436884      6.333499
  H       0.582891      2.090412      8.038286
  H      -1.191663      6.029724      5.670269
  H      -0.107132      4.840546      4.915806
  H      -1.538158      4.651506      7.613486
  H       0.206251      4.481693      7.310087
  H      -4.172778      1.992460      7.797344
  H      -3.760165      3.623595      7.247751
  H      -1.943821      1.242376      7.859902
  H      -1.926938      2.817345      8.696562
  C      -4.841561     -6.292391      3.662862
  C      -4.040236     -5.137164      4.219384
  O      -3.287689     -5.297232      5.176280
  C      -4.173116     -3.796159      3.565312
  C      -5.007219     -3.570665      2.454769
  C      -5.080009     -2.292810      1.893950
  C      -4.318914     -1.263977      2.420137
  F      -4.443700     -0.043017      1.849268
  C      -3.444527     -1.435942      3.531114
  C      -2.635568     -0.398673      4.100441
  O      -2.565287      0.795600      3.570666
  C      -1.813853     -0.616787      5.348862
  C      -3.427286     -2.739816      4.087474
  C      -7.454675     10.903887      2.594589
  C      -6.179345     10.092971      2.651875
  O      -5.171936     10.455704      2.053989
  C      -6.168326      8.843366      3.480059
  C      -7.288163      8.414843      4.214118
  C      -7.225450      7.253014      4.974532
  C      -6.041659      6.521928      4.998737
  F      -6.040172      5.400540      5.762073
  C      -4.896090      6.902073      4.280379
  C      -3.571949      6.169051      4.225917
  O      -2.675770      6.606307      3.519330
  C      -3.391827      4.918986      5.085788
  C      -4.999355      8.079179      3.527088
  C      -8.682957     -4.687090      4.017518
  C      -7.698805     -3.881404      4.837576
  O      -6.994379     -4.425640      5.683444
  C      -7.589184     -2.414273      4.577337
  C      -8.396710     -1.758763      3.631999
  C      -8.250178     -0.394370      3.408524
  C      -7.280701      0.304940      4.119094
  F      -7.183887      1.634692      3.873167
  C      -6.443164     -0.302530      5.068186
  C      -5.324141      0.365559      5.815629
  O      -4.841929     -0.185388      6.801804
  C      -4.792679      1.706263      5.299944
  C      -6.635700     -1.674593      5.282860
  H      -4.568287     -7.207809      4.198206
  H      -5.916238     -6.102026      3.801219
  H      -4.660073     -6.422597      2.585883
  H      -5.603609     -4.376657      2.028645
  H      -5.730103     -2.078141      1.045188
  H      -1.233314     -1.558825      5.276569
  H      -2.501847     -0.734860      6.218357
  H      -2.807317     -2.955009      4.957070
  H      -7.746447     11.242649      3.600650
  H      -8.286471     10.299174      2.202591
  H      -7.297147     11.773817      1.948573
  H      -8.216225      8.986405      4.198749
  H      -8.078183      6.898379      5.553908
  H      -3.594947      5.240062      6.133587
  H      -4.208024      4.226756      4.833580
  H      -4.126176      8.401588      2.958042
  H      -9.708117     -4.307394      4.143404
  H      -8.641503     -5.733776      4.337291
  H      -8.442016     -4.619416      2.945309
  H      -9.146894     -2.308795      3.063753
  H      -8.871705      0.141289      2.690743
  H      -5.574170      2.460305      5.548770
  H      -4.769426      1.659634      4.200733
  H      -5.998687     -2.177155      6.011354
  N      -0.340150      2.779177      3.713544
  H       0.142908      3.470789      3.133905
88
Coordinates from ORCA-job orca E -6506.866202877241
  N      -0.949466      0.531948      5.496726
  Mo     -1.695120      2.226952      4.741502
  N      -3.495892      2.072506      5.809805
  C      -3.460385      2.562134      7.173028
  C      -2.068559      2.318446      7.732286
  N      -0.999202      2.785534      6.783926
  C       0.250135      1.993260      6.992671
  C      -0.021416      0.532792      6.603683
  C      -0.784839      4.274730      6.904608
  C      -1.005365      4.949795      5.542413
  N      -2.124300      4.274943      4.898396
  H       0.942378      0.051198      6.345482
  H      -0.426076     -0.031886      7.467216
  H       1.012901      2.430845      6.336176
  H       0.586739      2.078036      8.039778
  H      -1.186225      6.027901      5.685344
  H      -0.100105      4.844933      4.926451
  H      -1.525356      4.647001      7.626340
  H       0.216946      4.472269      7.315615
  H      -4.170477      2.007240      7.809977
  H      -3.744274      3.634552      7.257432
  H      -1.943934      1.238424      7.863130
  H      -1.913724      2.808962      8.707517
  C      -4.848232     -6.288697      3.642120
  C      -4.045051     -5.135942      4.200817
  O      -3.296062     -5.298828      5.160075
  C      -4.178496     -3.792547      3.552227
  C      -5.011695     -3.563660      2.441695
  C      -5.084623     -2.283413      1.886096
  C      -4.325375     -1.256115      2.417515
  F      -4.449946     -0.033369      1.850128
  C      -3.452264     -1.431159      3.529280
  C      -2.645042     -0.395628      4.103120
  O      -2.574653      0.800330      3.575509
  C      -1.822196     -0.617083      5.349726
  C      -3.434740     -2.737648      4.079739
  C      -7.469985     10.875989      2.567363
  C      -6.189330     10.074438      2.635395
  O      -5.187343     10.430758      2.024592
  C      -6.173126      8.829426      3.470149
  C      -7.291050      8.400766      4.206874
  C      -7.223406      7.244337      4.975150
  C      -6.036474      6.518613      5.003790
  F      -6.029379      5.402450      5.774665
  C      -4.892445      6.899373      4.283365
  C      -3.564466      6.173387      4.236703
  O      -2.667496      6.612924      3.532203
  C      -3.384641      4.921457      5.093967
  C      -5.000610      8.070852      3.522023
  C      -8.676302     -4.678642      4.016551
  C      -7.689665     -3.875355      4.835790
  O      -6.985958     -4.420837      5.681421
  C      -7.583329     -2.407011      4.581061
  C      -8.392982     -1.749050      3.639295
  C      -8.249224     -0.383610      3.420921
  C      -7.280118      0.314722      4.132994
  F      -7.185953      1.645745      3.892776
  C      -6.440646     -0.295037      5.078512
  C      -5.321636      0.372740      5.827778
  O      -4.836723     -0.181578      6.810528
  C      -4.791374      1.714983      5.314705
  C      -6.630260     -1.668209      5.288424
  H      -4.578656     -7.204795      4.178077
  H      -5.923043     -6.096076      3.776368
  H      -4.664838     -6.419264      2.565445
  H      -5.606310     -4.368595      2.011255
  H      -5.733496     -2.066223      1.037065
  H      -1.244862     -1.560924      5.277271
  H      -2.508720     -0.732952      6.220643
  H      -2.815051     -2.955580      4.948872
  H      -7.764973     11.224483      3.569085
  H      -8.297642     10.261436      2.181724
  H      -7.317568     11.739273      1.911313
  H      -8.221665      8.968069      4.187668
  H      -8.074621      6.890209      5.557013
  H      -3.587414      5.246345      6.141177
  H      -4.201621      4.229556      4.844249
  H      -4.128734      8.394113      2.951554
  H      -9.700677     -4.297526      4.144511
  H      -8.635620     -5.725823      4.334778
  H      -8.437436     -4.609713      2.943990
  H      -9.142949     -2.298133      3.069851
  H      -8.872759      0.153545      2.706020
  H      -5.572246      2.468512      5.566554
  H      -4.772171      1.671180      4.215244
  H      -5.991578     -2.172391      6.014292
  N      -0.338093      2.777162      3.720934
  H       0.138295      3.474207      3.142244
88
Coordinates from ORCA-job orca E -6506.866255804748
  N      -0.955741      0.531601      5.500800
  Mo     -1.700471      2.227537      4.745254
  N      -3.498375      2.077243      5.816633
  C      -3.460180      2.567004      7.179915
  C      -2.068421      2.317927      7.737315
  N      -0.999955      2.784490      6.788315
  C       0.248163      1.990699      6.994971
  C      -0.025490      0.530778      6.605192
  C      -0.781952      4.273066      6.908637
  C      -1.002828      4.949256      5.547026
  N      -2.122764      4.276098      4.904132
  H       0.938049      0.049969      6.344242
  H      -0.427657     -0.034495      7.469477
  H       1.011655      2.428213      6.339346
  H       0.585153      2.073058      8.042186
  H      -1.183381      6.027217      5.690707
  H      -0.098381      4.845648      4.929340
  H      -1.519285      4.647715      7.632372
  H       0.221193      4.467603      7.317708
  H      -4.172583      2.016222      7.817736
  H      -3.738538      3.640657      7.263393
  H      -1.947469      1.237025      7.864820
  H      -1.909865      2.804322      8.714053
  C      -4.836806     -6.292696      3.625443
  C      -4.032625     -5.140587      4.183708
  O      -3.278830     -5.305901      5.138805
  C      -4.171825     -3.795218      3.540848
  C      -5.007656     -3.565097      2.432639
  C      -5.085637     -2.282548      1.882715
  C      -4.329387     -1.254908      2.417369
  F      -4.460101     -0.030138      1.855412
  C      -3.454409     -1.430782      3.527484
  C      -2.650425     -0.394801      4.104645
  O      -2.584422      0.803131      3.580228
  C      -1.824900     -0.618990      5.348118
  C      -3.431656     -2.739737      4.071858
  C      -7.468107     10.871388      2.555658
  C      -6.187932     10.069367      2.625152
  O      -5.185521     10.424927      2.014526
  C      -6.172027      8.826113      3.462365
  C      -7.291459      8.396908      4.196330
  C      -7.224082      7.241716      4.966489
  C      -6.036012      6.518126      4.999884
  F      -6.029744      5.403284      5.772593
  C      -4.890029      6.899747      4.282552
  C      -3.561193      6.176578      4.241100
  O      -2.661193      6.619163      3.541801
  C      -3.382609      4.923584      5.096389
  C      -4.998201      8.070019      3.519216
  C      -8.677635     -4.674618      4.020008
  C      -7.687066     -3.873591      4.836869
  O      -6.978446     -4.421325      5.676795
  C      -7.584502     -2.404115      4.587219
  C      -8.399164     -1.744151      3.651187
  C      -8.259202     -0.377719      3.437457
  C      -7.288841      0.320092      4.148397
  F      -7.200039      1.652484      3.913873
  C      -6.444135     -0.291635      5.088087
  C      -5.324876      0.376395      5.837554
  O      -4.832130     -0.182901      6.813486
  C      -4.795139      1.719550      5.324778
  C      -6.629987     -1.666040      5.293554
  H      -4.565019     -7.209274      4.159384
  H      -5.911749     -6.102004      3.761325
  H      -4.656055     -6.421503      2.548054
  H      -5.599852     -4.370436      1.999774
  H      -5.736404     -2.063955      1.035541
  H      -1.244526     -1.560555      5.270616
  H      -2.509549     -0.742814      6.219574
  H      -2.810049     -2.958613      4.939360
  H      -7.765114     11.219010      3.557043
  H      -8.295224     10.257545      2.167779
  H      -7.314165     11.735122      1.900590
  H      -8.222992      8.962468      4.172763
  H      -8.076537      6.887078      5.546160
  H      -3.586843      5.252561      6.142653
  H      -4.199546      4.231103      4.848993
  H      -4.125287      8.394085      2.950833
  H      -9.701386     -4.294265      4.154834
  H      -8.634959     -5.723078      4.333631
  H      -8.444779     -4.601112      2.946463
  H      -9.150206     -2.292662      3.082728
  H      -8.887072      0.160637      2.727303
  H      -5.575390      2.472221      5.579839
  H      -4.780603      1.678243      4.225203
  H      -5.988234     -2.171687      6.015671
  N      -0.340836      2.772154      3.723164
  H       0.127090      3.468286      3.136298
88
Coordinates from ORCA-job orca E -6506.866301063307
  N      -0.960496      0.533638      5.501354
  Mo     -1.703830      2.232004      4.748966
  N      -3.500051      2.080293      5.820729
  C      -3.460953      2.567713      7.185083
  C      -2.069269      2.314759      7.741051
  N      -1.000472      2.782946      6.793403
  C       0.246331      1.986895      6.997634
  C      -0.029588      0.528316      6.604299
  C      -0.778873      4.270542      6.916151
  C      -0.999650      4.950426      5.556269
  N      -2.120625      4.280686      4.913129
  H       0.933430      0.047395      6.341205
  H      -0.431335     -0.038529      7.467785
  H       1.011227      2.424975      6.344133
  H       0.582965      2.064724      8.045344
  H      -1.179376      6.028201      5.702581
  H      -0.096148      4.848104      4.936818
  H      -1.513215      4.646358      7.642343
  H       0.225593      4.461372      7.323722
  H      -4.175207      2.018851      7.822280
  H      -3.735618      3.642029      7.269702
  H      -1.950935      1.233048      7.863876
  H      -1.908610      2.795947      8.720091
  C      -4.841631     -6.284480      3.610196
  C      -4.033764     -5.134214      4.166718
  O      -3.271703     -5.303704      5.114508
  C      -4.178282     -3.786202      3.530708
  C      -5.020575     -3.552085      2.428264
  C      -5.101433     -2.267155      1.883872
  C      -4.342040     -1.241622      2.418049
  F      -4.476939     -0.014537      1.861933
  C      -3.460793     -1.421500      3.522453
  C      -2.654909     -0.387847      4.100854
  O      -2.591477      0.812739      3.581476
  C      -1.826934     -0.617314      5.340907
  C      -3.435760     -2.732519      4.061710
  C      -7.466228     10.865564      2.538365
  C      -6.185041     10.065896      2.614347
  O      -5.183117     10.418098      2.000912
  C      -6.169655      8.825219      3.455374
  C      -7.291269      8.395130      4.185405
  C      -7.224203      7.241727      4.958292
  C      -6.034558      6.521089      4.998389
  F      -6.029332      5.408255      5.773951
  C      -4.886062      6.903799      4.285267
  C      -3.556084      6.183576      4.250141
  O      -2.652207      6.630068      3.557946
  C      -3.380113      4.928498      5.102179
  C      -4.994248      8.072285      3.519073
  C      -8.672219     -4.683273      4.030649
  C      -7.681044     -3.882182      4.847007
  O      -6.973461     -4.429405      5.687945
  C      -7.576847     -2.413218      4.594955
  C      -8.390761     -1.754246      3.657487
  C      -8.250913     -0.388091      3.442480
  C      -7.281536      0.310577      4.153933
  F      -7.192876      1.642796      3.918424
  C      -6.437029     -0.300248      5.094448
  C      -5.318789      0.370008      5.843287
  O      -4.828981     -0.183340      6.824035
  C      -4.795693      1.716328      5.330981
  C      -6.622674     -1.674522      5.301193
  H      -4.567795     -7.202149      4.141182
  H      -5.916018     -6.094311      3.750233
  H      -4.665490     -6.411407      2.531779
  H      -5.614980     -4.355868      1.995628
  H      -5.756905     -2.045034      1.041266
  H      -1.244269     -1.556930      5.256669
  H      -2.509921     -0.749772      6.212632
  H      -2.809712     -2.954269      4.925267
  H      -7.767680     11.215190      3.537668
  H      -8.290888     10.249435      2.148888
  H      -7.311348     11.727732      1.881461
  H      -8.224028      8.958320      4.155994
  H      -8.078276      6.886342      5.535079
  H      -3.586293      5.259493      6.147961
  H      -4.196881      4.235901      4.855310
  H      -4.119805      8.397229      2.953539
  H      -9.695437     -4.301081      4.164242
  H      -8.631594     -5.731470      4.345308
  H      -8.438569     -4.611235      2.957190
  H      -9.141269     -2.303467      3.089112
  H      -8.878401      0.149290      2.731280
  H      -5.579082      2.465172      5.587628
  H      -4.783596      1.676200      4.231404
  H      -5.982008     -2.179514      6.024742
  N      -0.341012      2.774118      3.728307
  H       0.114780      3.473928      3.135907
88
Coordinates from ORCA-job orca E -6506.866343764403
  N      -0.958143      0.532902      5.504786
  Mo     -1.698614      2.231688      4.751098
  N      -3.496432      2.080430      5.820979
  C      -3.458140      2.570348      7.184379
  C      -2.067505      2.316614      7.741860
  N      -0.996721      2.782601      6.795383
  C       0.248813      1.984771      7.001627
  C      -0.028705      0.526262      6.608796
  C      -0.773259      4.269692      6.917480
  C      -0.993632      4.949552      5.557472
  N      -2.114851      4.280596      4.914328
  H       0.933687      0.043227      6.347246
  H      -0.432750     -0.039333      7.472097
  H       1.015371      2.421063      6.348918
  H       0.584147      2.062249      8.049813
  H      -1.172988      6.027469      5.704045
  H      -0.090335      4.846573      4.937948
  H      -1.506890      4.646969      7.643735
  H       0.231547      4.459580      7.324738
  H      -4.173966      2.024261      7.822036
  H      -3.731117      3.645475      7.266864
  H      -1.950875      1.234877      7.865699
  H      -1.907250      2.798375      8.720745
  C      -4.843613     -6.281283      3.605868
  C      -4.034562     -5.132258      4.163360
  O      -3.272016     -5.303283      5.110525
  C      -4.178473     -3.783395      3.528857
  C      -5.019352     -3.548024      2.425562
  C      -5.098608     -2.262752      1.881770
  C      -4.339163     -1.238008      2.417463
  F      -4.471853     -0.010615      1.861408
  C      -3.459110     -1.419182      3.522551
  C      -2.652069     -0.386649      4.101621
  O      -2.587106      0.814261      3.583161
  C      -1.824797     -0.617398      5.341974
  C      -3.435503     -2.730549      4.061132
  C      -7.477410     10.849600      2.533523
  C      -6.195617     10.050446      2.605364
  O      -5.195394     10.403781      1.989790
  C      -6.175351      8.812978      3.451201
  C      -7.294820      8.381953      4.184099
  C      -7.223128      7.231184      4.960516
  C      -6.031259      6.514283      5.001489
  F      -6.021619      5.404301      5.781121
  C      -4.884707      6.898095      4.285821
  C      -3.553096      6.181186      4.251234
  O      -2.649212      6.630659      3.561002
  C      -3.374692      4.927091      5.104091
  C      -4.997640      8.063789      3.515983
  C      -8.679772     -4.673832      4.028814
  C      -7.685526     -3.875023      4.843888
  O      -6.975633     -4.424638      5.681332
  C      -7.580678     -2.405604      4.594388
  C      -8.395941     -1.744465      3.659603
  C      -8.255212     -0.378058      3.446447
  C      -7.283870      0.318625      4.157187
  F      -7.195033      1.651093      3.923519
  C      -6.438088     -0.294430      5.095374
  C      -5.318375      0.373316      5.843509
  O      -4.828195     -0.181563      6.823314
  C      -4.792087      1.718044      5.330432
  C      -6.624762     -1.668876      5.300189
  H      -4.572156     -7.199367      4.137468
  H      -5.918039     -6.089565      3.743659
  H      -4.665011     -6.408695      2.527846
  H      -5.613791     -4.351232      1.991745
  H      -5.752859     -2.039457      1.038462
  H      -1.241971     -1.556936      5.256881
  H      -2.508402     -0.751363      6.213124
  H      -2.810114     -2.953543      4.924888
  H      -7.776762     11.198187      3.533867
  H      -8.302590     10.233226      2.145411
  H      -7.324729     11.712332      1.876780
  H      -8.229247      8.942406      4.154060
  H      -8.075327      6.875065      5.539723
  H      -3.579405      5.258810      6.150004
  H      -4.191140      4.233101      4.859694
  H      -4.124774      8.389524      2.948357
  H      -9.702411     -4.291416      4.166519
  H      -8.638862     -5.722835      4.340795
  H      -8.449256     -4.599365      2.954783
  H      -9.147776     -2.292224      3.091486
  H      -8.883507      0.160968      2.737148
  H      -5.574368      2.468414      5.586754
  H      -4.779237      1.677775      4.230965
  H      -5.983094     -2.175782      6.021594
  N      -0.331663      2.773509      3.735105
  H       0.116080      3.479903      3.144074
88
Coordinates from ORCA-job orca E -6506.866408813517
  N      -0.952454      0.532653      5.504942
  Mo     -1.692962      2.232577      4.756406
  N      -3.490488      2.075264      5.827932
  C      -3.449982      2.562940      7.191700
  C      -2.058487      2.310777      7.746063
  N      -0.988956      2.779129      6.799365
  C       0.256944      1.980601      7.002681
  C      -0.022236      0.522567      6.608333
  C      -0.766925      4.265822      6.924733
  C      -0.991366      4.949335      5.567167
  N      -2.111957      4.280875      4.922079
  H       0.938626      0.037305      6.345668
  H      -0.427374     -0.043259      7.471107
  H       1.022457      2.416887      6.348813
  H       0.593982      2.056419      8.050417
  H      -1.172164      6.026599      5.717801
  H      -0.088790      4.848787      4.946727
  H      -1.499103      4.640451      7.653886
  H       0.238730      4.456385      7.329553
  H      -4.163845      2.015273      7.830095
  H      -3.724652      3.637617      7.277070
  H      -1.940113      1.229069      7.868484
  H      -1.897857      2.791934      8.725183
  C      -4.848883     -6.272612      3.591954
  C      -4.037816     -5.126385      4.152501
  O      -3.270617     -5.301956      5.095054
  C      -4.181965     -3.775119      3.522927
  C      -5.024373     -3.535448      2.421659
  C      -5.102758     -2.248881      1.881188
  C      -4.341016     -1.226522      2.418325
  F      -4.472122      0.002585      1.865585
  C      -3.459568     -1.411961      3.521494
  C      -2.648976     -0.382247      4.100839
  O      -2.583022      0.820222      3.586044
  C      -1.818908     -0.617196      5.339146
  C      -3.436123     -2.724799      4.056623
  C      -7.486605     10.827939      2.512550
  C      -6.203992     10.030106      2.586038
  O      -5.203809     10.383292      1.970439
  C      -6.181471      8.797153      3.438656
  C      -7.301745      8.364920      4.169830
  C      -7.227609      7.218176      4.951885
  C      -6.032925      6.506530      5.000625
  F      -6.021565      5.400802      5.786382
  C      -4.885476      6.891625      4.287069
  C      -3.550914      6.179846      4.259780
  O      -2.644269      6.633833      3.576329
  C      -3.372848      4.925456      5.112272
  C      -5.001062      8.053087      3.511179
  C      -8.685455     -4.663794      4.028279
  C      -7.688484     -3.867670      4.842735
  O      -6.975350     -4.420501      5.675375
  C      -7.584041     -2.397353      4.598170
  C      -8.401022     -1.733168      3.667096
  C      -8.259870     -0.366069      3.457847
  C      -7.286724      0.327957      4.168667
  F      -7.197463      1.660848      3.937786
  C      -6.439577     -0.288223      5.103860
  C      -5.318298      0.375487      5.851454
  O      -4.827168     -0.182637      6.829155
  C      -4.787880      1.718118      5.338569
  C      -6.626778     -1.663223      5.304486
  H      -4.579709     -7.192618      4.121487
  H      -5.923021     -6.079071      3.728981
  H      -4.667942     -6.397784      2.514002
  H      -5.620867     -4.336686      1.986890
  H      -5.758093     -2.022113      1.039609
  H      -1.235262     -1.555920      5.248701
  H      -2.500591     -0.755522      6.211105
  H      -2.809034     -2.951592      4.918186
  H      -7.788894     11.175094      3.512500
  H      -8.309845     10.210577      2.121740
  H      -7.333818     11.691274      1.856592
  H      -8.238285      8.921496      4.134085
  H      -8.080103      6.861145      5.530171
  H      -3.577105      5.254929      6.158720
  H      -4.188584      4.230961      4.867115
  H      -4.127425      8.379681      2.945121
  H      -9.707860     -4.282730      4.171550
  H      -8.642747     -5.714015      4.335904
  H      -8.458694     -4.584954      2.953717
  H      -9.153910     -2.278927      3.098377
  H      -8.888985      0.175434      2.751151
  H      -5.567046      2.470770      5.598840
  H      -4.776478      1.680162      4.239047
  H      -5.983610     -2.172898      6.022630
  N      -0.322329      2.781383      3.746705
  H       0.105393      3.506184      3.162754
88
Coordinates from ORCA-job orca E -6506.866442921226
  N      -0.950537      0.532205      5.506739
  Mo     -1.689670      2.231818      4.757746
  N      -3.488879      2.073677      5.827548
  C      -3.448492      2.563803      7.190331
  C      -2.057504      2.312672      7.746522
  N      -0.986597      2.778796      6.799853
  C       0.258674      1.979373      7.004874
  C      -0.021409      0.521305      6.611084
  C      -0.764419      4.265519      6.925154
  C      -0.988371      4.949207      5.567642
  N      -2.108291      4.280163      4.921086
  H       0.938716      0.034081      6.349662
  H      -0.428333     -0.043504      7.473764
  H       1.024600      2.414589      6.350772
  H       0.594940      2.056111      8.052739
  H      -1.169740      6.026225      5.718800
  H      -0.085106      4.848754      4.948234
  H      -1.497404      4.640014      7.653548
  H       0.240857      4.456460      7.330744
  H      -4.162351      2.016732      7.829414
  H      -3.724136      3.638559      7.274167
  H      -1.938984      1.231364      7.872157
  H      -1.898489      2.796833      8.724385
  C      -4.856040     -6.268240      3.592697
  C      -4.041695     -5.123888      4.152447
  O      -3.275679     -5.300349      5.095780
  C      -4.184583     -3.772101      3.523650
  C      -5.027487     -3.530938      2.423037
  C      -5.104526     -2.244332      1.882674
  C      -4.340964     -1.223109      2.419474
  F      -4.470303      0.006282      1.866925
  C      -3.459375     -1.409999      3.522315
  C      -2.646854     -0.381587      4.100973
  O      -2.579027      0.820949      3.586334
  C      -1.815907     -0.618120      5.338857
  C      -3.436981     -2.722954      4.057289
  C      -7.492934     10.819381      2.511327
  C      -6.210504     10.020798      2.580490
  O      -5.213438     10.370881      1.958200
  C      -6.184489      8.790614      3.437079
  C      -7.301994      8.360435      4.173812
  C      -7.224651      7.216381      4.959430
  C      -6.029527      6.505365      5.006382
  F      -6.014768      5.402409      5.796033
  C      -4.884913      6.888424      4.287408
  C      -3.550035      6.177099      4.258521
  O      -2.645166      6.629803      3.572046
  C      -3.369907      4.923872      5.112648
  C      -5.003625      8.047144      3.507890
  C      -8.684607     -4.661910      4.025723
  C      -7.689144     -3.865182      4.841274
  O      -6.976647     -4.417628      5.674795
  C      -7.584000     -2.395063      4.595832
  C      -8.399275     -1.731281      3.662971
  C      -8.257148     -0.364325      3.453082
  C      -7.284642      0.329762      4.164710
  F      -7.194021      1.662381      3.932695
  C      -6.439320     -0.286005      5.101772
  C      -5.318092      0.376934      5.849640
  O      -4.828308     -0.181181      6.828007
  C      -4.786795      1.719293      5.337548
  C      -6.627559     -1.660794      5.302997
  H      -4.592129     -7.188107      4.125123
  H      -5.929732     -6.069815      3.725797
  H      -4.671440     -6.396741      2.515740
  H      -5.625430     -4.331306      1.988635
  H      -5.759931     -2.016422      1.041449
  H      -1.231385     -1.556180      5.245842
  H      -2.496918     -0.758816      6.210787
  H      -2.809302     -2.951155      4.918066
  H      -7.791731     11.167149      3.512072
  H      -8.317645     10.201966      2.123598
  H      -7.342226     11.682129      1.854120
  H      -8.238839      8.916593      4.139552
  H      -8.074839      6.860848      5.542031
  H      -3.572642      5.252555      6.159405
  H      -4.185329      4.228642      4.868403
  H      -4.132015      8.371995      2.937693
  H      -9.707441     -4.281554      4.167787
  H      -8.641467     -5.712006      4.333747
  H      -8.456515     -4.583281      2.951430
  H      -9.151697     -2.277048      3.093625
  H      -8.884882      0.177090      2.745089
  H      -5.565196      2.472621      5.598522
  H      -4.774739      1.681889      4.237968
  H      -5.985504     -2.170225      6.022305
  N      -0.316233      2.781422      3.751039
  H       0.098698      3.516262      3.170181
88
Coordinates from ORCA-job orca E -6506.866476154435
  N      -0.948514      0.532355      5.507525
  Mo     -1.688116      2.230680      4.758504
  N      -3.488014      2.070714      5.827157
  C      -3.447390      2.561941      7.189424
  C      -2.056251      2.313636      7.746893
  N      -0.985125      2.778961      6.799403
  C       0.260408      1.979791      7.005008
  C      -0.020294      0.521507      6.612747
  C      -0.764182      4.266306      6.924378
  C      -0.988887      4.949562      5.566805
  N      -2.107803      4.278537      4.918985
  H       0.939168      0.032435      6.352707
  H      -0.428550     -0.041833      7.475872
  H       1.025291      2.414341      6.349159
  H       0.597244      2.058834      8.052429
  H      -1.171646      6.026205      5.717772
  H      -0.084821      4.849811      4.948370
  H      -1.497713      4.639700      7.652709
  H       0.240878      4.458732      7.329731
  H      -4.159678      2.012958      7.828937
  H      -3.726299      3.635843      7.273107
  H      -1.935609      1.233025      7.876436
  H      -1.899679      2.801604      8.723156
  C      -4.856040     -6.267254      3.594056
  C      -4.044208     -5.122536      4.156804
  O      -3.278347     -5.299369      5.100166
  C      -4.184150     -3.771401      3.525998
  C      -5.025484     -3.530630      2.424099
  C      -5.101381     -2.244511      1.882512
  C      -4.337794     -1.223370      2.419374
  F      -4.465556      0.005715      1.865728
  C      -3.457480     -1.409992      3.523401
  C      -2.644409     -0.381923      4.101260
  O      -2.575202      0.820426      3.585780
  C      -1.811517     -0.619493      5.338133
  C      -3.436242     -2.722485      4.059648
  C      -7.492100     10.820031      2.514372
  C      -6.209128     10.022325      2.584054
  O      -5.212665     10.371716      1.960493
  C      -6.183825      8.790115      3.437719
  C      -7.302258      8.357788      4.171851
  C      -7.225777      7.212251      4.955316
  C      -6.030282      6.501872      5.002941
  F      -6.016036      5.397120      5.790118
  C      -4.884942      6.887020      4.286529
  C      -3.549274      6.176793      4.259316
  O      -2.644318      6.629581      3.573117
  C      -3.370079      4.922105      5.111655
  C      -5.002705      8.047063      3.508848
  C      -8.689335     -4.660387      4.026220
  C      -7.690664     -3.864867      4.838762
  O      -6.977102     -4.417894      5.671068
  C      -7.586147     -2.394506      4.594607
  C      -8.403010     -1.729703      3.663863
  C      -8.260691     -0.362631      3.454843
  C      -7.286458      0.330530      4.164976
  F      -7.195673      1.663419      3.934328
  C      -6.439902     -0.286062      5.100108
  C      -5.316936      0.375650      5.846692
  O      -4.827031     -0.183241      6.824460
  C      -4.786432      1.719009      5.336409
  C      -6.628219     -1.661001      5.300583
  H      -4.596262     -7.186512      4.129512
  H      -5.930268     -6.067332      3.719662
  H      -4.664023     -6.397593      2.518582
  H      -5.623472     -4.331017      1.989824
  H      -5.755662     -2.016928      1.040340
  H      -1.225459     -1.556344      5.241737
  H      -2.490819     -0.763401      6.210638
  H      -2.809545     -2.950638      4.921155
  H      -7.794451     11.163661      3.515396
  H      -8.314760     10.202862      2.121772
  H      -7.340629     11.685175      1.860517
  H      -8.239471      8.913294      4.136962
  H      -8.076728      6.854788      5.535603
  H      -3.573566      5.247476      6.159019
  H      -4.185210      4.227691      4.864195
  H      -4.130318      8.373255      2.940646
  H      -9.711465     -4.279601      4.172104
  H      -8.645452     -5.710570      4.333921
  H      -8.465054     -4.581626      2.951172
  H      -9.156995     -2.274657      3.095813
  H      -8.889634      0.179818      2.748710
  H      -5.564690      2.472027      5.598490
  H      -4.773867      1.682822      4.236738
  H      -5.985002     -2.171068      6.018365
  N      -0.314775      2.783294      3.751470
  H       0.079598      3.530691      3.171972
88
Coordinates from ORCA-job orca E -6506.866497979465
  N      -0.952148      0.533068      5.505909
  Mo     -1.694114      2.229300      4.756660
  N      -3.493497      2.070023      5.826352
  C      -3.452169      2.561104      7.188465
  C      -2.060539      2.314456      7.745949
  N      -0.990473      2.780054      6.797092
  C       0.256030      1.982444      7.002312
  C      -0.023504      0.523922      6.611024
  C      -0.771077      4.268124      6.921021
  C      -0.995214      4.949797      5.562581
  N      -2.113406      4.276967      4.914451
  H       0.936194      0.035668      6.350623
  H      -0.430744     -0.039604      7.474432
  H       1.019380      2.417651      6.345042
  H       0.593740      2.063458      8.049213
  H      -1.178793      6.026401      5.711818
  H      -0.090264      4.850121      4.945353
  H      -1.505851      4.640938      7.648256
  H       0.233383      4.461894      7.327085
  H      -4.162846      2.009811      7.828074
  H      -3.733449      3.634061      7.273006
  H      -1.937974      1.234330      7.877495
  H      -1.905209      2.804580      8.721216
  C      -4.854193     -6.272129      3.602113
  C      -4.040052     -5.126937      4.160458
  O      -3.277437     -5.300864      5.106914
  C      -4.181591     -3.776669      3.528247
  C      -5.024291     -3.537751      2.427054
  C      -5.102568     -2.252029      1.884756
  C      -4.339949     -1.229567      2.420354
  F      -4.470354     -0.000858      1.866548
  C      -3.458179     -1.414395      3.523611
  C      -2.646431     -0.384986      4.100353
  O      -2.579730      0.817471      3.584534
  C      -1.810707     -0.622061      5.335529
  C      -3.434775     -2.726512      4.060686
  C      -7.478087     10.841136      2.527102
  C      -6.198435     10.037857      2.592540
  O      -5.201661     10.384440      1.967944
  C      -6.176996      8.803040      3.442326
  C      -7.295900      8.373613      4.177318
  C      -7.223547      7.225461      4.957284
  C      -6.031179      6.509560      5.000617
  F      -6.020209      5.402195      5.784117
  C      -4.885588      6.891807      4.283205
  C      -3.552787      6.176137      4.252341
  O      -2.648489      6.624538      3.562384
  C      -3.375422      4.922294      5.106423
  C      -4.999038      8.054529      3.509016
  C      -8.679934     -4.670979      4.027374
  C      -7.686302     -3.872039      4.842492
  O      -6.974977     -4.421949      5.678717
  C      -7.582477     -2.402373      4.594555
  C      -8.396841     -1.740845      3.659282
  C      -8.255438     -0.374249      3.447234
  C      -7.284479      0.321845      4.158906
  F      -7.193609      1.654280      3.925221
  C      -6.440359     -0.291353      5.098126
  C      -5.320347      0.374192      5.846619
  O      -4.829978     -0.183451      6.824664
  C      -4.792261      1.718673      5.336160
  C      -6.627485     -1.665973      5.301618
  H      -4.598670     -7.189253      4.143097
  H      -5.927969     -6.067852      3.723520
  H      -4.659694     -6.408714      2.527912
  H      -5.621412     -4.339218      1.993775
  H      -5.757924     -2.026097      1.043066
  H      -1.221576     -1.556539      5.235590
  H      -2.487338     -0.769845      6.209166
  H      -2.807256     -2.953203      4.921903
  H      -7.778783     11.181645      3.529585
  H      -8.303135     10.228716      2.132200
  H      -7.323588     11.708312      1.876737
  H      -8.230741      8.933188      4.145643
  H      -8.075141      6.870040      5.537749
  H      -3.579682      5.247594      6.153365
  H      -4.190919      4.229015      4.856997
  H      -4.126385      8.378247      2.939966
  H      -9.703272     -4.291727      4.168202
  H      -8.635236     -5.720301      4.337806
  H      -8.451600     -4.594355      2.953110
  H      -9.148502     -2.288009      3.090402
  H      -8.882591      0.165776      2.737733
  H      -5.571025      2.470939      5.597807
  H      -4.779863      1.681545      4.236443
  H      -5.986099     -2.173186      6.022956
  N      -0.323892      2.783598      3.744740
  H       0.054555      3.538496      3.164097
88
Coordinates from ORCA-job orca E -6506.866515488281
  N      -0.952963      0.533544      5.505231
  Mo     -1.697160      2.227669      4.753946
  N      -3.497082      2.071060      5.822103
  C      -3.457206      2.563290      7.183901
  C      -2.065796      2.317486      7.743239
  N      -0.995239      2.782302      6.794512
  C       0.251976      1.986175      7.001339
  C      -0.025454      0.527195      6.611322
  C      -0.776274      4.270888      6.916071
  C      -0.998128      4.949636      5.555847
  N      -2.116109      4.275122      4.909011
  H       0.935402      0.040443      6.352212
  H      -0.432393     -0.036150      7.474932
  H       1.015293      2.421871      6.344297
  H       0.588952      2.068857      8.048350
  H      -1.181934      6.026568      5.702028
  H      -0.092547      4.848988      4.939580
  H      -1.512566      4.644828      7.641157
  H       0.227392      4.465177      7.323839
  H      -4.167961      2.011306      7.822943
  H      -3.739330      3.635990      7.267633
  H      -1.942905      1.237649      7.876608
  H      -1.911795      2.809103      8.717975
  C      -4.847047     -6.279465      3.613086
  C      -4.036070     -5.131715      4.170745
  O      -3.273425     -5.303203      5.117642
  C      -4.177485     -3.783245      3.534745
  C      -5.019897     -3.547514      2.432709
  C      -5.098894     -2.262853      1.887703
  C      -4.337244     -1.238730      2.421386
  F      -4.469041     -0.011257      1.865202
  C      -3.455304     -1.420451      3.525085
  C      -2.645233     -0.389032      4.100538
  O      -2.580648      0.812778      3.582912
  C      -1.809470     -0.623443      5.335912
  C      -3.431554     -2.731420      4.064969
  C      -7.469727     10.855984      2.541004
  C      -6.191941     10.049602      2.603702
  O      -5.195264     10.394696      1.978021
  C      -6.172478      8.812746      3.450468
  C      -7.290766      8.385699      4.187611
  C      -7.220743      7.235293      4.964491
  C      -6.030964      6.514715      5.002393
  F      -6.022015      5.405060      5.782524
  C      -4.885954      6.894581      4.282608
  C      -3.555866      6.174163      4.245809
  O      -2.654151      6.617929      3.549371
  C      -3.377797      4.921174      5.100923
  C      -4.997056      8.059693      3.511701
  C      -8.680588     -4.674801      4.025269
  C      -7.687941     -3.874991      4.840776
  O      -6.978478     -4.423650      5.679341
  C      -7.583359     -2.405778      4.590525
  C      -8.396763     -1.745265      3.653648
  C      -8.255138     -0.379062      3.439802
  C      -7.284822      0.317900      4.151549
  F      -7.193626      1.650098      3.916590
  C      -6.441390     -0.294302      5.091916
  C      -5.321714      0.372787      5.840744
  O      -4.830917     -0.184522      6.818558
  C      -4.795155      1.718619      5.330768
  C      -6.628663     -1.668569      5.297325
  H      -4.591100     -7.194899      4.156673
  H      -5.921511     -6.076868      3.731269
  H      -4.650397     -6.417928      2.539478
  H      -5.616034     -4.350426      2.000766
  H      -5.754224     -2.039435      1.045334
  H      -1.218921     -1.557050      5.237166
  H      -2.485931     -0.771075      6.209701
  H      -2.804607     -2.955379      4.927320
  H      -7.768402     11.196048      3.544237
  H      -8.296663     10.245840      2.146527
  H      -7.314073     11.723553      1.891450
  H      -8.223627      8.948812      4.160075
  H      -8.072127      6.881675      5.546341
  H      -3.582548      5.247194      6.147563
  H      -4.193323      4.227908      4.851197
  H      -4.125013      8.381525      2.940709
  H      -9.703908     -4.294645      4.163833
  H      -8.636951     -5.723635      4.337509
  H      -8.450844     -4.600038      2.951187
  H      -9.148087     -2.293114      3.084987
  H      -8.881668      0.160069      2.729060
  H      -5.575219      2.470014      5.590178
  H      -4.781533      1.680363      4.231082
  H      -5.987909     -2.174746      6.019948
  N      -0.330366      2.781469      3.736593
  H       0.041040      3.538004      3.153410
88
Coordinates from ORCA-job orca E -6506.866539116808
  N      -0.953326      0.534467      5.501976
  Mo     -1.701674      2.225885      4.749318
  N      -3.501810      2.072611      5.815055
  C      -3.464067      2.564604      7.177221
  C      -2.072580      2.319975      7.737868
  N      -1.001709      2.785278      6.790161
  C       0.246796      1.991208      6.998075
  C      -0.028146      0.531652      6.610014
  C      -0.783447      4.274282      6.908700
  C      -1.003516      4.948966      5.546289
  N      -2.122044      4.272882      4.902509
  H       0.934316      0.046435      6.353620
  H      -0.435778     -0.030896      7.473808
  H       1.009968      2.427509      6.341196
  H       0.583642      2.075415      8.045078
  H      -1.186947      6.026635      5.688170
  H      -0.097950      4.846507      4.930250
  H      -1.520618      4.649721      7.632150
  H       0.219774      4.469093      7.317366
  H      -4.174796      2.011054      7.814803
  H      -3.747064      3.636919      7.261374
  H      -1.949155      1.240228      7.871543
  H      -1.919677      2.811630      8.712862
  C      -4.834075     -6.290756      3.628694
  C      -4.029322     -5.138264      4.185583
  O      -3.270621     -5.304320      5.136680
  C      -4.171546     -3.792526      3.543987
  C      -5.011621     -3.562574      2.439011
  C      -5.091484     -2.279742      1.889332
  C      -4.333009     -1.252347      2.421105
  F      -4.466070     -0.027225      1.860053
  C      -3.452580     -1.428378      3.526954
  C      -2.644886     -0.393792      4.100421
  O      -2.582983      0.806867      3.579949
  C      -1.809383     -0.623710      5.336196
  C      -3.428559     -2.737368      4.071671
  C      -7.453133     10.882491      2.563608
  C      -6.176836     10.073931      2.627232
  O      -5.175656     10.423857      2.011286
  C      -6.163821      8.829544      3.462991
  C      -7.285809      8.399254      4.192351
  C      -7.222212      7.241296      4.958625
  C      -6.034825      6.516519      4.993498
  F      -6.032337      5.398955      5.762112
  C      -4.886136      6.899423      4.280951
  C      -3.558689      6.174395      4.240074
  O      -2.657073      6.616311      3.542118
  C      -3.382748      4.920194      5.093332
  C      -4.990955      8.072083      3.520674
  C      -8.681627     -4.681287      4.025582
  C      -7.689041     -3.880360      4.840358
  O      -6.980462     -4.427641      5.680450
  C      -7.584793     -2.411381      4.588266
  C      -8.399563     -1.751841      3.651880
  C      -8.258997     -0.385858      3.436402
  C      -7.288096      0.312100      4.146497
  F      -7.198448      1.644249      3.911065
  C      -6.443029     -0.299257      5.085974
  C      -5.322854      0.369869      5.833581
  O      -4.830687     -0.186330      6.811116
  C      -4.798140      1.716574      5.322123
  C      -6.629354     -1.673254      5.293299
  H      -4.577495     -7.203071      4.177188
  H      -5.909982     -6.091891      3.740526
  H      -4.632847     -6.432544      2.556301
  H      -5.604883     -4.368237      2.008150
  H      -5.745388     -2.060871      1.044629
  H      -1.218476     -1.557387      5.241180
  H      -2.486046     -0.768440      6.210531
  H      -2.803454     -2.956460      4.936669
  H      -7.757155     11.215571      3.567636
  H      -8.278623     10.276262      2.160082
  H      -7.292686     11.754699      1.921448
  H      -8.216803      8.965675      4.167267
  H      -8.076871      6.885110      5.534106
  H      -3.590434      5.245695      6.139768
  H      -4.198519      4.228130      4.840496
  H      -4.116286      8.396416      2.955157
  H      -9.704883     -4.300555      4.163495
  H      -8.638444     -5.729793      4.339015
  H      -8.452138     -4.607743      2.951330
  H      -9.151217     -2.300700      3.084559
  H      -8.886745      0.152243      2.725909
  H      -5.580486      2.466998      5.576962
  H      -4.782368      1.675106      4.222608
  H      -5.987422     -2.178501      6.015571
  N      -0.343356      2.781582      3.721609
  H       0.011914      3.543426      3.135056
88
Coordinates from ORCA-job orca E -6506.866556974969
  N      -0.952243      0.534809      5.499983
  Mo     -1.704036      2.224585      4.748025
  N      -3.504759      2.074382      5.813237
  C      -3.467539      2.565801      7.175600
  C      -2.076320      2.319255      7.736186
  N      -1.005312      2.785670      6.789984
  C       0.244118      1.993324      6.998182
  C      -0.027784      0.533669      6.608980
  C      -0.788167      4.274371      6.908417
  C      -1.005693      4.947752      5.545066
  N      -2.124292      4.272100      4.901806
  H       0.935889      0.050894      6.352727
  H      -0.435165     -0.030610      7.471604
  H       1.007637      2.431351      6.342885
  H       0.580137      2.076320      8.045619
  H      -1.188443      6.025900      5.685505
  H      -0.099618      4.844351      4.930016
  H      -1.527589      4.650227      7.629391
  H       0.213832      4.469500      7.320004
  H      -4.179350      2.012920      7.812342
  H      -3.748674      3.638631      7.260619
  H      -1.954089      1.238990      7.867009
  H      -1.922806      2.808365      8.712453
  C      -4.829594     -6.296513      3.637259
  C      -4.024989     -5.142932      4.191932
  O      -3.261542     -5.308363      5.139358
  C      -4.168436     -3.798179      3.548530
  C      -5.009848     -3.570013      2.444176
  C      -5.090698     -2.287877      1.892999
  C      -4.332386     -1.259335      2.422833
  F      -4.466861     -0.034976      1.860549
  C      -3.450623     -1.433587      3.527789
  C      -2.643604     -0.397524      4.100061
  O      -2.586345      0.803409      3.580841
  C      -1.806251     -0.625479      5.334624
  C      -3.425020     -2.742034      4.073631
  C      -7.448354     10.890662      2.570925
  C      -6.173809     10.079062      2.630642
  O      -5.173589     10.426889      2.011883
  C      -6.161014      8.834904      3.466792
  C      -7.280870      8.408660      4.201718
  C      -7.217558      7.250281      4.967503
  C      -6.032720      6.521128      4.996126
  F      -6.030191      5.403355      5.764423
  C      -4.886185      6.899925      4.277890
  C      -3.562177      6.169283      4.230124
  O      -2.664215      6.603983      3.523048
  C      -3.384392      4.920187      5.090627
  C      -4.990655      8.073067      3.518375
  C      -8.679231     -4.682072      4.020608
  C      -7.690553     -3.879792      4.838994
  O      -6.985147     -4.426048      5.682369
  C      -7.585662     -2.411004      4.585798
  C      -8.398309     -1.752432      3.646923
  C      -8.257479     -0.386640      3.430237
  C      -7.288215      0.312116      4.141868
  F      -7.197932      1.643800      3.904614
  C      -6.445030     -0.298501      5.083725
  C      -5.325678      0.371266      5.831911
  O      -4.833300     -0.184737      6.809393
  C      -4.800425      1.717531      5.319560
  C      -6.631777     -1.672185      5.292161
  H      -4.571381     -7.208121      4.186184
  H      -5.905662     -6.098813      3.750025
  H      -4.629537     -6.438897      2.564668
  H      -5.603296     -4.376447      2.014961
  H      -5.745737     -2.070431      1.048792
  H      -1.213314     -1.557791      5.239401
  H      -2.481487     -0.770910      6.209913
  H      -2.798911     -2.959539      4.938310
  H      -7.747568     11.226144      3.575625
  H      -8.276936     10.285792      2.171758
  H      -7.288261     11.761484      1.926791
  H      -8.209779      8.978697      4.181770
  H      -8.070665      6.897362      5.547292
  H      -3.591225      5.250319      6.135723
  H      -4.200536      4.226938      4.841468
  H      -4.117795      8.394350      2.948312
  H      -9.703324     -4.301983      4.154212
  H      -8.636788     -5.730446      4.334504
  H      -8.445434     -4.608671      2.947251
  H      -9.148311     -2.302054      3.078124
  H      -8.883505      0.150434      2.717468
  H      -5.583167      2.468364      5.572188
  H      -4.783468      1.674128      4.220132
  H      -5.991009     -2.176742      6.015972
  N      -0.351446      2.782917      3.713177
  H      -0.012894      3.554561      3.129258
88
Coordinates from ORCA-job orca E -6506.866570003457
  N      -0.948669      0.534731      5.496834
  Mo     -1.703855      2.224485      4.747446
  N      -3.504227      2.073849      5.811235
  C      -3.466851      2.564874      7.173960
  C      -2.075634      2.317455      7.734194
  N      -1.004355      2.784849      6.789243
  C       0.245459      1.992965      6.996906
  C      -0.025703      0.533303      6.607051
  C      -0.788030      4.273218      6.908801
  C      -1.006690      4.947304      5.546116
  N      -2.125697      4.271951      4.903678
  H       0.938264      0.050376      6.352279
  H      -0.434508     -0.030851      7.469172
  H       1.009012      2.431679      6.342114
  H       0.581626      2.074797      8.044436
  H      -1.189237      6.025426      5.687459
  H      -0.101145      4.844008      4.930242
  H      -1.527331      4.648444      7.630300
  H       0.213990      4.468777      7.320199
  H      -4.179264      2.012663      7.810389
  H      -3.746934      3.638093      7.259212
  H      -1.954242      1.236794      7.862980
  H      -1.921593      2.804517      8.711457
  C      -4.830263     -6.296276      3.639506
  C      -4.025520     -5.142612      4.193848
  O      -3.263836     -5.307340      5.142844
  C      -4.168914     -3.797982      3.550177
  C      -5.010157     -3.570147      2.445558
  C      -5.090589     -2.288409      1.893601
  C      -4.332043     -1.259701      2.422880
  F      -4.465691     -0.035765      1.859474
  C      -3.450654     -1.433548      3.528067
  C      -2.642832     -0.397360      4.099410
  O      -2.585928      0.803314      3.580107
  C      -1.804837     -0.624527      5.333532
  C      -3.425260     -2.741628      4.074727
  C      -7.444391     10.893928      2.571954
  C      -6.169495     10.083085      2.635206
  O      -5.166163     10.434304      2.023491
  C      -6.159820      8.836424      3.467794
  C      -7.282614      8.407619      4.196808
  C      -7.221622      7.247159      4.959625
  C      -6.036597      6.518480      4.991233
  F      -6.037173      5.398891      5.756949
  C      -4.887186      6.899510      4.278608
  C      -3.562758      6.169437      4.233067
  O      -2.663504      6.605248      3.528359
  C      -3.385989      4.919084      5.091958
  C      -4.989491      8.074827      3.522093
  C      -8.677466     -4.683352      4.021722
  C      -7.689605     -3.880125      4.840180
  O      -6.983896     -4.425711      5.683771
  C      -7.585563     -2.411242      4.586770
  C      -8.399025     -1.753089      3.648369
  C      -8.258793     -0.387141      3.431603
  C      -7.289162      0.311994      4.142448
  F      -7.199462      1.643530      3.904534
  C      -6.445298     -0.298316      5.084037
  C      -5.325307      0.370897      5.830975
  O      -4.832289     -0.185101      6.808256
  C      -4.799736      1.716413      5.317800
  C      -6.631613     -1.672056      5.292511
  H      -4.572673     -7.207580      4.189290
  H      -5.906495     -6.098724      3.751092
  H      -4.629178     -6.439490      2.567201
  H      -5.603963     -4.376615      2.016857
  H      -5.745402     -2.071186      1.049129
  H      -1.213171     -1.557874      5.240128
  H      -2.480169     -0.767619      6.209279
  H      -2.798959     -2.958752      4.939403
  H      -7.748049     11.226894      3.576199
  H      -8.270970     10.289498      2.167943
  H      -7.282106     11.766424      1.930617
  H      -8.211602      8.977473      4.174760
  H      -8.076894      6.892306      5.535079
  H      -3.593957      5.248395      6.137290
  H      -4.201841      4.225848      4.842275
  H      -4.114394      8.398136      2.956534
  H      -9.702006     -4.304448      4.155518
  H      -8.634014     -5.731805      4.335213
  H      -8.443635     -4.609252      2.948387
  H      -9.149149     -2.303067      3.080019
  H      -8.885494      0.149573      2.719146
  H      -5.582510      2.467406      5.570561
  H      -4.782865      1.672861      4.218377
  H      -5.990267     -2.176523      6.015892
  N      -0.355684      2.786872      3.708071
  H      -0.030767      3.567310      3.127925
88
Coordinates from ORCA-job orca E -6506.866576713541
  N      -0.946505      0.534456      5.495778
  Mo     -1.703606      2.224843      4.748389
  N      -3.503730      2.073818      5.811679
  C      -3.465137      2.563882      7.174862
  C      -2.074204      2.314131      7.734398
  N      -1.002681      2.783025      6.790523
  C       0.247118      1.991402      6.997518
  C      -0.023957      0.531914      6.606519
  C      -0.787524      4.271035      6.912718
  C      -1.006830      4.947269      5.551236
  N      -2.125714      4.273206      4.907594
  H       0.939743      0.048499      6.352027
  H      -0.433661     -0.032542      7.468045
  H       1.010598      2.430682      6.342989
  H       0.583411      2.071967      8.045115
  H      -1.188915      6.025200      5.694779
  H      -0.101199      4.844366      4.935308
  H      -1.527441      4.644720      7.634425
  H       0.214107      4.467246      7.324793
  H      -4.178486      2.012975      7.811286
  H      -3.743344      3.637579      7.260592
  H      -1.953997      1.232910      7.860093
  H      -1.919399      2.798332      8.712958
  C      -4.832882     -6.294215      3.635743
  C      -4.025826     -5.142097      4.189930
  O      -3.263860     -5.307940      5.138493
  C      -4.169238     -3.796690      3.547912
  C      -5.011006     -3.567455      2.443895
  C      -5.091570     -2.285455      1.893010
  C      -4.332615     -1.257274      2.422915
  F      -4.465717     -0.032934      1.860385
  C      -3.451229     -1.432466      3.527809
  C      -2.642786     -0.396764      4.099380
  O      -2.586137      0.804078      3.581260
  C      -1.803382     -0.624555      5.332497
  C      -3.425193     -2.740961      4.073281
  C      -7.444523     10.892228      2.567714
  C      -6.168828     10.082688      2.632866
  O      -5.164684     10.435158      2.023331
  C      -6.159959      8.835183      3.464289
  C      -7.283748      8.405204      4.191302
  C      -7.222844      7.244549      4.953797
  C      -6.037297      6.516895      4.987280
  F      -6.038151      5.397164      5.752979
  C      -4.887205      6.898740      4.276442
  C      -3.562303      6.169333      4.233238
  O      -2.661905      6.605341      3.530298
  C      -3.386301      4.920045      5.094165
  C      -4.989323      8.074256      3.520205
  C      -8.675301     -4.683640      4.023874
  C      -7.687447     -3.879884      4.841647
  O      -6.979591     -4.425417      5.683579
  C      -7.585124     -2.410680      4.589113
  C      -8.400370     -1.752675      3.652192
  C      -8.261141     -0.386419      3.436102
  C      -7.290773      0.312980      4.145665
  F      -7.202393      1.644631      3.908109
  C      -6.445407     -0.297110      5.086135
  C      -5.324699      0.371321      5.831655
  O      -4.831289     -0.184631      6.808945
  C      -4.799478      1.716507      5.318722
  C      -6.630847     -1.671172      5.293910
  H      -4.575763     -7.206454      4.184262
  H      -5.908682     -6.095311      3.749229
  H      -4.632924     -6.436866      2.563169
  H      -5.605472     -4.373350      2.014996
  H      -5.746502     -2.067165      1.048885
  H      -1.212207     -1.558204      5.238486
  H      -2.477942     -0.767552      6.208829
  H      -2.798094     -2.959271      4.937086
  H      -7.748950     11.225762      3.571561
  H      -8.270463     10.286941      2.163719
  H      -7.282468     11.764454      1.925928
  H      -8.213096      8.974399      4.167877
  H      -8.078705      6.888712      5.527809
  H      -3.594407      5.250838      6.139050
  H      -4.202180      4.226403      4.846007
  H      -4.113451      8.398343      2.956218
  H      -9.700313     -4.306777      4.159805
  H      -8.629604     -5.732419      4.335987
  H      -8.442984     -4.607761      2.950319
  H      -9.151085     -2.302734      3.084685
  H      -8.889327      0.150296      2.724944
  H      -5.582064      2.467252      5.573488
  H      -4.783255      1.674407      4.219242
  H      -5.988296     -2.175712      6.016180
  N      -0.358365      2.790486      3.706564
  H      -0.042040      3.576981      3.129731
88
Coordinates from ORCA-job orca E -6506.866579513076
  N      -0.946378      0.534202      5.495245
  Mo     -1.704436      2.225273      4.748892
  N      -3.504074      2.074229      5.811927
  C      -3.464524      2.564426      7.175140
  C      -2.074038      2.312647      7.734679
  N      -1.002086      2.781802      6.791156
  C       0.247396      1.990012      6.997854
  C      -0.023971      0.530771      6.606133
  C      -0.786949      4.269651      6.914992
  C      -1.006598      4.947421      5.554296
  N      -2.125654      4.274418      4.910166
  H       0.939452      0.046947      6.351573
  H      -0.434031     -0.033867      7.467370
  H       1.010784      2.429370      6.343239
  H       0.583801      2.070161      8.045414
  H      -1.188080      6.025216      5.699251
  H      -0.100993      4.844499      4.938198
  H      -1.526908      4.642547      7.637049
  H       0.214641      4.465858      7.327129
  H      -4.178773      2.014867      7.811742
  H      -3.741153      3.638496      7.260349
  H      -1.954941      1.231162      7.859020
  H      -1.918864      2.795499      8.713805
  C      -4.836202     -6.292342      3.632909
  C      -4.027144     -5.141412      4.186635
  O      -3.264097     -5.308368      5.134081
  C      -4.170144     -3.795520      3.545555
  C      -5.012646     -3.565037      2.442360
  C      -5.093287     -2.282766      1.892360
  C      -4.333571     -1.255196      2.422486
  F      -4.466653     -0.030403      1.861088
  C      -3.451677     -1.431680      3.526740
  C      -2.643093     -0.396363      4.098828
  O      -2.586338      0.804669      3.581512
  C      -1.803195     -0.624859      5.331489
  C      -3.425385     -2.740489      4.071300
  C      -7.444951     10.890580      2.563757
  C      -6.169165     10.081205      2.629441
  O      -5.164830     10.433606      2.020275
  C      -6.160269      8.834462      3.461981
  C      -7.284082      8.405108      4.189430
  C      -7.222912      7.245537      4.953466
  C      -6.037171      6.518287      4.988166
  F      -6.037778      5.399752      5.755700
  C      -4.887161      6.899472      4.276969
  C      -3.561818      6.170651      4.235446
  O      -2.661183      6.606205      3.532589
  C      -3.386238      4.921395      5.096687
  C      -4.989479      8.073941      3.519151
  C      -8.673046     -4.685204      4.026884
  C      -7.684837     -3.880904      4.843513
  O      -6.977261     -4.425600      5.686248
  C      -7.583095     -2.411814      4.590246
  C      -8.398022     -1.754739      3.652367
  C      -8.258926     -0.388583      3.435575
  C      -7.289314      0.311611      4.145296
  F      -7.200639      1.643084      3.906574
  C      -6.444525     -0.297382      5.086905
  C      -5.324848      0.371799      5.832815
  O      -4.831467     -0.183653      6.810494
  C      -4.800238      1.716923      5.319813
  C      -6.629653     -1.671474      5.295228
  H      -4.578807     -7.205402      4.179919
  H      -5.911451     -6.092356      3.749185
  H      -4.638435     -6.434244      2.559877
  H      -5.607866     -4.370365      2.013511
  H      -5.748641     -2.063517      1.048841
  H      -1.212184     -1.558515      5.236722
  H      -2.477394     -0.768312      6.207981
  H      -2.797815     -2.959751      4.934484
  H      -7.748020     11.226062      3.567360
  H      -8.271488     10.284781      2.161898
  H      -7.283455     11.761658      1.920294
  H      -8.213589      8.973933      4.164946
  H      -8.078688      6.890111      5.527826
  H      -3.593573      5.253014      6.141491
  H      -4.202402      4.227792      4.849773
  H      -4.113549      8.397467      2.954951
  H      -9.698010     -4.308331      4.162900
  H      -8.627154     -5.733683      4.339963
  H      -8.441003     -4.610298      2.953237
  H      -9.148303     -2.305287      3.084825
  H      -8.886778      0.147527      2.723689
  H      -5.582627      2.467312      5.576229
  H      -4.784949      1.675926      4.220282
  H      -5.987576     -2.175330      6.018364
  N      -0.360329      2.792231      3.706104
  H      -0.045555      3.579952      3.130112
88
Coordinates from ORCA-job orca E -6506.866580315137
  N      -0.947171      0.533906      5.495704
  Mo     -1.705935      2.225116      4.748889
  N      -3.505264      2.074581      5.811322
  C      -3.465185      2.565099      7.174535
  C      -2.075040      2.312266      7.734420
  N      -1.002663      2.781461      6.790963
  C       0.246688      1.989792      6.997902
  C      -0.024930      0.530562      6.606692
  C      -0.787438      4.269390      6.915347
  C      -1.007081      4.947632      5.554823
  N      -2.126226      4.275087      4.910639
  H       0.938341      0.046300      6.352414
  H      -0.435142     -0.033609      7.468180
  H       1.009857      2.428797      6.342744
  H       0.583270      2.070654      8.045318
  H      -1.188141      6.025405      5.700144
  H      -0.101432      4.844415      4.938727
  H      -1.527387      4.642008      7.637538
  H       0.214176      4.465593      7.327395
  H      -4.179927      2.016243      7.811259
  H      -3.741064      3.639278      7.259187
  H      -1.956420      1.230708      7.858394
  H      -1.919960      2.794721      8.713731
  C      -4.834220     -6.293826      3.630639
  C      -4.025453     -5.142941      4.184944
  O      -3.262256     -5.310105      5.132206
  C      -4.168826     -3.796782      3.544480
  C      -5.011510     -3.566033      2.441527
  C      -5.092824     -2.283579      1.892114
  C      -4.333403     -1.255985      2.422675
  F      -4.467037     -0.030993      1.861966
  C      -3.451351     -1.432772      3.526779
  C      -2.643377     -0.397210      4.099306
  O      -2.586517      0.803716      3.581891
  C      -1.803576     -0.625472      5.332023
  C      -3.424481     -2.741753      4.070818
  C      -7.443442     10.892201      2.562083
  C      -6.167789     10.082664      2.628385
  O      -5.163947     10.433376      2.017455
  C      -6.159245      8.836362      3.461557
  C      -7.282828      8.408387      4.190203
  C      -7.221964      7.249502      4.955237
  C      -6.036704      6.521419      4.989687
  F      -6.037547      5.403631      5.758311
  C      -4.886998      6.901202      4.277284
  C      -3.561998      6.171684      4.235657
  O      -2.660558      6.607918      3.534235
  C      -3.386707      4.922467      5.097040
  C      -4.988929      8.075114      3.518541
  C      -8.672613     -4.686769      4.028314
  C      -7.683954     -3.882228      4.844086
  O      -6.973511     -4.427124      5.684284
  C      -7.583142     -2.413088      4.590844
  C      -8.399281     -1.756261      3.653783
  C      -8.260872     -0.390064      3.437072
  C      -7.290944      0.310469      4.145949
  F      -7.203093      1.642105      3.907546
  C      -6.445005     -0.298134      5.086712
  C      -5.325378      0.371610      5.832250
  O      -4.831630     -0.183570      6.809908
  C      -4.801634      1.717204      5.319531
  C      -6.629381     -1.672384      5.295003
  H      -4.575864     -7.207336      4.176435
  H      -5.909379     -6.094268      3.748437
  H      -4.637457     -6.434619      2.557304
  H      -5.606393     -4.371436      2.012355
  H      -5.748261     -2.064108      1.048732
  H      -1.212546     -1.559086      5.237290
  H      -2.477766     -0.769002      6.208512
  H      -2.796835     -2.961265      4.933867
  H      -7.744445     11.230696      3.565308
  H      -8.271027     10.285774      2.163422
  H      -7.282597     11.761468      1.916017
  H      -8.211978      8.977787      4.165775
  H      -8.077518      6.895101      5.530551
  H      -3.593592      5.255017      6.141695
  H      -4.203082      4.228908      4.850936
  H      -4.113128      8.397504      2.953508
  H      -9.697740     -4.311132      4.166340
  H      -8.625010     -5.735449      4.340498
  H      -8.442419     -4.610777      2.954356
  H      -9.149999     -2.306962      3.087000
  H      -8.889660      0.145971      2.725946
  H      -5.584148      2.467004      5.577092
  H      -4.786902      1.677336      4.219983
  H      -5.986533     -2.176023      6.017601
  N      -0.362620      2.792395      3.705311
  H      -0.047461      3.579625      3.128879
