87
Coordinates from ORCA-job orca E -6506.121050260544
  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
87
Coordinates from ORCA-job orca E -6506.153081233608
  N      -1.514812      0.872540      5.475954
  Mo     -2.663241      2.376959      4.870934
  N      -4.288668      2.062865      5.927354
  C      -4.239933      2.358442      7.350852
  C      -2.800358      2.192245      7.853480
  N      -1.859373      2.886100      6.942853
  C      -0.490708      2.344983      7.064978
  C      -0.447823      0.952841      6.433986
  C      -1.836251      4.347559      7.201035
  C      -1.816666      5.015934      5.822108
  N      -2.866498      4.348731      5.084966
  H       0.536544      0.789624      5.952500
  H      -0.563875      0.161263      7.200959
  H       0.179397      3.017398      6.517936
  H      -0.180439      2.315143      8.121114
  H      -1.973715      6.102153      5.899817
  H      -0.845208      4.853166      5.330454
  H      -2.763265      4.638482      7.709581
  H      -0.981627      4.625662      7.832858
  H      -4.879364      1.666377      7.921631
  H      -4.612180      3.384290      7.545981
  H      -2.570192      1.122081      7.833891
  H      -2.688690      2.569869      8.881882
  C      -3.889734     -6.475527      3.342790
  C      -2.956152     -5.299404      3.455624
  O      -1.819784     -5.404186      3.898170
  C      -3.506355     -3.971248      3.050113
  C      -4.637829     -3.838460      2.231147
  C      -5.119513     -2.573960      1.918642
  C      -4.496179     -1.457513      2.441436
  F      -5.033733     -0.250536      2.138033
  C      -3.355975     -1.538249      3.278023
  C      -2.777489     -0.365587      3.901844
  O      -3.177646      0.793744      3.613688
  C      -1.644047     -0.439607      4.888753
  C      -2.877027     -2.831707      3.542805
  C      -5.510500     12.067985      2.479721
  C      -4.811623     10.731701      2.388043
  O      -3.931956     10.527257      1.562124
  C      -5.231041      9.664733      3.345447
  C      -6.200962      9.868612      4.342783
  C      -6.551261      8.826586      5.190445
  C      -5.928215      7.596155      5.064072
  F      -6.346931      6.601773      5.888343
  C      -4.936306      7.346249      4.096925
  C      -4.216597      6.069660      3.910897
  O      -3.682630      5.807840      2.834826
  C      -4.111683      5.082199      5.084172
  C      -4.630325      8.411518      3.238243
  C      -8.252124     -5.635733      4.513016
  C      -7.180071     -4.682030      4.985904
  O      -6.121728     -5.100690      5.447480
  C      -7.453194     -3.222398      4.858476
  C      -8.654489     -2.712235      4.328259
  C      -8.829427     -1.340039      4.213440
  C      -7.825295     -0.474518      4.619110
  F      -8.061954      0.852435      4.457370
  C      -6.608646     -0.929801      5.161762
  C      -5.461725     -0.101423      5.595021
  O      -4.432264     -0.649824      5.984293
  C      -5.531433      1.434583      5.524159
  C      -6.470049     -2.323642      5.265751
  H      -3.411497     -7.366097      3.757428
  H      -4.808743     -6.243640      3.902063
  H      -4.153141     -6.659738      2.295368
  H      -5.140092     -4.712303      1.829765
  H      -5.992291     -2.442045      1.284714
  H      -0.713864     -0.748977      4.359739
  H      -1.852963     -1.196297      5.666911
  H      -2.006164     -2.968429      4.177999
  H      -5.338692     12.516186      3.464942
  H      -6.589882     11.942698      2.339713
  H      -5.118036     12.733362      1.707201
  H      -6.690584     10.829915      4.458933
  H      -7.314766      8.953516      5.953622
  H      -4.238291      5.634261      6.029842
  H      -4.957858      4.379874      4.997980
  H      -3.879860      8.248761      2.467779
  H      -9.177904     -5.473631      5.076293
  H      -7.914779     -6.664027      4.663145
  H      -8.463412     -5.472043      3.450373
  H      -9.448735     -3.374383      3.999809
  H      -9.743888     -0.921264      3.801195
  H      -6.388180      1.758746      6.139985
  H      -5.759164      1.708658      4.482762
  H      -5.538781     -2.712326      5.671074
  N      -1.257587      2.767574      3.438881
87
Coordinates from ORCA-job orca E -6506.182603321616
  N      -1.444021      0.850611      5.483766
  Mo     -2.587823      2.374789      4.875410
  N      -4.256617      2.066468      5.944985
  C      -4.175375      2.370814      7.373464
  C      -2.726732      2.194220      7.862772
  N      -1.773148      2.881062      6.939679
  C      -0.401647      2.323356      7.058060
  C      -0.374443      0.926602      6.437024
  C      -1.741257      4.354362      7.190591
  C      -1.730137      5.025832      5.815488
  N      -2.793453      4.362654      5.088093
  H       0.611157      0.754932      5.952852
  H      -0.491748      0.137067      7.211908
  H       0.271036      2.990561      6.504073
  H      -0.087550      2.298720      8.115724
  H      -1.884218      6.114782      5.898825
  H      -0.762257      4.862487      5.310047
  H      -2.666936      4.648232      7.705966
  H      -0.879671      4.624066      7.822748
  H      -4.813536      1.686627      7.958668
  H      -4.532846      3.403910      7.573986
  H      -2.501249      1.120976      7.846553
  H      -2.601221      2.578530      8.890113
  C      -3.822275     -6.511002      3.468710
  C      -2.903852     -5.313279      3.542207
  O      -1.754326     -5.395835      3.970976
  C      -3.471900     -3.991043      3.117558
  C      -4.618973     -3.881790      2.310916
  C      -5.119058     -2.623997      1.974937
  C      -4.495399     -1.487306      2.466197
  F      -5.052645     -0.299738      2.145764
  C      -3.339266     -1.543970      3.291099
  C      -2.742032     -0.369594      3.903427
  O      -3.135648      0.799424      3.617327
  C      -1.600627     -0.457610      4.882788
  C      -2.844929     -2.831178      3.577232
  C      -5.652451     12.050711      2.475299
  C      -4.919540     10.728177      2.386609
  O      -4.033340     10.546055      1.556497
  C      -5.306912      9.641953      3.347287
  C      -6.281228      9.821238      4.346942
  C      -6.606476      8.771544      5.201108
  C      -5.946341      7.554298      5.070868
  F      -6.336041      6.551179      5.896037
  C      -4.951145      7.328451      4.103128
  C      -4.188498      6.055191      3.913702
  O      -3.661476      5.818947      2.840773
  C      -4.051463      5.070553      5.092303
  C      -4.671616      8.399267      3.240496
  C      -8.400368     -5.565241      4.362724
  C      -7.313069     -4.642129      4.871683
  O      -6.266352     -5.096597      5.337188
  C      -7.546799     -3.166447      4.777176
  C      -8.730257     -2.615684      4.240990
  C      -8.875409     -1.233998      4.149860
  C      -7.849917     -0.402562      4.588899
  F      -8.043008      0.930426      4.452367
  C      -6.652806     -0.896649      5.139903
  C      -5.483880     -0.090698      5.601903
  O      -4.477696     -0.676637      5.994202
  C      -5.512234      1.450241      5.541237
  C      -6.545300     -2.297147      5.219162
  H      -3.318821     -7.386818      3.894448
  H      -4.742246     -6.287698      4.039594
  H      -4.103011     -6.724749      2.425112
  H      -5.122375     -4.773177      1.934232
  H      -6.006086     -2.511517      1.348539
  H      -0.679142     -0.783778      4.339442
  H      -1.813542     -1.219557      5.660864
  H      -1.959915     -2.947243      4.206257
  H      -5.493759     12.510601      3.463644
  H      -6.734907     11.902440      2.337448
  H      -5.274550     12.724641      1.697922
  H      -6.797501     10.775780      4.461706
  H      -7.375209      8.879456      5.969290
  H      -4.192192      5.623222      6.040580
  H      -4.886097      4.349714      5.008937
  H      -3.915098      8.252396      2.466157
  H      -9.337225     -5.398397      4.917463
  H      -8.083116     -6.606101      4.494478
  H      -8.599375     -5.374497      3.296185
  H      -9.538361     -3.257064      3.885873
  H      -9.777295     -0.782374      3.731332
  H      -6.372581      1.783421      6.152983
  H      -5.732806      1.735655      4.498656
  H      -5.623929     -2.715413      5.629367
  N      -1.302609      2.739644      3.496986
87
Coordinates from ORCA-job orca E -6506.205957125144
  N      -1.405752      0.827629      5.498329
  Mo     -2.533304      2.375404      4.867876
  N      -4.257012      2.070539      5.932691
  C      -4.159485      2.387042      7.359415
  C      -2.709884      2.201029      7.853213
  N      -1.734467      2.876576      6.935027
  C      -0.367441      2.301904      7.070196
  C      -0.348514      0.898758      6.461652
  C      -1.694977      4.355656      7.182449
  C      -1.675583      5.033243      5.812774
  N      -2.742214      4.381370      5.082168
  H       0.644027      0.716296      5.991758
  H      -0.479081      0.115532      7.243581
  H       0.315837      2.962178      6.520073
  H      -0.065781      2.282290      8.131981
  H      -1.825663      6.122981      5.902796
  H      -0.707523      4.869209      5.305833
  H      -2.623344      4.651838      7.692779
  H      -0.835971      4.613042      7.825289
  H      -4.800291      1.711296      7.952756
  H      -4.505529      3.425329      7.558515
  H      -2.489780      1.126331      7.843382
  H      -2.584063      2.592019      8.878535
  C      -3.871292     -6.502070      3.495266
  C      -2.939143     -5.313527      3.564472
  O      -1.794512     -5.406792      4.006289
  C      -3.480709     -3.984322      3.122768
  C      -4.618915     -3.864899      2.304980
  C      -5.101573     -2.603483      1.952815
  C      -4.467316     -1.469429      2.442486
  F      -5.006405     -0.279962      2.114188
  C      -3.320550     -1.536214      3.276761
  C      -2.711508     -0.369054      3.895226
  O      -3.095974      0.801701      3.604906
  C      -1.580442     -0.471983      4.885557
  C      -2.842448     -2.827087      3.577839
  C      -5.725600     12.047476      2.494533
  C      -4.967695     10.738647      2.404736
  O      -4.070688     10.580116      1.580367
  C      -5.339809      9.634490      3.353394
  C      -6.325900      9.788271      4.345183
  C      -6.641012      8.728539      5.192243
  C      -5.953426      7.524289      5.056799
  F      -6.329010      6.507679      5.871168
  C      -4.947830      7.324680      4.097283
  C      -4.151824      6.057466      3.902994
  O      -3.619066      5.845972      2.832463
  C      -4.004740      5.072191      5.082458
  C      -4.678952      8.403609      3.243439
  C      -8.418177     -5.562286      4.372512
  C      -7.341123     -4.633953      4.893850
  O      -6.304386     -5.084343      5.384925
  C      -7.564410     -3.156227      4.781189
  C      -8.732490     -2.607222      4.212892
  C      -8.872836     -1.226095      4.099336
  C      -7.849308     -0.395572      4.551749
  F      -8.026319      0.934501      4.394712
  C      -6.669487     -0.888364      5.135387
  C      -5.498270     -0.076220      5.611725
  O      -4.512460     -0.670608      6.034341
  C      -5.510669      1.462600      5.526698
  C      -6.567689     -2.286361      5.236032
  H      -3.379396     -7.378494      3.934572
  H      -4.797488     -6.267079      4.053178
  H      -4.146594     -6.725287      2.450783
  H      -5.131710     -4.754172      1.932483
  H      -5.982661     -2.483731      1.318384
  H      -0.661945     -0.814045      4.343873
  H      -1.810514     -1.238409      5.657093
  H      -1.964794     -2.948658      4.217034
  H      -5.587195     12.506574      3.487716
  H      -6.805831     11.883570      2.347123
  H      -5.351602     12.732239      1.723948
  H      -6.860893     10.733924      4.459984
  H      -7.418560      8.816217      5.955010
  H      -4.165887      5.622988      6.031132
  H      -4.830197      4.340822      4.991201
  H      -3.912613      8.275055      2.474341
  H      -9.369136     -5.390537      4.903756
  H      -8.102483     -6.601667      4.522687
  H      -8.598062     -5.384353      3.299058
  H      -9.535073     -3.251866      3.847426
  H      -9.763188     -0.775348      3.654456
  H      -6.380413      1.808320      6.121140
  H      -5.718987      1.735940      4.477566
  H      -5.655745     -2.702188      5.671201
  N      -1.359268      2.714309      3.561598
87
Coordinates from ORCA-job orca E -6506.218802832548
  N      -1.347543      0.799287      5.501203
  Mo     -2.459665      2.370201      4.838658
  N      -4.236536      2.074473      5.902383
  C      -4.113243      2.409284      7.320876
  C      -2.661912      2.216746      7.815834
  N      -1.666994      2.876709      6.902508
  C      -0.307007      2.286446      7.054861
  C      -0.299020      0.871939      6.471269
  C      -1.619983      4.359101      7.142275
  C      -1.607895      5.038789      5.775916
  N      -2.682687      4.396438      5.054294
  H       0.699370      0.674237      6.018023
  H      -0.439897      0.105190      7.269180
  H       0.385376      2.935686      6.502799
  H      -0.015277      2.280011      8.119469
  H      -1.756555      6.128328      5.873384
  H      -0.644037      4.877054      5.258557
  H      -2.547543      4.655627      7.653438
  H      -0.761212      4.606583      7.790511
  H      -4.752497      1.745529      7.930405
  H      -4.446083      3.453202      7.517274
  H      -2.446415      1.141269      7.816087
  H      -2.533768      2.618047      8.836702
  C      -3.859934     -6.524641      3.635727
  C      -2.927377     -5.336217      3.670710
  O      -1.782148     -5.421325      4.108129
  C      -3.461947     -4.013927      3.200994
  C      -4.603565     -3.903755      2.388450
  C      -5.080373     -2.650085      2.008693
  C      -4.435811     -1.508061      2.469181
  F      -4.969195     -0.324151      2.122984
  C      -3.287835     -1.565949      3.296567
  C      -2.667525     -0.389685      3.897300
  O      -3.051625      0.772412      3.595087
  C      -1.541449     -0.490313      4.889614
  C      -2.814874     -2.850598      3.624525
  C      -5.853764     12.019340      2.554235
  C      -5.063803     10.731307      2.452016
  O      -4.162627     10.606119      1.627536
  C      -5.407504      9.606555      3.385487
  C      -6.398623      9.724914      4.375958
  C      -6.690279      8.650978      5.212781
  C      -5.971307      7.466383      5.064499
  F      -6.321990      6.431476      5.867492
  C      -4.961132      7.302845      4.105255
  C      -4.127330      6.052699      3.895525
  O      -3.596453      5.869922      2.817495
  C      -3.950123      5.067354      5.070870
  C      -4.715717      8.394457      3.263154
  C      -8.517759     -5.476140      4.264206
  C      -7.436170     -4.573214      4.816742
  O      -6.417779     -5.046452      5.320292
  C      -7.625576     -3.090485      4.717743
  C      -8.767342     -2.514136      4.128093
  C      -8.878923     -1.131242      4.018647
  C      -7.846466     -0.327349      4.499357
  F      -7.987807      1.006386      4.345294
  C      -6.693490     -0.848958      5.107922
  C      -5.509082     -0.057075      5.609499
  O      -4.550858     -0.675204      6.057164
  C      -5.489043      1.478800      5.505803
  C      -6.621206     -2.246849      5.203530
  H      -3.363252     -7.389275      4.091693
  H      -4.784249     -6.281766      4.191316
  H      -4.142883     -6.773378      2.599119
  H      -5.125221     -4.798004      2.041588
  H      -5.964424     -2.538557      1.377870
  H      -0.632748     -0.853085      4.345183
  H      -1.782756     -1.256566      5.658790
  H      -1.935477     -2.962531      4.261979
  H      -5.731642     12.472194      3.552212
  H      -6.929850     11.833036      2.404462
  H      -5.494447     12.720465      1.791797
  H      -6.956357     10.656111      4.497793
  H      -7.470620      8.710861      5.974478
  H      -4.124232      5.614650      6.021245
  H      -4.764856      4.323198      4.981968
  H      -3.945760      8.292547      2.494199
  H      -9.477268     -5.294662      4.775960
  H      -8.221819     -6.521799      4.408843
  H      -8.675994     -5.283907      3.190014
  H      -9.572973     -3.140962      3.739659
  H      -9.748245     -0.659373      3.555954
  H      -6.364210      1.843925      6.084194
  H      -5.691495      1.737483      4.451450
  H      -5.727484     -2.683448      5.654936
  N      -1.394893      2.684304      3.568607
87
Coordinates from ORCA-job orca E -6506.227145624120
  N      -1.313356      0.765832      5.510316
  Mo     -2.381049      2.362502      4.794730
  N      -4.206566      2.102547      5.835508
  C      -4.073561      2.465134      7.242536
  C      -2.631236      2.254360      7.757073
  N      -1.602653      2.883249      6.858328
  C      -0.260683      2.264163      7.043468
  C      -0.280540      0.834934      6.497055
  C      -1.535553      4.367007      7.083030
  C      -1.528770      5.036942      5.713629
  N      -2.615046      4.403365      5.005216
  H       0.722815      0.602982      6.072485
  H      -0.449763      0.095898      7.314991
  H       0.453398      2.886621      6.488429
  H       0.014102      2.278374      8.112294
  H      -1.670539      6.127470      5.810563
  H      -0.570745      4.869392      5.187079
  H      -2.459856      4.672126      7.594204
  H      -0.676891      4.605257      7.734953
  H      -4.723890      1.825708      7.866767
  H      -4.386721      3.518139      7.424748
  H      -2.431291      1.176379      7.776036
  H      -2.509482      2.668470      8.773112
  C      -3.895727     -6.557371      3.768058
  C      -2.959299     -5.373281      3.794452
  O      -1.822168     -5.456125      4.249025
  C      -3.474784     -4.056653      3.290143
  C      -4.609557     -3.950092      2.468372
  C      -5.066415     -2.702055      2.054418
  C      -4.410214     -1.557192      2.491935
  F      -4.923630     -0.374694      2.114580
  C      -3.271579     -1.611144      3.328118
  C      -2.641977     -0.424685      3.908843
  O      -3.021288      0.730196      3.590144
  C      -1.525680     -0.518935      4.909082
  C      -2.817290     -2.892233      3.690161
  C      -5.989877     11.987740      2.658722
  C      -5.162599     10.726126      2.535409
  O      -4.254008     10.645468      1.714760
  C      -5.478703      9.573069      3.441083
  C      -6.479355      9.642275      4.425890
  C      -6.744807      8.545403      5.240280
  C      -5.990663      7.386340      5.073149
  F      -6.314145      6.325433      5.854336
  C      -4.972006      7.271539      4.116959
  C      -4.099076      6.049646      3.886885
  O      -3.570494      5.898605      2.800601
  C      -3.884217      5.062137      5.052197
  C      -4.751521      8.385255      3.298699
  C      -8.548793     -5.390030      4.188857
  C      -7.478792     -4.494868      4.772987
  O      -6.480900     -4.973997      5.307903
  C      -7.649582     -3.012098      4.665151
  C      -8.761240     -2.426509      4.031705
  C      -8.852824     -1.044450      3.908518
  C      -7.827242     -0.250835      4.418870
  F      -7.948285      1.083858      4.251214
  C      -6.704446     -0.783293      5.072938
  C      -5.519079     -0.003426      5.601408
  O      -4.595646     -0.630737      6.105239
  C      -5.459767      1.524197      5.446706
  C      -6.653287     -2.179196      5.182529
  H      -3.407441     -7.414588      4.245176
  H      -4.828328     -6.306133      4.302030
  H      -4.165007     -6.823730      2.733007
  H      -5.141835     -4.844944      2.142366
  H      -5.943936     -2.593752      1.415519
  H      -0.625504     -0.908787      4.370173
  H      -1.782531     -1.279740      5.678433
  H      -1.944306     -3.000366      4.335215
  H      -5.889932     12.422895      3.666163
  H      -7.058896     11.775152      2.499198
  H      -5.645762     12.714165      1.914009
  H      -7.064124     10.553775      4.560907
  H      -7.530445      8.567169      5.997162
  H      -4.060255      5.602655      6.007034
  H      -4.692132      4.309528      4.971650
  H      -3.975687      8.320673      2.532768
  H      -9.523020     -5.199666      4.666772
  H      -8.265558     -6.436900      4.345213
  H      -8.672995     -5.199468      3.110732
  H      -9.558822     -3.046633      3.619023
  H      -9.698613     -0.565717      3.412714
  H      -6.340103      1.928034      5.993504
  H      -5.648715      1.745505      4.381507
  H      -5.781131     -2.622955      5.666318
  N      -1.356075      2.651355      3.502304
87
Coordinates from ORCA-job orca E -6506.233878609345
  N      -1.293211      0.740890      5.516016
  Mo     -2.316221      2.357495      4.746706
  N      -4.189858      2.128779      5.748419
  C      -4.052127      2.515971      7.143931
  C      -2.622662      2.291061      7.686031
  N      -1.558107      2.893934      6.811063
  C      -0.235087      2.252007      7.033575
  C      -0.278307      0.810842      6.521455
  C      -1.472618      4.377806      7.022624
  C      -1.466684      5.035410      5.648008
  N      -2.563191      4.412518      4.947116
  H       0.729046      0.546408      6.129270
  H      -0.477484      0.100767      7.356457
  H       0.500506      2.849345      6.479336
  H       0.020618      2.286568      8.106644
  H      -1.598485      6.127710      5.741649
  H      -0.513798      4.858830      5.116795
  H      -2.394308      4.692932      7.531931
  H      -0.616347      4.608664      7.679204
  H      -4.712800      1.898485      7.779812
  H      -4.350726      3.575660      7.313357
  H      -2.437144      1.211545      7.723412
  H      -2.516875      2.716042      8.698859
  C      -3.938404     -6.589211      3.882540
  C      -2.995170     -5.412708      3.909907
  O      -1.869974     -5.495740      4.390729
  C      -3.488069     -4.101815      3.371748
  C      -4.610014     -3.997880      2.532549
  C      -5.045449     -2.755241      2.087449
  C      -4.382435     -1.609478      2.511688
  F      -4.873828     -0.427902      2.101818
  C      -3.257827     -1.660628      3.364042
  C      -2.624868     -0.462360      3.925753
  O      -3.002042      0.682904      3.586827
  C      -1.517140     -0.544160      4.932604
  C      -2.823395     -2.938211      3.757690
  C      -6.091170     11.983721      2.790772
  C      -5.231998     10.747717      2.637581
  O      -4.315921     10.714716      1.822770
  C      -5.526323      9.562787      3.505615
  C      -6.536479      9.579549      4.482795
  C      -6.780351      8.455370      5.264962
  C      -5.996548      7.321558      5.072974
  F      -6.295558      6.231232      5.824337
  C      -4.969716      7.258270      4.121466
  C      -4.066718      6.065705      3.867686
  O      -3.537994      5.946644      2.775249
  C      -3.828670      5.070927      5.017593
  C      -4.769202      8.398510      3.335845
  C      -8.560771     -5.337833      4.166524
  C      -7.501554     -4.440718      4.764812
  O      -6.521163     -4.917529      5.331819
  C      -7.660017     -2.960062      4.630613
  C      -8.747141     -2.378143      3.954535
  C      -8.825477     -0.998670      3.805442
  C      -7.810201     -0.203356      4.331238
  F      -7.921525      1.129990      4.138825
  C      -6.711029     -0.732674      5.026944
  C      -5.529197      0.045471      5.571142
  O      -4.634832     -0.577679      6.129485
  C      -5.440432      1.563339      5.363736
  C      -6.673467     -2.125787      5.162960
  H      -3.465389     -7.441251      4.382385
  H      -4.882352     -6.326907      4.387891
  H      -4.186450     -6.869701      2.846732
  H      -5.149342     -4.892232      2.219877
  H      -5.911922     -2.648811      1.434657
  H      -0.624020     -0.960398      4.401280
  H      -1.785994     -1.297334      5.705141
  H      -1.960847     -3.044913      4.415320
  H      -6.011972     12.390872      3.810733
  H      -7.152762     11.750237      2.617547
  H      -5.759530     12.739652      2.071139
  H      -7.144162     10.471605      4.636668
  H      -7.571165      8.436718      6.015260
  H      -4.006927      5.604803      5.976265
  H      -4.635687      4.317141      4.940024
  H      -3.987724      8.373898      2.574621
  H      -9.546034     -5.134146      4.613186
  H      -8.288409     -6.383285      4.345720
  H      -8.656417     -5.162715      3.083792
  H      -9.535884     -2.999910      3.529886
  H      -9.652913     -0.523212      3.278429
  H      -6.326022      2.001064      5.877222
  H      -5.618023      1.744997      4.289216
  H      -5.819425     -2.566263      5.679368
  N      -1.322677      2.627571      3.408675
87
Coordinates from ORCA-job orca E -6506.238292755397
  N      -1.284878      0.722172      5.517874
  Mo     -2.262432      2.351739      4.696645
  N      -4.178050      2.158413      5.651626
  C      -4.040961      2.570332      7.037263
  C      -2.626553      2.331741      7.611065
  N      -1.525996      2.908405      6.761277
  C      -0.222570      2.245047      7.022987
  C      -0.289185      0.794218      6.543412
  C      -1.418345      4.392738      6.957474
  C      -1.410311      5.032361      5.574367
  N      -2.518221      4.419401      4.881644
  H       0.720107      0.496103      6.184111
  H      -0.522413      0.112825      7.392377
  H       0.534984      2.814858      6.469062
  H       0.015743      2.300373      8.099386
  H      -1.526696      6.127653      5.657991
  H      -0.462199      4.839481      5.041220
  H      -2.334585      4.724809      7.466242
  H      -0.560736      4.618531      7.613242
  H      -4.715028      1.976379      7.682373
  H      -4.325937      3.636515      7.189865
  H      -2.457752      1.250709      7.668321
  H      -2.542189      2.768202      8.620900
  C      -3.979310     -6.623080      3.977198
  C      -3.033063     -5.450523      4.019440
  O      -1.922689     -5.531706      4.534407
  C      -3.504737     -4.145986      3.448685
  C      -4.609811     -4.048253      2.586454
  C      -5.026317     -2.811269      2.111102
  C      -4.362248     -1.663116      2.527663
  F      -4.833693     -0.485959      2.082334
  C      -3.254412     -1.708190      3.402078
  C      -2.619374     -0.499004      3.945309
  O      -2.995775      0.637745      3.586838
  C      -1.516349     -0.568401      4.956070
  C      -2.838112     -2.981145      3.826887
  C      -6.160644     12.000848      2.939999
  C      -5.272868     10.789085      2.758747
  O      -4.341791     10.805005      1.960212
  C      -5.557899      9.568681      3.578219
  C      -6.586229      9.530375      4.535885
  C      -6.819530      8.375227      5.274637
  C      -6.008009      7.265846      5.059810
  F      -6.295505      6.144700      5.769942
  C      -4.963725      7.256117      4.124866
  C      -4.032202      6.093182      3.848737
  O      -3.497196      6.011045      2.755553
  C      -3.777083      5.084091      4.978566
  C      -4.773314      8.426758      3.382199
  C      -8.555582     -5.312239      4.177685
  C      -7.507084     -4.404574      4.778465
  O      -6.540024     -4.871771      5.376382
  C      -7.659736     -2.927173      4.608461
  C      -8.727739     -2.358659      3.891708
  C      -8.799479     -0.982559      3.710920
  C      -7.796715     -0.176759      4.243973
  F      -7.905676      1.153015      4.023563
  C      -6.715764     -0.692214      4.977330
  C      -5.542355      0.093352      5.530461
  O      -4.675114     -0.516464      6.143362
  C      -5.427046      1.601044      5.266544
  C      -6.684730     -2.082147      5.145849
  H      -3.524643     -7.471253      4.499907
  H      -4.938685     -6.352675      4.448139
  H      -4.196367     -6.913816      2.937238
  H      -5.151259     -4.943920      2.281604
  H      -5.878904     -2.709098      1.439663
  H      -0.628644     -1.007770      4.433019
  H      -1.792893     -1.311036      5.736492
  H      -1.987769     -3.084659      4.500731
  H      -6.109374     12.371932      3.975196
  H      -7.213721     11.751973      2.739424
  H      -5.832296     12.789030      2.254466
  H      -7.215640     10.403598      4.707729
  H      -7.623274      8.314180      6.008708
  H      -3.948473      5.608272      5.944239
  H      -4.587862      4.333821      4.902949
  H      -3.979075      8.444309      2.634403
  H      -9.549956     -5.095709      4.596866
  H      -8.290528     -6.354071      4.385870
  H      -8.627564     -5.160953      3.089677
  H      -9.507155     -2.988485      3.462132
  H      -9.613586     -0.517471      3.154834
  H      -6.316395      2.070860      5.745197
  H      -5.590015      1.742170      4.183579
  H      -5.845168     -2.511578      5.694220
  N      -1.307609      2.592192      3.332224
87
Coordinates from ORCA-job orca E -6506.241508966443
  N      -1.278784      0.707548      5.510289
  Mo     -2.216330      2.341700      4.646523
  N      -4.157163      2.186875      5.555476
  C      -4.024981      2.620118      6.933739
  C      -2.626018      2.368088      7.537790
  N      -1.494997      2.920699      6.711014
  C      -0.210334      2.237827      7.006783
  C      -0.300822      0.780567      6.554939
  C      -1.365152      4.404938      6.890232
  C      -1.358074      5.023130      5.496612
  N      -2.478280      4.417599      4.814785
  H       0.707532      0.450286      6.224212
  H      -0.567746      0.124108      7.413276
  H       0.566556      2.779655      6.451056
  H       0.016166      2.312111      8.084561
  H      -1.455944      6.121595      5.564058
  H      -0.415708      4.808929      4.962106
  H      -2.271820      4.756604      7.403377
  H      -0.500778      4.629067      7.536759
  H      -4.714450      2.049686      7.584354
  H      -4.296576      3.691728      7.068131
  H      -2.473681      1.286114      7.613479
  H      -2.564257      2.814963      8.544581
  C      -4.007688     -6.654707      4.098758
  C      -3.060368     -5.483452      4.142610
  O      -1.963721     -5.556523      4.687739
  C      -3.515387     -4.190218      3.534315
  C      -4.605867     -4.106171      2.652486
  C      -5.006781     -2.877640      2.142791
  C      -4.343101     -1.724096      2.544743
  F      -4.800519     -0.555669      2.063055
  C      -3.250055     -1.755621      3.438983
  C      -2.614456     -0.535916      3.960757
  O      -2.995130      0.593567      3.588206
  C      -1.509959     -0.591731      4.969945
  C      -2.848108     -3.020819      3.897616
  C      -6.239576     12.007952      3.095187
  C      -5.319936     10.824396      2.888129
  O      -4.373284     10.891530      2.110590
  C      -5.593372      9.568580      3.655792
  C      -6.640535      9.470922      4.588728
  C      -6.859797      8.284253      5.280140
  C      -6.017183      7.203167      5.043605
  F      -6.288042      6.051896      5.710829
  C      -4.955007      7.251252      4.129999
  C      -3.993316      6.121442      3.833299
  O      -3.446718      6.079068      2.743150
  C      -3.728170      5.093084      4.940346
  C      -4.777617      8.453000      3.435133
  C      -8.567325     -5.269857      4.169057
  C      -7.526284     -4.358300      4.776818
  O      -6.574807     -4.821432      5.402535
  C      -7.666677     -2.883754      4.577203
  C      -8.711369     -2.322923      3.820564
  C      -8.769628     -0.949923      3.613457
  C      -7.777511     -0.139466      4.158448
  F      -7.875452      1.187426      3.915375
  C      -6.719568     -0.646519      4.929302
  C      -5.556624      0.143127      5.493963
  O      -4.723090     -0.449321      6.167578
  C      -5.407304      1.636859      5.168127
  C      -6.701588     -2.033579      5.124783
  H      -3.568568     -7.494599      4.647223
  H      -4.977385     -6.372929      4.540746
  H      -4.199306     -6.963199      3.058960
  H      -5.148322     -5.005282      2.360522
  H      -5.847479     -2.785234      1.455303
  H      -0.625057     -1.044612      4.453200
  H      -1.784602     -1.323340      5.761555
  H      -2.009152     -3.115701      4.586743
  H      -6.218342     12.339993      4.144443
  H      -7.281821     11.742136      2.863009
  H      -5.916210     12.828936      2.446968
  H      -7.294574     10.321925      4.778018
  H      -7.676403      8.177691      5.994461
  H      -3.886284      5.604429      5.916003
  H      -4.545813      4.350345      4.864644
  H      -3.969964      8.516234      2.704556
  H      -9.569155     -5.038815      4.561621
  H      -8.314748     -6.309562      4.401428
  H      -8.613575     -5.137331      3.077296
  H      -9.482668     -2.955983      3.381687
  H      -9.566432     -0.490584      3.028413
  H      -6.295783      2.143349      5.609442
  H      -5.550907      1.735435      4.078077
  H      -5.879987     -2.456787      5.704191
  N      -1.294893      2.553438      3.254991
87
Coordinates from ORCA-job orca E -6506.243957382064
  N      -1.288944      0.698219      5.501054
  Mo     -2.192531      2.333718      4.607418
  N      -4.144391      2.215141      5.474023
  C      -4.019656      2.659009      6.850542
  C      -2.634676      2.395304      7.479304
  N      -1.479545      2.930165      6.673399
  C      -0.212502      2.227940      6.995998
  C      -0.327750      0.767618      6.564371
  C      -1.328682      4.413606      6.836820
  C      -1.322762      5.011638      5.433179
  N      -2.455056      4.415453      4.760239
  H       0.677510      0.407303      6.258067
  H      -0.627395      0.130424      7.426583
  H       0.580842      2.743306      6.437673
  H       0.007244      2.316500      8.074054
  H      -1.398204      6.113096      5.481447
  H      -0.386077      4.771782      4.899687
  H      -2.223058      4.784814      7.358297
  H      -0.453394      4.635797      7.468607
  H      -4.723276      2.105249      7.500411
  H      -4.280046      3.733548      6.974347
  H      -2.495451      1.312767      7.567086
  H      -2.594001      2.847867      8.484700
  C      -4.037381     -6.683586      4.166780
  C      -3.095961     -5.508074      4.228217
  O      -2.015622     -5.572037      4.806408
  C      -3.536478     -4.223483      3.591514
  C      -4.609146     -4.150713      2.687502
  C      -4.996501     -2.928415      2.151635
  C      -4.338072     -1.770560      2.549488
  F      -4.781492     -0.609474      2.038282
  C      -3.262527     -1.790844      3.465824
  C      -2.627216     -0.564664      3.973218
  O      -3.014114      0.559699      3.594886
  C      -1.516330     -0.609307      4.976424
  C      -2.873281     -3.050029      3.950553
  C      -6.280790     12.031802      3.233570
  C      -5.330415     10.874691      3.015592
  O      -4.356235     10.990410      2.278617
  C      -5.607970      9.584227      3.722044
  C      -6.687793      9.428827      4.608837
  C      -6.906965      8.211176      5.244333
  C      -6.033040      7.157168      4.999202
  F      -6.301118      5.977134      5.614944
  C      -4.939640      7.261511      4.127816
  C      -3.947102      6.162591      3.822834
  O      -3.368859      6.166196      2.748175
  C      -3.692863      5.108260      4.905709
  C      -4.761578      8.493929      3.489146
  C      -8.543822     -5.256541      4.201851
  C      -7.512018     -4.331203      4.805090
  O      -6.570214     -4.780028      5.455413
  C      -7.651745     -2.861515      4.572642
  C      -8.681910     -2.319267      3.782648
  C      -8.739564     -0.950676      3.547901
  C      -7.761833     -0.126121      4.097398
  F      -7.862175      1.196144      3.832286
  C      -6.717671     -0.614158      4.898801
  C      -5.570747      0.190117      5.469860
  O      -4.767702     -0.374675      6.201920
  C      -5.394408      1.667140      5.082574
  C      -6.700095     -1.997390      5.122042
  H      -3.612321     -7.517898      4.734520
  H      -5.019502     -6.399949      4.578990
  H      -4.197542     -7.000805      3.124258
  H      -5.148956     -5.052750      2.399706
  H      -5.822996     -2.844097      1.446017
  H      -0.632917     -1.066972      4.461614
  H      -1.781980     -1.331857      5.779244
  H      -2.047350     -3.138270      4.656151
  H      -6.305795     12.320726      4.295515
  H      -7.307633     11.755598      2.950245
  H      -5.949823     12.884562      2.631813
  H      -7.366778     10.258368      4.806072
  H      -7.747310      8.060549      5.922454
  H      -3.842222      5.603558      5.891963
  H      -4.521424      4.379657      4.817951
  H      -3.929330      8.601867      2.791956
  H      -9.551602     -5.016096      4.573248
  H      -8.295874     -6.290878      4.461722
  H      -8.571923     -5.148715      3.106654
  H      -9.442756     -2.962955      3.340970
  H      -9.526673     -0.505271      2.939207
  H      -6.281136      2.205329      5.488134
  H      -5.516114      1.725022      3.987668
  H      -5.890101     -2.406332      5.727698
  N      -1.305741      2.516857      3.192719
87
Coordinates from ORCA-job orca E -6506.245940366717
  N      -1.299138      0.691889      5.483829
  Mo     -2.187905      2.323382      4.577511
  N      -4.132528      2.236091      5.419051
  C      -4.010906      2.684334      6.796631
  C      -2.633824      2.413750      7.437685
  N      -1.465735      2.935792      6.642039
  C      -0.210927      2.218340      6.976997
  C      -0.347996      0.757096      6.559529
  C      -1.297434      4.417801      6.788177
  C      -1.301445      4.996244      5.375025
  N      -2.447784      4.408777      4.715998
  H       0.652438      0.373145      6.268115
  H      -0.671176      0.132815      7.422772
  H       0.590949      2.712018      6.410751
  H       0.012220      2.317464      8.053348
  H      -1.353677      6.099837      5.401899
  H      -0.372705      4.729228      4.840122
  H      -2.175101      4.806143      7.325597
  H      -0.405331      4.638988      7.395965
  H      -4.723300      2.140903      7.444853
  H      -4.263451      3.760112      6.914654
  H      -2.502919      1.331242      7.533432
  H      -2.605776      2.870249      8.441873
  C      -4.043175     -6.715062      4.239006
  C      -3.112160     -5.531313      4.306954
  O      -2.044161     -5.580542      4.908856
  C      -3.549345     -4.256967      3.647586
  C      -4.610801     -4.199511      2.729905
  C      -4.994251     -2.985035      2.172540
  C      -4.343825     -1.820337      2.562691
  F      -4.782157     -0.667873      2.028490
  C      -3.279318     -1.825272      3.492475
  C      -2.645493     -0.592394      3.984003
  O      -3.047377      0.526845      3.609349
  C      -1.517914     -0.623345      4.969916
  C      -2.893343     -3.076830      3.998623
  C      -6.314172     12.055330      3.349813
  C      -5.332499     10.924053      3.135197
  O      -4.326976     11.084037      2.450484
  C      -5.618716      9.603084      3.779305
  C      -6.735305      9.394438      4.607479
  C      -6.958527      8.149467      5.186383
  C      -6.053432      7.121332      4.943902
  F      -6.322569      5.916492      5.508566
  C      -4.924837      7.277742      4.126638
  C      -3.900829      6.208080      3.822336
  O      -3.280107      6.261840      2.772918
  C      -3.671229      5.121670      4.877428
  C      -4.741756      8.537397      3.545543
  C      -8.529887     -5.235397      4.200119
  C      -7.505342     -4.305238      4.808885
  O      -6.571280     -4.748889      5.473383
  C      -7.642048     -2.837677      4.561416
  C      -8.659407     -2.304213      3.748876
  C      -8.715694     -0.937743      3.501942
  C      -7.749589     -0.106725      4.061644
  F      -7.848561      1.213592      3.787900
  C      -6.717827     -0.585724      4.884330
  C      -5.586108      0.228278      5.465310
  O      -4.812621     -0.312483      6.246135
  C      -5.384381      1.688601      5.028018
  C      -6.700994     -1.967295      5.119187
  H      -3.622519     -7.541562      4.821194
  H      -5.032839     -6.433492      4.634049
  H      -4.183100     -7.041763      3.196590
  H      -5.145321     -5.106607      2.448164
  H      -5.811865     -2.912576      1.455323
  H      -0.636690     -1.074390      4.446580
  H      -1.760959     -1.340506      5.784235
  H      -2.075837     -3.154455      4.715231
  H      -6.394497     12.303070      4.419422
  H      -7.320590     11.771639      3.006779
  H      -5.971794     12.936120      2.796737
  H      -7.439489     10.203029      4.803966
  H      -7.825546      7.958499      5.819316
  H      -3.815154      5.598106      5.874719
  H      -4.513085      4.412270      4.769870
  H      -3.881446      8.686861      2.891277
  H      -9.542231     -4.989954      4.555423
  H      -8.287176     -6.267568      4.473308
  H      -8.541768     -5.138046      3.103555
  H      -9.411539     -2.952838      3.299626
  H      -9.493824     -0.498946      2.877042
  H      -6.265890      2.253693      5.406905
  H      -5.489099      1.714722      3.930886
  H      -5.901032     -2.369816      5.742228
  N      -1.345241      2.480229      3.133961
87
Coordinates from ORCA-job orca E -6506.247601751390
  N      -1.317618      0.689112      5.464826
  Mo     -2.202071      2.313934      4.553519
  N      -4.131643      2.255165      5.373011
  C      -4.018229      2.711007      6.751540
  C      -2.648427      2.436353      7.406289
  N      -1.468695      2.942062      6.618023
  C      -0.224719      2.210967      6.962338
  C      -0.378839      0.749820      6.554447
  C      -1.283089      4.422118      6.744861
  C      -1.294013      4.980458      5.322874
  N      -2.453363      4.402340      4.677544
  H       0.618122      0.347330      6.277894
  H      -0.724085      0.134388      7.415470
  H       0.583606      2.686524      6.389370
  H       0.002247      2.317839      8.037108
  H      -1.322104      6.085235      5.326573
  H      -0.372418      4.684573      4.789801
  H      -2.143587      4.828013      7.296859
  H      -0.374153      4.640546      7.328206
  H      -4.740778      2.177261      7.395163
  H      -4.264306      3.788600      6.858318
  H      -2.526654      1.353987      7.512612
  H      -2.630014      2.899838      8.407649
  C      -4.052111     -6.743900      4.276604
  C      -3.133102     -5.551538      4.362234
  O      -2.081786     -5.587891      4.993501
  C      -3.561462     -4.285900      3.680518
  C      -4.604538     -4.241994      2.741730
  C      -4.982625     -3.034396      2.165225
  C      -4.345459     -1.863192      2.556841
  F      -4.776117     -0.717796      2.001920
  C      -3.297761     -1.854704      3.505586
  C      -2.669312     -0.616242      3.988248
  O      -3.088254      0.497872      3.621023
  C      -1.524285     -0.632512      4.955633
  C      -2.916408     -3.099540      4.031471
  C      -6.313709     12.095617      3.462346
  C      -5.306957     10.984706      3.258326
  O      -4.266402     11.182907      2.639143
  C      -5.611623      9.635852      3.832700
  C      -6.768894      9.381770      4.588792
  C      -7.005936      8.112330      5.105985
  C      -6.074985      7.104693      4.874433
  F      -6.356252      5.877825      5.382450
  C      -4.907295      7.305452      4.124275
  C      -3.855083      6.259556      3.826943
  O      -3.180432      6.369290      2.816092
  C      -3.661944      5.135066      4.848428
  C      -4.709767      8.589742      3.605659
  C      -8.499593     -5.240291      4.241119
  C      -7.480863     -4.298296      4.841971
  O      -6.551645     -4.729018      5.521238
  C      -7.620893     -2.834625      4.572604
  C      -8.632468     -2.317849      3.742342
  C      -8.694510     -0.955071      3.476675
  C      -7.739614     -0.111272      4.036193
  F      -7.843809      1.205081      3.747602
  C      -6.713483     -0.573572      4.875801
  C      -5.598189      0.257124      5.460753
  O      -4.848068     -0.256673      6.281869
  C      -5.382187      1.701713      4.980431
  C      -6.690323     -1.951903      5.128510
  H      -3.639344     -7.564314      4.872871
  H      -5.051802     -6.467000      4.648906
  H      -4.165226     -7.075976      3.232790
  H      -5.130187     -5.153898      2.458756
  H      -5.786198     -2.973087      1.431265
  H      -0.644112     -1.070174      4.420639
  H      -1.741289     -1.346947      5.779055
  H      -2.112610     -3.166980      4.764379
  H      -6.457466     12.297725      4.534881
  H      -7.295071     11.815627      3.050410
  H      -5.952020     13.002298      2.966233
  H      -7.494146     10.173405      4.778092
  H      -7.902929      7.887135      5.683490
  H      -3.807655      5.589245      5.857141
  H      -4.517152      4.448201      4.713044
  H      -3.817772      8.774974      3.005095
  H      -9.515116     -4.989663      4.583439
  H      -8.258240     -6.267188      4.534723
  H      -8.501405     -5.162647      3.142882
  H      -9.376130     -2.976672      3.293889
  H      -9.469148     -0.529197      2.838628
  H      -6.261373      2.285356      5.335321
  H      -5.469623      1.699737      3.882356
  H      -5.895818     -2.341924      5.766319
  N      -1.405185      2.443842      3.083656
87
Coordinates from ORCA-job orca E -6506.249008972913
  N      -1.326511      0.686078      5.439607
  Mo     -2.226378      2.301645      4.536474
  N      -4.131687      2.268348      5.352291
  C      -4.016684      2.728486      6.731652
  C      -2.647015      2.452955      7.387566
  N      -1.465237      2.945352      6.595954
  C      -0.226449      2.205480      6.936722
  C      -0.393598      0.744708      6.536442
  C      -1.265067      4.423657      6.702565
  C      -1.289155      4.962609      5.272605
  N      -2.463047      4.393784      4.645980
  H       0.600276      0.330512      6.267424
  H      -0.751181      0.135108      7.396382
  H       0.580931      2.669060      6.352445
  H       0.012245      2.317515      8.008436
  H      -1.294272      6.067510      5.253896
  H      -0.376969      4.639310      4.738361
  H      -2.106547      4.845433      7.271469
  H      -0.338196      4.638993      7.258307
  H      -4.742803      2.200191      7.374237
  H      -4.257832      3.807032      6.829847
  H      -2.531112      1.370567      7.501891
  H      -2.627733      2.922565      8.386049
  C      -4.036825     -6.776624      4.340888
  C      -3.130609     -5.574264      4.424909
  O      -2.087038     -5.593954      5.069203
  C      -3.563710     -4.319014      3.727134
  C      -4.601961     -4.291667      2.782731
  C      -4.985160     -3.092955      2.191016
  C      -4.357490     -1.913531      2.572587
  F      -4.790715     -0.776577      2.002657
  C      -3.314041     -1.888522      3.525433
  C      -2.690745     -0.641967      3.993271
  O      -3.135065      0.465313      3.639612
  C      -1.519976     -0.639976      4.930735
  C      -2.927492     -3.124749      4.067295
  C      -6.323803     12.126717      3.557829
  C      -5.291673     11.036361      3.370824
  O      -4.221734     11.268974      2.817348
  C      -5.609091      9.664016      3.878794
  C      -6.801858      9.369529      4.561128
  C      -7.048680      8.080109      5.020849
  C      -6.092929      7.092123      4.805754
  F      -6.383792      5.846740      5.260335
  C      -4.890672      7.332393      4.124996
  C      -3.809753      6.309673      3.840405
  O      -3.082118      6.473238      2.874511
  C      -3.656648      5.145713      4.823171
  C      -4.682846      8.636871      3.664308
  C      -8.485918     -5.229265      4.224409
  C      -7.474710     -4.284419      4.833603
  O      -6.549146     -4.712550      5.518943
  C      -7.614645     -2.821257      4.560310
  C      -8.619645     -2.308588      3.720081
  C      -8.684716     -0.946269      3.452639
  C      -7.738192     -0.099082      4.020846
  F      -7.843217      1.216801      3.731134
  C      -6.718442     -0.557593      4.870623
  C      -5.615194      0.279813      5.467267
  O      -4.885859     -0.221239      6.314582
  C      -5.384714      1.713407      4.963155
  C      -6.692293     -1.935432      5.124847
  H      -3.619368     -7.588714      4.945163
  H      -5.040053     -6.506476      4.708283
  H      -4.142187     -7.116203      3.298903
  H      -5.120100     -5.209874      2.506189
  H      -5.784844     -3.045780      1.451810
  H      -0.644782     -1.057268      4.373165
  H      -1.700095     -1.356081      5.760828
  H      -2.127782     -3.178480      4.805627
  H      -6.530034     12.287052      4.627107
  H      -7.276493     11.850407      3.081186
  H      -5.947917     13.055453      3.116063
  H      -7.547519     10.144779      4.738141
  H      -7.971753      7.824403      5.541687
  H      -3.807931      5.577940      5.842357
  H      -4.524538      4.482961      4.659423
  H      -3.762852      8.853791      3.119212
  H      -9.505284     -4.979467      4.555338
  H      -8.245876     -6.254977      4.523188
  H      -8.475925     -5.154719      3.125993
  H      -9.356439     -2.970504      3.264989
  H      -9.454989     -0.523819      2.807188
  H      -6.258542      2.311179      5.306528
  H      -5.464183      1.696015      3.865287
  H      -5.903891     -2.322883      5.771602
  N      -1.489479      2.403843      3.033751
87
Coordinates from ORCA-job orca E -6506.250236256455
  N      -1.337550      0.684832      5.413279
  Mo     -2.258316      2.293614      4.523872
  N      -4.143847      2.280189      5.334291
  C      -4.030974      2.743763      6.714141
  C      -2.662446      2.466420      7.374271
  N      -1.477199      2.946435      6.583262
  C      -0.243300      2.199418      6.921390
  C      -0.417038      0.740134      6.521827
  C      -1.264083      4.422797      6.676253
  C      -1.291426      4.947934      5.240955
  N      -2.474979      4.390660      4.624399
  H       0.576951      0.319672      6.264420
  H      -0.788377      0.132948      7.377303
  H       0.564237      2.657262      6.332753
  H       0.001524      2.311157      7.991814
  H      -1.275340      6.052095      5.205778
  H      -0.385416      4.601711      4.709710
  H      -2.092085      4.857871      7.254342
  H      -0.325867      4.632367      7.215038
  H      -4.761459      2.218649      7.353121
  H      -4.267628      3.823306      6.803801
  H      -2.553148      1.383676      7.495133
  H      -2.643042      2.940619      8.370427
  C      -4.032221     -6.797676      4.370462
  C      -3.132473     -5.590759      4.457816
  O      -2.101492     -5.599137      5.122044
  C      -3.557883     -4.344627      3.739721
  C      -4.581889     -4.330385      2.779846
  C      -4.963877     -3.138963      2.173094
  C      -4.349497     -1.952705      2.554915
  F      -4.780169     -0.822185      1.970538
  C      -3.318592     -1.914986      3.520472
  C      -2.707658     -0.660590      3.984697
  O      -3.178279      0.439494      3.647076
  C      -1.516011     -0.641846      4.896296
  C      -2.931659     -3.144382      4.077138
  C      -6.313431     12.166060      3.638980
  C      -5.262861     11.090015      3.473345
  O      -4.166312     11.348731      2.987914
  C      -5.594607      9.699659      3.918721
  C      -6.819735      9.374577      4.525399
  C      -7.079537      8.069451      4.929676
  C      -6.105072      7.095537      4.734914
  F      -6.409974      5.835349      5.136575
  C      -4.870633      7.365940      4.127114
  C      -3.766194      6.360958      3.859300
  O      -2.979499      6.579458      2.952254
  C      -3.656909      5.157956      4.798749
  C      -4.649396      8.686540      3.721997
  C      -8.472865     -5.238523      4.270689
  C      -7.464225     -4.284734      4.869726
  O      -6.542908     -4.702224      5.566911
  C      -7.605303     -2.825228      4.577812
  C      -8.606825     -2.325169      3.726572
  C      -8.675060     -0.966326      3.442746
  C      -7.734360     -0.110141      4.006937
  F      -7.841016      1.202277      3.702579
  C      -6.718488     -0.556282      4.867620
  C      -5.626098      0.293879      5.467972
  O      -4.912478     -0.189829      6.338049
  C      -5.394604      1.718889      4.944707
  C      -6.688669     -1.930581      5.137815
  H      -3.619032     -7.602939      4.986508
  H      -5.040376     -6.528784      4.724521
  H      -4.124808     -7.145408      3.330308
  H      -5.091114     -5.253356      2.503274
  H      -5.752753     -3.103212      1.421973
  H      -0.645158     -1.035257      4.316323
  H      -1.662482     -1.365012      5.725891
  H      -2.143391     -3.186649      4.828025
  H      -6.579389     12.289829      4.699744
  H      -7.236206     11.899005      3.102400
  H      -5.922459     13.111363      3.248774
  H      -7.580943     10.137817      4.686095
  H      -8.026498      7.790418      5.391930
  H      -3.824770      5.567091      5.826955
  H      -4.533434      4.518218      4.600945
  H      -3.703708      8.927461      3.234321
  H      -9.494063     -4.982908      4.590699
  H      -8.235032     -6.259021      4.588124
  H      -8.455953     -5.182751      3.171409
  H      -9.338652     -2.994718      3.275037
  H      -9.443019     -0.553920      2.788480
  H      -6.268587      2.322502      5.276618
  H      -5.466090      1.686689      3.847169
  H      -5.904474     -2.308538      5.794899
  N      -1.578032      2.374832      2.994583
87
Coordinates from ORCA-job orca E -6506.251346028685
  N      -1.351474      0.679223      5.388331
  Mo     -2.300419      2.284341      4.523058
  N      -4.163755      2.298119      5.346127
  C      -4.038577      2.762020      6.725550
  C      -2.666374      2.476734      7.377048
  N      -1.483560      2.942653      6.577478
  C      -0.252826      2.186583      6.902572
  C      -0.437135      0.729472      6.502702
  C      -1.254103      4.416930      6.658106
  C      -1.286338      4.930098      5.218604
  N      -2.482085      4.388644      4.614594
  H       0.555479      0.302779      6.250819
  H      -0.816997      0.125178      7.356374
  H       0.551669      2.640132      6.306288
  H       0.004704      2.294533      7.970707
  H      -1.247471      6.032947      5.170071
  H      -0.389029      4.561156      4.686661
  H      -2.068280      4.866686      7.244403
  H      -0.305415      4.617843      7.182049
  H      -4.768907      2.240971      7.367273
  H      -4.265670      3.843501      6.811075
  H      -2.566387      1.392853      7.501528
  H      -2.636056      2.953539      8.371677
  C      -4.015927     -6.830739      4.387741
  C      -3.131985     -5.612422      4.479403
  O      -2.099906     -5.610761      5.142157
  C      -3.570358     -4.371006      3.761198
  C      -4.599637     -4.366470      2.806859
  C      -4.992921     -3.180040      2.197865
  C      -4.383509     -1.988412      2.571314
  F      -4.822071     -0.863054      1.983101
  C      -3.347410     -1.940907      3.530752
  C      -2.742899     -0.678569      3.985929
  O      -3.242004      0.414485      3.669989
  C      -1.523025     -0.645488      4.860452
  C      -2.949809     -3.165336      4.090599
  C      -6.310560     12.196810      3.675071
  C      -5.242198     11.133841      3.540529
  O      -4.125781     11.412866      3.115227
  C      -5.581158      9.731274      3.939581
  C      -6.831227      9.382605      4.478737
  C      -7.097512      8.067133      4.842788
  C      -6.105510      7.105825      4.674619
  F      -6.418684      5.835786      5.037492
  C      -4.845837      7.399361      4.132899
  C      -3.719002      6.410400      3.889278
  O      -2.881970      6.671852      3.040027
  C      -3.651910      5.172547      4.784532
  C      -4.617803      8.730783      3.768115
  C      -8.407422     -5.249553      4.252568
  C      -7.418507     -4.281843      4.862004
  O      -6.493525     -4.687399      5.561537
  C      -7.580649     -2.823310      4.574828
  C      -8.585963     -2.334446      3.721896
  C      -8.674743     -0.975242      3.444463
  C      -7.749423     -0.107434      4.016616
  F      -7.875121      1.204780      3.717534
  C      -6.730837     -0.542711      4.879737
  C      -5.652902      0.319126      5.493129
  O      -4.944165     -0.160891      6.368726
  C      -5.419641      1.740468      4.963655
  C      -6.680753     -1.917320      5.143877
  H      -3.588326     -7.634182      4.996516
  H      -5.025922     -6.578599      4.749479
  H      -4.111290     -7.172900      3.345925
  H      -5.103557     -5.293996      2.534924
  H      -5.785109     -3.153020      1.449620
  H      -0.664212     -1.015658      4.248660
  H      -1.630626     -1.379066      5.686113
  H      -2.157152     -3.198904      4.837432
  H      -6.630659     12.297188      4.723492
  H      -7.203365     11.932978      3.088224
  H      -5.909888     13.153280      3.323552
  H      -7.606862     10.135700      4.617921
  H      -8.062584      7.769761      5.253617
  H      -3.836677      5.561730      5.820018
  H      -4.537037      4.556372      4.557084
  H      -3.651805      8.990131      3.332321
  H      -9.435460     -5.011409      4.564393
  H      -8.155482     -6.267006      4.569326
  H      -8.382642     -5.190840      3.153396
  H      -9.305168     -3.013497      3.263810
  H      -9.446501     -0.571719      2.788917
  H      -6.289012      2.349243      5.297306
  H      -5.495004      1.704421      3.866689
  H      -5.894075     -2.286883      5.802986
  N      -1.688304      2.341123      2.964131
87
Coordinates from ORCA-job orca E -6506.252395131200
  N      -1.350954      0.677886      5.357124
  Mo     -2.331625      2.280084      4.519730
  N      -4.181209      2.309019      5.352483
  C      -4.048586      2.770105      6.731813
  C      -2.674379      2.477305      7.377591
  N      -1.492897      2.937010      6.576093
  C      -0.263990      2.175713      6.891049
  C      -0.450342      0.722021      6.482702
  C      -1.253273      4.409541      6.654859
  C      -1.280913      4.919171      5.214137
  N      -2.481144      4.391589      4.610570
  H       0.544100      0.294252      6.241033
  H      -0.841207      0.116686      7.330344
  H       0.539392      2.632173      6.295525
  H      -0.001389      2.274286      7.959052
  H      -1.226107      6.020677      5.161139
  H      -0.387184      4.537320      4.684510
  H      -2.062603      4.867235      7.241385
  H      -0.302352      4.603162      7.177554
  H      -4.778491      2.249774      7.374136
  H      -4.268453      3.852777      6.816480
  H      -2.581209      1.392189      7.501149
  H      -2.638464      2.952036      8.372930
  C      -3.994037     -6.842786      4.416024
  C      -3.108572     -5.624576      4.488634
  O      -2.081698     -5.611868      5.159414
  C      -3.548021     -4.391858      3.757000
  C      -4.573250     -4.399685      2.798341
  C      -4.972352     -3.219492      2.181135
  C      -4.373866     -2.021208      2.551553
  F      -4.818352     -0.902292      1.955652
  C      -3.341437     -1.961734      3.514291
  C      -2.753915     -0.690031      3.969739
  O      -3.285020      0.394167      3.678388
  C      -1.511591     -0.641676      4.812409
  C      -2.935996     -3.180318      4.080710
  C      -6.316425     12.216380      3.704859
  C      -5.233504     11.165284      3.597202
  O      -4.102886     11.462275      3.224695
  C      -5.574646      9.753132      3.957516
  C      -6.842243      9.384074      4.439475
  C      -7.109518      8.060509      4.771419
  C      -6.102196      7.111209      4.627156
  F      -6.417717      5.833473      4.960470
  C      -4.824729      7.424737      4.141210
  C      -3.678993      6.451266      3.919870
  O      -2.797788      6.751929      3.129553
  C      -3.645657      5.183307      4.770541
  C      -4.595412      8.764735      3.809048
  C      -8.421832     -5.244859      4.278076
  C      -7.433381     -4.276846      4.887193
  O      -6.512566     -4.681594      5.592548
  C      -7.588891     -2.819857      4.589320
  C      -8.590196     -2.333248      3.730560
  C      -8.674989     -0.975539      3.444998
  C      -7.749647     -0.106908      4.015767
  F      -7.870098      1.204495      3.709577
  C      -6.735431     -0.539813      4.883708
  C      -5.661070      0.326155      5.500678
  O      -4.962393     -0.146106      6.387891
  C      -5.436393      1.748441      4.971978
  C      -6.687966     -1.912760      5.155758
  H      -3.564832     -7.638418      5.033721
  H      -5.002167     -6.585252      4.778641
  H      -4.095621     -7.198518      3.379533
  H      -5.069689     -5.331999      2.529561
  H      -5.761105     -3.202526      1.429133
  H      -0.663244     -0.984235      4.171308
  H      -1.583118     -1.390536      5.627379
  H      -2.147620     -3.203341      4.832305
  H      -6.682189     12.295678      4.739983
  H      -7.181346     11.956348      3.076178
  H      -5.909586     13.182150      3.387759
  H      -7.629873     10.127832      4.559521
  H      -8.086465      7.747043      5.139656
  H      -3.854774      5.551168      5.811471
  H      -4.532901      4.584255      4.511454
  H      -3.614973      9.039989      3.418018
  H      -9.451294     -5.000626      4.579795
  H      -8.176110     -6.260809      4.604184
  H      -8.388809     -5.194565      3.178731
  H      -9.309541     -3.013364      3.274464
  H      -9.443744     -0.573967      2.784958
  H      -6.306946      2.354636      5.306622
  H      -5.513950      1.711029      3.875397
  H      -5.904585     -2.280128      5.819759
  N      -1.777558      2.323403      2.938498
87
Coordinates from ORCA-job orca E -6506.253428121861
  N      -1.360508      0.676638      5.327875
  Mo     -2.372452      2.276777      4.523314
  N      -4.209407      2.326423      5.375112
  C      -4.062445      2.784549      6.753224
  C      -2.685897      2.477544      7.387740
  N      -1.507754      2.930131      6.580771
  C      -0.280814      2.161449      6.882570
  C      -0.472803      0.712013      6.464117
  C      -1.257348      4.400755      6.659885
  C      -1.277750      4.908764      5.218601
  N      -2.481602      4.395806      4.612273
  H       0.521915      0.280459      6.231263
  H      -0.875562      0.106284      7.305816
  H       0.521787      2.620195      6.287647
  H      -0.011675      2.248201      7.950255
  H      -1.208621      6.009036      5.164151
  H      -0.387107      4.516433      4.690608
  H      -2.065032      4.865827      7.242997
  H      -0.307268      4.587486      7.186836
  H      -4.791370      2.268991      7.400477
  H      -4.270006      3.869563      6.838796
  H      -2.602535      1.390843      7.508449
  H      -2.640669      2.948257      8.384783
  C      -3.973635     -6.864173      4.415581
  C      -3.097255     -5.639241      4.487247
  O      -2.065930     -5.621598      5.151621
  C      -3.545246     -4.411324      3.753359
  C      -4.573966     -4.428067      2.798591
  C      -4.984163     -3.251213      2.182034
  C      -4.393443     -2.048112      2.549641
  F      -4.848147     -0.933763      1.953103
  C      -3.356843     -1.979869      3.507647
  C      -2.783942     -0.699959      3.962918
  O      -3.348384      0.374746      3.701298
  C      -1.514763     -0.636711      4.765637
  C      -2.939595     -3.195042      4.072593
  C      -6.303937     12.239314      3.697112
  C      -5.215495     11.191866      3.611369
  O      -4.076708     11.494932      3.269209
  C      -5.560015      9.776949      3.957533
  C      -6.837219      9.401593      4.408950
  C      -7.105946      8.075964      4.731274
  C      -6.091864      7.130880      4.606740
  F      -6.410391      5.852104      4.933331
  C      -4.804654      7.450051      4.150229
  C      -3.650765      6.483002      3.944760
  O      -2.736819      6.809101      3.202182
  C      -3.642054      5.194687      4.761326
  C      -4.573828      8.792874      3.828737
  C      -8.372754     -5.256278      4.272822
  C      -7.397832     -4.279051      4.889148
  O      -6.479841     -4.675258      5.603281
  C      -7.570224     -2.822804      4.596394
  C      -8.574454     -2.344717      3.735845
  C      -8.674679     -0.986887      3.455454
  C      -7.762098     -0.109272      4.033142
  F      -7.897745      1.202305      3.732679
  C      -6.746237     -0.533250      4.902770
  C      -5.684888      0.343014      5.529167
  O      -4.984983     -0.125265      6.417109
  C      -5.468488      1.767847      5.002270
  C      -6.682670     -1.906644      5.169915
  H      -3.533265     -7.659614      5.025779
  H      -4.981083     -6.616316      4.787548
  H      -4.082543     -7.215921      3.378289
  H      -5.064783     -5.364396      2.533025
  H      -5.775584     -3.240665      1.432523
  H      -0.682550     -0.950633      4.089979
  H      -1.544739     -1.402231      5.567032
  H      -2.148757     -3.211530      4.821947
  H      -6.696738     12.311966      4.722893
  H      -7.152051     11.980944      3.044997
  H      -5.891456     13.207955      3.396098
  H      -7.630186     10.142332      4.513058
  H      -8.089146      7.756983      5.077910
  H      -3.871127      5.546696      5.805616
  H      -4.530676      4.609358      4.478713
  H      -3.585281      9.072796      3.461964
  H      -9.407260     -5.021589      4.565303
  H      -8.120455     -6.269998      4.601130
  H      -8.330923     -5.205782      3.173607
  H      -9.283707     -3.031909      3.274264
  H      -9.446037     -0.592042      2.794154
  H      -6.336424      2.372705      5.344838
  H      -5.554715      1.733365      3.906362
  H      -5.896686     -2.266717      5.835004
  N      -1.876994      2.306861      2.922155
87
Coordinates from ORCA-job orca E -6506.254498646278
  N      -1.369703      0.676725      5.299647
  Mo     -2.409040      2.277007      4.535571
  N      -4.234413      2.344873      5.410570
  C      -4.070909      2.794798      6.788728
  C      -2.693115      2.467617      7.408796
  N      -1.518910      2.917217      6.597213
  C      -0.294561      2.138837      6.882537
  C      -0.494440      0.696334      6.446746
  C      -1.258036      4.385172      6.684196
  C      -1.267938      4.898638      5.244787
  N      -2.473918      4.402226      4.629883
  H       0.498934      0.259250      6.219805
  H      -0.910668      0.087046      7.279184
  H       0.508066      2.601351      6.290437
  H      -0.019093      2.208091      7.950097
  H      -1.186823      5.998105      5.195262
  H      -0.379288      4.500247      4.717528
  H      -2.067004      4.854445      7.262434
  H      -0.311459      4.563848      7.220439
  H      -4.799634      2.285240      7.441025
  H      -4.263194      3.882197      6.879848
  H      -2.620664      1.378827      7.520286
  H      -2.638173      2.928247      8.410394
  C      -3.955412     -6.881278      4.391517
  C      -3.084887     -5.651625      4.459899
  O      -2.051616     -5.629005      5.121618
  C      -3.545313     -4.424484      3.732775
  C      -4.579469     -4.445481      2.784061
  C      -5.002023     -3.268410      2.175592
  C      -4.418917     -2.062604      2.546292
  F      -4.884834     -0.949770      1.955745
  C      -3.376581     -1.990029      3.498191
  C      -2.817537     -0.704834      3.958414
  O      -3.414698      0.360236      3.733928
  C      -1.520695     -0.628632      4.716874
  C      -2.946548     -3.204852      4.054125
  C      -6.307734     12.246190      3.638551
  C      -5.211312     11.205120      3.580300
  O      -4.070346     11.511862      3.248181
  C      -5.551175      9.791747      3.938101
  C      -6.831298      9.413103      4.378985
  C      -7.093721      8.089365      4.714200
  C      -6.072021      7.149709      4.611933
  F      -6.386108      5.873599      4.952564
  C      -4.781305      7.471569      4.166007
  C      -3.620115      6.511045      3.979903
  O      -2.687194      6.848261      3.265227
  C      -3.630164      5.208460      4.770991
  C      -4.557094      8.813046      3.832448
  C      -8.318707     -5.261403      4.258473
  C      -7.363425     -4.276340      4.893440
  O      -6.443075     -4.666892      5.607835
  C      -7.552300     -2.820335      4.609460
  C      -8.559517     -2.348362      3.748315
  C      -8.675328     -0.989803      3.477441
  C      -7.775304     -0.105104      4.064003
  F      -7.927287      1.207241      3.774168
  C      -6.756544     -0.522714      4.933111
  C      -5.707060      0.361000      5.567283
  O      -5.006171     -0.103213      6.456433
  C      -5.498574      1.790431      5.045644
  C      -6.677600     -1.897248      5.191634
  H      -3.505676     -7.677300      4.994202
  H      -4.960851     -6.639718      4.773610
  H      -4.072965     -7.229568      3.353871
  H      -5.064402     -5.384550      2.517061
  H      -5.797076     -3.259961      1.429678
  H      -0.708682     -0.911394      4.004385
  H      -1.505787     -1.411844      5.500758
  H      -2.151357     -3.219656      4.799121
  H      -6.715222     12.328084      4.658001
  H      -7.145082     11.974450      2.977745
  H      -5.897294     13.214055      3.331916
  H      -7.630489     10.149726      4.464684
  H      -8.078245      7.767095      5.054529
  H      -3.872450      5.546613      5.817967
  H      -4.520644      4.635191      4.470536
  H      -3.565729      9.094935      3.474466
  H      -9.359412     -5.043618      4.542344
  H      -8.055995     -6.274850      4.579647
  H      -8.266238     -5.199671      3.160053
  H      -9.259065     -3.040853      3.279662
  H      -9.449825     -0.599668      2.816720
  H      -6.362035      2.393929      5.400415
  H      -5.594589      1.763731      3.950606
  H      -5.888672     -2.251810      5.856455
  N      -1.969215      2.298519      2.918265
87
Coordinates from ORCA-job orca E -6506.255670448285
  N      -1.384635      0.683991      5.265704
  Mo     -2.449150      2.279908      4.541948
  N      -4.263661      2.360451      5.440231
  C      -4.085861      2.802713      6.818650
  C      -2.708307      2.456359      7.425304
  N      -1.538237      2.906990      6.610400
  C      -0.315853      2.120737      6.880101
  C      -0.521909      0.686409      6.424365
  C      -1.270479      4.372081      6.707138
  C      -1.266802      4.892362      5.270222
  N      -2.472103      4.409157      4.642337
  H       0.469434      0.243536      6.201854
  H      -0.952429      0.071709      7.245232
  H       0.486961      2.588128      6.291902
  H      -0.035388      2.171435      7.947506
  H      -1.178650      5.991558      5.227338
  H      -0.377651      4.492087      4.745348
  H      -2.084237      4.843034      7.277579
  H      -0.330017      4.545356      7.256111
  H      -4.815508      2.301071      7.475975
  H      -4.263607      3.892084      6.914732
  H      -2.644828      1.365720      7.525408
  H      -2.646207      2.904789      8.432469
  C      -3.930666     -6.898232      4.374909
  C      -3.068108     -5.662219      4.438914
  O      -2.030403     -5.633554      5.093694
  C      -3.541997     -4.438085      3.715401
  C      -4.580509     -4.466528      2.771834
  C      -5.016347     -3.290632      2.169333
  C      -4.443196     -2.081037      2.542292
  F      -4.921552     -0.970879      1.956488
  C      -3.396412     -2.000929      3.489159
  C      -2.853724     -0.710213      3.953657
  O      -3.484207      0.342075      3.768224
  C      -1.531079     -0.615592      4.666119
  C      -2.952247     -3.213832      4.037801
  C      -6.291568     12.261306      3.586912
  C      -5.194204     11.220379      3.543521
  O      -4.052997     11.523378      3.208604
  C      -5.533974      9.811604      3.920518
  C      -6.813999      9.438408      4.366506
  C      -7.074316      8.118953      4.719870
  C      -6.052335      7.178353      4.629892
  F      -6.366498      5.907752      4.989523
  C      -4.761051      7.494221      4.179077
  C      -3.601004      6.533193      4.002920
  O      -2.653555      6.875641      3.309056
  C      -3.624869      5.221985      4.778420
  C      -4.539472      8.832217      3.828498
  C      -8.261661     -5.273734      4.245411
  C      -7.324723     -4.280728      4.896172
  O      -6.407312     -4.664128      5.618079
  C      -7.531018     -2.825439      4.620310
  C      -8.539494     -2.361133      3.755679
  C      -8.671739     -1.002390      3.493522
  C      -7.787111     -0.109599      4.090972
  F      -7.956398      1.202788      3.811494
  C      -6.766759     -0.519244      4.962306
  C      -5.732494      0.373420      5.603037
  O      -5.031935     -0.082120      6.497147
  C      -5.531887      1.806781      5.083151
  C      -6.672009     -1.894660      5.213014
  H      -3.470520     -7.693913      4.970165
  H      -4.933501     -6.663115      4.768019
  H      -4.056407     -7.243798      3.337204
  H      -5.057809     -5.409388      2.504239
  H      -5.814145     -3.286177      1.426125
  H      -0.741113     -0.866418      3.918586
  H      -1.467804     -1.411842      5.433429
  H      -2.153861     -3.225401      4.779718
  H      -6.700119     12.355477      4.604978
  H      -7.127386     11.979586      2.928218
  H      -5.881751     13.225660      3.268373
  H      -7.613912     10.175498      4.441833
  H      -8.058304      7.800303      5.065607
  H      -3.873769      5.547268      5.827766
  H      -4.517104      4.658757      4.464358
  H      -3.547723      9.109344      3.467367
  H      -9.307959     -5.069221      4.518743
  H      -7.991482     -6.286201      4.563683
  H      -8.196781     -5.204733      3.147947
  H      -9.227338     -3.059448      3.278361
  H      -9.448106     -0.618127      2.831311
  H      -6.390812      2.408912      5.449784
  H      -5.635565      1.787317      3.989074
  H      -5.881674     -2.242401      5.880004
  N      -2.061092      2.290617      2.911590
87
Coordinates from ORCA-job orca E -6506.256984046659
  N      -1.408702      0.698940      5.225406
  Mo     -2.494270      2.286851      4.543562
  N      -4.296528      2.373504      5.465398
  C      -4.106757      2.806468      6.845461
  C      -2.730532      2.441698      7.439802
  N      -1.564624      2.896762      6.623104
  C      -0.344119      2.103365      6.875354
  C      -0.555945      0.679826      6.394642
  C      -1.291887      4.358169      6.732542
  C      -1.271959      4.888033      5.299636
  N      -2.475132      4.416922      4.654731
  H       0.431949      0.231125      6.171492
  H      -1.000012      0.055794      7.200570
  H       0.458378      2.577288      6.291703
  H      -0.058439      2.132795      7.942178
  H      -1.180057      5.987367      5.265631
  H      -0.380593      4.488919      4.778445
  H      -2.111848      4.828813      7.294544
  H      -0.358475      4.526451      7.295395
  H      -4.838925      2.313386      7.506052
  H      -4.271595      3.897157      6.947094
  H      -2.674252      1.349389      7.525559
  H      -2.662564      2.875197      8.453600
  C      -3.900332     -6.914325      4.360426
  C      -3.046719     -5.671243      4.418390
  O      -2.006303     -5.633303      5.068189
  C      -3.535168     -4.451873      3.696236
  C      -4.575667     -4.490461      2.755542
  C      -5.026268     -3.317068      2.157736
  C      -4.467119     -2.102585      2.534358
  F      -4.958998     -0.995457      1.953348
  C      -3.418236     -2.012424      3.478077
  C      -2.894491     -0.716428      3.947438
  O      -3.557684      0.319673      3.803478
  C      -1.548854     -0.597597      4.612392
  C      -2.957897     -3.221707      4.020457
  C      -6.262942     12.283384      3.536062
  C      -5.167118     11.240243      3.503149
  O      -4.027037     11.535202      3.158004
  C      -5.509054      9.837859      3.903124
  C      -6.787613      9.474716      4.361174
  C      -7.048056      8.161103      4.735517
  C      -6.029350      7.216370      4.653925
  F      -6.345730      5.952989      5.035051
  C      -4.738710      7.521830      4.191606
  C      -3.583401      6.556436      4.024631
  O      -2.626925      6.894924      3.340610
  C      -3.622610      5.239229      4.790773
  C      -4.517687      8.854781      3.821044
  C      -8.200088     -5.292588      4.238414
  C      -7.283849     -4.290433      4.905580
  O      -6.368097     -4.665055      5.633723
  C      -7.508072     -2.836578      4.635212
  C      -8.517067     -2.382099      3.765444
  C      -8.666687     -1.024013      3.509681
  C      -7.798864     -0.121873      4.117274
  F      -7.986293      1.189378      3.846215
  C      -6.777038     -0.521567      4.992483
  C      -5.760764      0.381560      5.637552
  O      -5.060685     -0.061679      6.538858
  C      -5.567681      1.817403      5.115752
  C      -6.666077     -1.897223      5.237496
  H      -3.431260     -7.707513      4.951928
  H      -4.900873     -6.683653      4.761948
  H      -4.030979     -7.260388      3.323531
  H      -5.042590     -5.438103      2.486572
  H      -5.825113     -3.318484      1.415557
  H      -0.782550     -0.815577      3.831911
  H      -1.433563     -1.401094      5.364793
  H      -2.158087     -3.228375      4.761183
  H      -6.666044     12.392260      4.554852
  H      -7.101123     11.991593      2.884839
  H      -5.854055     13.242646      3.201399
  H      -7.585785     10.214283      4.429679
  H      -8.030783      7.850056      5.091828
  H      -3.870797      5.550445      5.842717
  H      -4.518342      4.688268      4.464420
  H      -3.526499      9.123637      3.451829
  H      -9.251852     -5.103179      4.501320
  H      -7.920801     -6.303560      4.553592
  H      -8.122436     -5.215589      3.142304
  H      -9.192124     -3.087034      3.279831
  H      -9.444554     -0.647300      2.844823
  H      -6.421835      2.418087      5.494747
  H      -5.676621      1.804878      4.022715
  H      -5.875274     -2.236572      5.908391
  N      -2.157931      2.284323      2.902739
87
Coordinates from ORCA-job orca E -6506.258408364993
  N      -1.441427      0.720393      5.179769
  Mo     -2.549230      2.296339      4.541848
  N      -4.335799      2.381653      5.488493
  C      -4.135424      2.804147      6.871122
  C      -2.759373      2.425219      7.453023
  N      -1.599448      2.887797      6.634333
  C      -0.379011      2.090307      6.865362
  C      -0.594102      0.678729      6.356642
  C      -1.324521      4.345613      6.756458
  C      -1.288766      4.884674      5.327785
  N      -2.489215      4.424158      4.665415
  H       0.390448      0.227438      6.127214
  H      -1.047232      0.041500      7.146277
  H       0.420663      2.573863      6.285483
  H      -0.085896      2.097495      7.930579
  H      -1.194527      5.984055      5.301884
  H      -0.394445      4.487293      4.811401
  H      -2.150148      4.814807      7.311395
  H      -0.397254      4.510021      7.331042
  H      -4.869347      2.316817      7.533395
  H      -4.291385      3.895312      6.978501
  H      -2.707280      1.331540      7.523504
  H      -2.685089      2.843177      8.473255
  C      -3.850986     -6.932018      4.356910
  C      -3.008757     -5.680280      4.402300
  O      -1.963774     -5.628541      5.043244
  C      -3.517858     -4.468651      3.681108
  C      -4.563380     -4.521995      2.747122
  C      -5.034977     -3.354179      2.153718
  C      -4.492752     -2.132556      2.530283
  F      -5.003906     -1.030373      1.955606
  C      -3.439226     -2.027859      3.466838
  C      -2.937458     -0.724747      3.938961
  O      -3.634740      0.290793      3.838697
  C      -1.570947     -0.574188      4.553475
  C      -2.956079     -3.230363      4.002999
  C      -6.210639     12.319721      3.493925
  C      -5.122348     11.268332      3.466549
  O      -3.982684     11.549096      3.109522
  C      -5.473091      9.874245      3.888782
  C      -6.750930      9.527994      4.361209
  C      -7.018423      8.221656      4.755217
  C      -6.008734      7.267116      4.678670
  F      -6.333892      6.012606      5.080038
  C      -4.718381      7.555435      4.202492
  C      -3.573008      6.579323      4.040816
  O      -2.607628      6.909855      3.365290
  C      -3.630091      5.258399      4.801937
  C      -4.490742      8.882058      3.813320
  C      -8.141818     -5.318240      4.228782
  C      -7.243122     -4.308012      4.908297
  O      -6.328240     -4.674318      5.641180
  C      -7.486760     -2.855485      4.646080
  C      -8.498342     -2.410219      3.774476
  C      -8.666617     -1.052905      3.526699
  C      -7.814589     -0.142120      4.143287
  F      -8.020789      1.167764      3.881895
  C      -6.789392     -0.532610      5.019765
  C      -5.790089      0.380585      5.667812
  O      -5.091881     -0.049991      6.577446
  C      -5.608143      1.819338      5.146254
  C      -6.661014     -1.908343      5.257306
  H      -3.369246     -7.719709      4.945419
  H      -4.847885     -6.706226      4.770093
  H      -3.989547     -7.281914      3.322506
  H      -5.017669     -5.476134      2.479701
  H      -5.837509     -3.365634      1.415638
  H      -0.830507     -0.755343      3.740629
  H      -1.398819     -1.381482      5.289532
  H      -2.152386     -3.227729      4.739716
  H      -6.604754     12.443792      4.514430
  H      -7.054509     12.023789      2.852175
  H      -5.798472     13.271937      3.143734
  H      -7.543031     10.274208      4.425809
  H      -8.000804      7.923870      5.123549
  H      -3.875665      5.557606      5.855633
  H      -4.529955      4.721251      4.463827
  H      -3.499707      9.137352      3.434052
  H      -9.197548     -5.143180      4.485234
  H      -7.852759     -6.327577      4.540266
  H      -8.055692     -5.233546      3.133986
  H      -9.161297     -3.121248      3.281378
  H      -9.447454     -0.683400      2.861361
  H      -6.458953      2.415503      5.539202
  H      -5.722312      1.814780      4.054383
  H      -5.868269     -2.239959      5.929791
  N      -2.271206      2.278089      2.891240
87
Coordinates from ORCA-job orca E -6506.260994777479
  N      -1.484303      0.749243      5.128505
  Mo     -2.613641      2.308900      4.535383
  N      -4.381472      2.384541      5.507788
  C      -4.172252      2.795428      6.894077
  C      -2.795426      2.406723      7.463820
  N      -1.643127      2.880254      6.643202
  C      -0.421136      2.081847      6.849672
  C      -0.637093      0.683866      6.309784
  C      -1.368905      4.334414      6.778329
  C      -1.317325      4.882851      5.354370
  N      -2.514356      4.431011      4.673608
  H       0.343980      0.233340      6.067747
  H      -1.094709      0.029286      7.081410
  H       0.373273      2.578061      6.272974
  H      -0.118537      2.065861      7.912160
  H      -1.223052      5.982353      5.336264
  H      -0.419081      4.488547      4.843931
  H      -2.200103      4.800717      7.327222
  H      -0.447095      4.496173      7.363002
  H      -4.907674      2.311579      7.556327
  H      -4.323534      3.886280      7.007437
  H      -2.744191      1.312018      7.517777
  H      -2.714711      2.808306      8.490395
  C      -3.782596     -6.950029      4.365967
  C      -2.954404     -5.688159      4.391953
  O      -1.903622     -5.617593      5.020573
  C      -3.489959     -4.487816      3.670695
  C      -4.542693     -4.561052      2.746695
  C      -5.041161     -3.402310      2.156920
  C      -4.519323     -2.171329      2.529856
  F      -5.055171     -1.076275      1.962774
  C      -3.459433     -2.047132      3.455737
  C      -2.982808     -0.735374      3.928312
  O      -3.714259      0.255059      3.873086
  C      -1.598965     -0.545326      4.490514
  C      -2.947180     -3.239180      3.986171
  C      -6.134748     12.369823      3.461301
  C      -5.060390     11.303965      3.432456
  O      -3.921663     11.563753      3.058681
  C      -5.425759      9.920489      3.877907
  C      -6.702148      9.598629      4.370303
  C      -6.982855      8.301329      4.783973
  C      -5.988660      7.331017      4.707252
  F      -6.328350      6.087382      5.128852
  C      -4.699629      7.594844      4.211659
  C      -3.570361      6.601261      4.050183
  O      -2.598484      6.917589      3.377582
  C      -3.646993      5.279909      4.812949
  C      -4.459003      8.913496      3.803934
  C      -8.087410     -5.351196      4.216648
  C      -7.203349     -4.333677      4.904922
  O      -6.288497     -4.691932      5.641061
  C      -7.467472     -2.882520      4.652766
  C      -8.483246     -2.446191      3.781899
  C      -8.671100     -1.089924      3.543064
  C      -7.833971     -0.171037      4.167526
  F      -8.059229      1.137052      3.916508
  C      -6.803811     -0.552759      5.043333
  C      -5.820885      0.370226      5.692562
  O      -5.125893     -0.046750      6.611929
  C      -5.653060      1.811937      5.172478
  C      -6.657286     -1.928302      5.272227
  H      -3.285137     -7.728719      4.953152
  H      -4.774590     -6.728767      4.793077
  H      -3.930935     -7.307941      3.335996
  H      -4.981714     -5.523414      2.483711
  H      -5.849369     -3.428268      1.425579
  H      -0.886512     -0.687192      3.646931
  H      -1.365848     -1.351010      5.209975
  H      -2.137795     -3.222639      4.716536
  H      -6.513317     12.510016      4.485446
  H      -6.989178     12.075351      2.833366
  H      -5.716179     13.312784      3.094461
  H      -7.483352     10.355843      4.435506
  H      -7.964722      8.023024      5.168217
  H      -3.885443      5.569044      5.867845
  H      -4.552143      4.758082      4.464940
  H      -3.468836      9.149424      3.410193
  H      -9.145763     -5.189808      4.470423
  H      -7.787971     -6.358720      4.523901
  H      -7.996644     -5.259173      3.123074
  H      -9.134716     -3.162851      3.282062
  H      -9.456033     -0.727514      2.878902
  H      -6.501787      2.400761      5.580754
  H      -5.771660      1.816319      4.081875
  H      -5.861534     -2.252607      5.944607
  N      -2.398516      2.272252      2.876850
87
Coordinates from ORCA-job orca E -6506.261455312901
  N      -1.490961      0.755810      5.114942
  Mo     -2.636384      2.300035      4.539083
  N      -4.392415      2.383435      5.517239
  C      -4.178775      2.795778      6.903455
  C      -2.799928      2.401580      7.462027
  N      -1.653598      2.881043      6.636904
  C      -0.428642      2.085544      6.838363
  C      -0.649313      0.686436      6.303006
  C      -1.382255      4.335514      6.766107
  C      -1.326846      4.873719      5.337222
  N      -2.527648      4.422093      4.661244
  H       0.328748      0.228541      6.063783
  H      -1.115978      0.035300      7.071951
  H       0.361308      2.578572      6.252603
  H      -0.117766      2.073447      7.898521
  H      -1.227424      5.972574      5.308565
  H      -0.431031      4.469171      4.830581
  H      -2.214534      4.803829      7.311784
  H      -0.460012      4.502891      7.348786
  H      -4.913782      2.317541      7.569591
  H      -4.326006      3.887054      7.014503
  H      -2.748754      1.306454      7.507911
  H      -2.713893      2.795038      8.491495
  C      -3.718905     -6.972740      4.389662
  C      -2.904400     -5.701543      4.411112
  O      -1.854658     -5.616611      5.039523
  C      -3.457978     -4.508061      3.691849
  C      -4.516287     -4.593788      2.775537
  C      -5.027554     -3.441247      2.183954
  C      -4.513920     -2.204926      2.549294
  F      -5.057421     -1.115982      1.977045
  C      -3.450931     -2.067989      3.469844
  C      -2.985103     -0.751269      3.936773
  O      -3.739168      0.224195      3.915020
  C      -1.589488     -0.536769      4.464703
  C      -2.924476     -3.253495      4.000471
  C      -6.113643     12.379802      3.456491
  C      -5.043459     11.309508      3.427609
  O      -3.903656     11.563651      3.053645
  C      -5.414100      9.928968      3.879029
  C      -6.690515      9.614197      4.375607
  C      -6.975115      8.319431      4.794516
  C      -5.985571      7.344327      4.718816
  F      -6.330713      6.104587      5.146685
  C      -4.696369      7.600749      4.218372
  C      -3.572333      6.602144      4.053377
  O      -2.587440      6.926796      3.404126
  C      -3.655716      5.276851      4.810297
  C      -4.452019      8.917535      3.806661
  C      -8.095538     -5.334293      4.154609
  C      -7.207347     -4.324327      4.849389
  O      -6.284507     -4.690573      5.571423
  C      -7.486168     -2.870019      4.630913
  C      -8.517548     -2.424146      3.783438
  C      -8.718715     -1.064769      3.574398
  C      -7.878173     -0.152127      4.203299
  F      -8.119963      1.158764      3.986693
  C      -6.830871     -0.543499      5.055095
  C      -5.841327      0.372246      5.698664
  O      -5.155967     -0.043167      6.626377
  C      -5.668196      1.815260      5.181550
  C      -6.674198     -1.922380      5.257465
  H      -3.209359     -7.746847      4.972642
  H      -4.709323     -6.760519      4.825722
  H      -3.870709     -7.331094      3.360371
  H      -4.947972     -5.560994      2.517641
  H      -5.838197     -3.476700      1.455508
  H      -0.894120     -0.650293      3.603300
  H      -1.317311     -1.341370      5.171024
  H      -2.110571     -3.228253      4.725824
  H      -6.489915     12.522212      4.481283
  H      -6.969378     12.086892      2.829492
  H      -5.692396     13.320957      3.087872
  H      -7.469057     10.374328      4.440043
  H      -7.957279      8.046843      5.182464
  H      -3.886456      5.558293      5.868172
  H      -4.564659      4.763338      4.460650
  H      -3.461708      9.147817      3.409501
  H      -9.151478     -5.181005      4.423355
  H      -7.789111     -6.345679      4.441955
  H      -8.016624     -5.223915      3.061752
  H      -9.171702     -3.135398      3.279214
  H      -9.517125     -0.695230      2.930339
  H      -6.511255      2.407439      5.596287
  H      -5.785724      1.827777      4.091401
  H      -5.865811     -2.254130      5.911093
  N      -2.447409      2.246609      2.875870
87
Coordinates from ORCA-job orca E -6506.261812738687
  N      -1.511492      0.753783      5.118436
  Mo     -2.657479      2.297571      4.544961
  N      -4.412213      2.390801      5.519276
  C      -4.199885      2.808922      6.907082
  C      -2.821824      2.406502      7.463493
  N      -1.672143      2.879905      6.635244
  C      -0.448690      2.081206      6.840319
  C      -0.677361      0.679236      6.314550
  C      -1.393293      4.333759      6.758124
  C      -1.328508      4.862928      5.325349
  N      -2.536888      4.419157      4.654293
  H       0.296344      0.210316      6.080208
  H      -1.155922      0.036414      7.082678
  H       0.340922      2.564374      6.246201
  H      -0.135051      2.078468      7.899640
  H      -1.216093      5.959692      5.288483
  H      -0.438381      4.441554      4.822990
  H      -2.223070      4.809446      7.300586
  H      -0.468999      4.498564      7.338337
  H      -4.940292      2.339513      7.573267
  H      -4.340724      3.901588      7.011159
  H      -2.777384      1.311152      7.505378
  H      -2.729246      2.795551      8.493991
  C      -3.717773     -6.989192      4.349411
  C      -2.913772     -5.712040      4.398129
  O      -1.871170     -5.627829      5.038329
  C      -3.461257     -4.516451      3.677451
  C      -4.511091     -4.599530      2.751222
  C      -5.019831     -3.445843      2.159992
  C      -4.510734     -2.210203      2.533991
  F      -5.049080     -1.118173      1.962090
  C      -3.457297     -2.076048      3.465089
  C      -2.998927     -0.760404      3.942151
  O      -3.762358      0.210311      3.935459
  C      -1.599510     -0.537356      4.458525
  C      -2.932564     -3.262146      3.995723
  C      -6.104017     12.386478      3.427213
  C      -5.039698     11.310737      3.388085
  O      -3.908432     11.553171      2.982044
  C      -5.404014      9.940431      3.874232
  C      -6.668140      9.640356      4.409820
  C      -6.947619      8.354523      4.858562
  C      -5.964829      7.373390      4.773711
  F      -6.303662      6.142842      5.232421
  C      -4.688488      7.615372      4.235654
  C      -3.572986      6.607961      4.058899
  O      -2.598592      6.920187      3.388539
  C      -3.655766      5.285374      4.822197
  C      -4.448506      8.923384      3.795031
  C      -8.049805     -5.347465      4.182058
  C      -7.181015     -4.324337      4.881437
  O      -6.286208     -4.675763      5.644757
  C      -7.464038     -2.874350      4.641796
  C      -8.482313     -2.442642      3.771918
  C      -8.693189     -1.086172      3.553148
  C      -7.873682     -0.162874      4.194201
  F      -8.122505      1.145218      3.969259
  C      -6.837285     -0.540603      5.064121
  C      -5.867936      0.388994      5.717959
  O      -5.202939     -0.009333      6.667605
  C      -5.688772      1.822792      5.182296
  C      -6.670922     -1.916223      5.276427
  H      -3.209573     -7.766301      4.929422
  H      -4.714354     -6.790133      4.776045
  H      -3.853685     -7.335492      3.314139
  H      -4.939847     -5.565822      2.486249
  H      -5.824158     -3.480304      1.424811
  H      -0.909730     -0.632413      3.591160
  H      -1.311766     -1.342116      5.158046
  H      -2.126055     -3.237353      4.729045
  H      -6.452849     12.547001      4.458735
  H      -6.976564     12.087468      2.827157
  H      -5.688627     13.319534      3.032625
  H      -7.441677     10.404649      4.481615
  H      -7.920294      8.093927      5.276853
  H      -3.864874      5.570231      5.882898
  H      -4.573211      4.779318      4.484765
  H      -3.468153      9.142112      3.368257
  H      -9.112576     -5.188317      4.417496
  H      -7.752599     -6.352577      4.499111
  H      -7.939112     -5.259976      3.090110
  H      -9.120941     -3.162326      3.260168
  H      -9.483505     -0.727273      2.893637
  H      -6.531205      2.421155      5.589008
  H      -5.799182      1.824435      4.090941
  H      -5.872664     -2.237434      5.947183
  N      -2.464401      2.228834      2.881305
87
Coordinates from ORCA-job orca E -6506.262125458457
  N      -1.515048      0.737797      5.144908
  Mo     -2.664604      2.282156      4.552695
  N      -4.422655      2.391820      5.527343
  C      -4.203291      2.830891      6.911962
  C      -2.822537      2.432534      7.466385
  N      -1.671709      2.889637      6.622208
  C      -0.448229      2.091036      6.839980
  C      -0.684907      0.677827      6.346747
  C      -1.386043      4.345976      6.720465
  C      -1.326483      4.853378      5.278134
  N      -2.545439      4.408522      4.622243
  H       0.284811      0.196562      6.122813
  H      -1.171292      0.056612      7.127319
  H       0.338471      2.555688      6.227761
  H      -0.129697      2.115689      7.897426
  H      -1.203466      5.948027      5.223097
  H      -0.444580      4.413124      4.777586
  H      -2.209204      4.832913      7.262542
  H      -0.455254      4.514223      7.289295
  H      -4.944086      2.375662      7.587067
  H      -4.338866      3.925877      6.997061
  H      -2.782511      1.337610      7.518897
  H      -2.718140      2.832281      8.491479
  C      -3.687834     -7.031524      4.325088
  C      -2.902855     -5.744338      4.407881
  O      -1.874884     -5.655641      5.071135
  C      -3.452349     -4.544493      3.695747
  C      -4.492715     -4.624644      2.758270
  C      -5.002522     -3.469801      2.170812
  C      -4.501476     -2.234215      2.557145
  F      -5.038399     -1.139655      1.989121
  C      -3.457929     -2.103365      3.499188
  C      -3.002947     -0.787972      3.982644
  O      -3.769970      0.181294      3.973208
  C      -1.601377     -0.559566      4.493252
  C      -2.933130     -3.289889      4.028612
  C      -6.108649     12.381928      3.420531
  C      -5.054714     11.297460      3.352151
  O      -3.941131     11.524808      2.891532
  C      -5.407525      9.936464      3.871458
  C      -6.650472      9.653077      4.463199
  C      -6.921515      8.375421      4.939700
  C      -5.950191      7.385522      4.826414
  F      -6.278633      6.162844      5.313626
  C      -4.695926      7.611077      4.233771
  C      -3.593198      6.592524      4.027516
  O      -2.635926      6.895312      3.329426
  C      -3.657248      5.281325      4.811768
  C      -4.463302      8.910933      3.766043
  C      -8.018335     -5.323412      4.112409
  C      -7.183581     -4.300709      4.852066
  O      -6.281244     -4.652332      5.606799
  C      -7.476183     -2.850547      4.625445
  C      -8.493322     -2.416626      3.755788
  C      -8.714657     -1.059172      3.552334
  C      -7.904655     -0.137520      4.207912
  F      -8.160367      1.172060      3.997477
  C      -6.869883     -0.517636      5.077188
  C      -5.907202      0.413300      5.745068
  O      -5.262958      0.017049      6.709198
  C      -5.707854      1.837371      5.195682
  C      -6.692737     -1.893474      5.274904
  H      -3.177135     -7.809826      4.901509
  H      -4.694301     -6.856296      4.738520
  H      -3.802149     -7.363269      3.282406
  H      -4.914430     -5.590890      2.481569
  H      -5.800725     -3.503834      1.428871
  H      -0.915864     -0.653687      3.622836
  H      -1.309406     -1.359599      5.196326
  H      -2.133442     -3.264367      4.769494
  H      -6.411442     12.561300      4.463491
  H      -7.009144     12.081293      2.863877
  H      -5.703992     13.305505      2.993596
  H      -7.414651     10.424544      4.557579
  H      -7.877994      8.128233      5.401408
  H      -3.837013      5.583872      5.873113
  H      -4.583228      4.771986      4.503068
  H      -3.499660      9.117028      3.296967
  H      -9.087778     -5.193137      4.334957
  H      -7.703730     -6.329467      4.409404
  H      -7.893439     -5.206634      3.024534
  H      -9.122237     -3.135628      3.230780
  H      -9.504729     -0.698595      2.893303
  H      -6.543126      2.448970      5.597869
  H      -5.819267      1.830295      4.104031
  H      -5.895602     -2.217045      5.945907
  N      -2.460955      2.177941      2.893436
87
Coordinates from ORCA-job orca E -6506.262406424416
  N      -1.512906      0.716945      5.176458
  Mo     -2.666600      2.264980      4.574251
  N      -4.423751      2.395420      5.554082
  C      -4.191613      2.852368      6.933886
  C      -2.808169      2.453846      7.482946
  N      -1.658580      2.889883      6.619645
  C      -0.437635      2.087382      6.846512
  C      -0.686926      0.666445      6.382166
  C      -1.362298      4.347703      6.695545
  C      -1.314816      4.837841      5.245358
  N      -2.545730      4.396560      4.604363
  H       0.277349      0.171344      6.167528
  H      -1.182115      0.066913      7.173906
  H       0.346086      2.532796      6.216388
  H      -0.112508      2.135598      7.900880
  H      -1.179907      5.930501      5.174636
  H      -0.443179      4.379407      4.742941
  H      -2.174989      4.845933      7.243052
  H      -0.422458      4.515393      7.249495
  H      -4.930866      2.410714      7.618824
  H      -4.320193      3.949235      7.001755
  H      -2.775472      1.359022      7.546363
  H      -2.687050      2.864578      8.501419
  C      -3.637493     -7.074940      4.279290
  C      -2.875466     -5.776588      4.395719
  O      -1.862171     -5.682575      5.080840
  C      -3.438244     -4.570762      3.704875
  C      -4.475685     -4.646748      2.763550
  C      -4.995978     -3.489635      2.190350
  C      -4.506147     -2.254378      2.593179
  F      -5.051089     -1.157205      2.039173
  C      -3.464636     -2.128380      3.537901
  C      -3.011063     -0.814656      4.030143
  O      -3.781768      0.150171      4.027595
  C      -1.604817     -0.582572      4.529132
  C      -2.931365     -3.315919      4.055732
  C      -6.141549     12.356098      3.381653
  C      -5.089850     11.270416      3.298199
  O      -3.992837     11.489529      2.795217
  C      -5.424138      9.918291      3.851889
  C      -6.649180      9.644229      4.484269
  C      -6.906016      8.374936      4.990111
  C      -5.936914      7.383868      4.865385
  F      -6.251103      6.168286      5.379470
  C      -4.699838      7.600819      4.235564
  C      -3.596983      6.580562      4.021748
  O      -2.660494      6.870979      3.291759
  C      -3.647504      5.276674      4.819128
  C      -4.481403      8.891836      3.737436
  C      -8.007541     -5.273560      4.026119
  C      -7.186850     -4.260471      4.794098
  O      -6.282893     -4.621354      5.542958
  C      -7.491959     -2.807838      4.599732
  C      -8.513757     -2.363143      3.741321
  C      -8.745581     -1.003143      3.565712
  C      -7.939726     -0.089870      4.237947
  F      -8.203340      1.222978      4.055718
  C      -6.902862     -0.480735      5.098931
  C      -5.943420      0.444792      5.785460
  O      -5.326694      0.045854      6.765725
  C      -5.719939      1.861681      5.229696
  C      -6.715250     -1.858413      5.270117
  H      -3.117748     -7.854959      4.845656
  H      -4.651469     -6.928869      4.686794
  H      -3.736862     -7.388027      3.229029
  H      -4.887716     -5.613258      2.471898
  H      -5.793565     -3.522402      1.447293
  H      -0.930370     -0.672473      3.650020
  H      -1.305032     -1.382048      5.229332
  H      -2.132852     -3.290333      4.798407
  H      -6.409270     12.555889      4.430830
  H      -7.061190     12.045593      2.862341
  H      -5.752029     13.271321      2.923294
  H      -7.411368     10.417103      4.587334
  H      -7.849132      8.135255      5.482898
  H      -3.798605      5.593259      5.880715
  H      -4.582867      4.767750      4.536813
  H      -3.531104      9.091255      3.238702
  H      -9.079467     -5.162606      4.249036
  H      -7.680707     -6.282940      4.298619
  H      -7.882337     -5.127902      2.941572
  H      -9.136228     -3.076247      3.199985
  H      -9.539297     -0.634730      2.914956
  H      -6.544619      2.488150      5.631750
  H      -5.835673      1.851843      4.138579
  H      -5.915743     -2.191195      5.934113
  N      -2.456869      2.128423      2.920566
87
Coordinates from ORCA-job orca E -6506.258186778718
  N      -1.571526      0.710260      5.143412
  Mo     -2.719235      2.287056      4.508475
  N      -4.495676      2.419711      5.516332
  C      -4.295621      2.882449      6.931577
  C      -2.905279      2.479834      7.504577
  N      -1.727518      2.916335      6.643544
  C      -0.512126      2.093134      6.880889
  C      -0.765113      0.664021      6.386044
  C      -1.424658      4.384126      6.724013
  C      -1.336439      4.887077      5.264042
  N      -2.559510      4.447228      4.576228
  H       0.203500      0.167523      6.189919
  H      -1.278551      0.063555      7.165761
  H       0.287907      2.536232      6.270074
  H      -0.205460      2.127778      7.941428
  H      -1.196880      5.978645      5.206943
  H      -0.452173      4.431842      4.780960
  H      -2.247759      4.881544      7.255954
  H      -0.496842      4.549419      7.297109
  H      -5.044206      2.434372      7.604639
  H      -4.431195      3.978928      6.999586
  H      -2.875182      1.384416      7.564341
  H      -2.799034      2.886050      8.525990
  C      -3.717370     -7.122051      4.176185
  C      -2.937835     -5.838124      4.316790
  O      -1.935525     -5.762356      5.020308
  C      -3.473188     -4.627484      3.618118
  C      -4.491877     -4.698016      2.657514
  C      -4.997609     -3.538993      2.078784
  C      -4.512505     -2.306985      2.494919
  F      -5.049562     -1.206350      1.936695
  C      -3.487331     -2.186741      3.457686
  C      -3.052930     -0.866815      3.954727
  O      -3.846737      0.094915      3.932109
  C      -1.649113     -0.611938      4.490847
  C      -2.966543     -3.376797      3.981610
  C      -6.025468     12.481188      3.432481
  C      -4.988964     11.382260      3.347783
  O      -3.880465     11.595050      2.868639
  C      -5.351152     10.026331      3.870401
  C      -6.590445      9.757066      4.476394
  C      -6.871811      8.482260      4.954031
  C      -5.913405      7.481679      4.827400
  F      -6.248860      6.259741      5.313438
  C      -4.664225      7.694292      4.223340
  C      -3.573995      6.663905      4.010600
  O      -2.619055      6.951926      3.302869
  C      -3.659518      5.348563      4.783006
  C      -4.420263      8.990698      3.753287
  C      -7.808794     -5.394926      4.242639
  C      -7.027426     -4.321240      4.966277
  O      -6.114601     -4.618361      5.731551
  C      -7.386242     -2.891193      4.710056
  C      -8.421339     -2.521656      3.832531
  C      -8.703976     -1.180234      3.601200
  C      -7.936928     -0.209870      4.237440
  F      -8.245616      1.083265      3.999074
  C      -6.891106     -0.524294      5.113746
  C      -5.969119      0.460582      5.769371
  O      -5.335588      0.110145      6.755655
  C      -5.790978      1.874722      5.187433
  C      -6.649465     -1.884860      5.340175
  H      -3.223350     -7.914071      4.747568
  H      -4.735577     -6.956864      4.563312
  H      -3.802685     -7.428304      3.123710
  H      -4.901608     -5.661118      2.357644
  H      -5.781430     -3.566951      1.322794
  H      -0.953182     -0.701833      3.627697
  H      -1.363180     -1.409509      5.198722
  H      -2.184054     -3.355878      4.738901
  H      -6.309003     12.666263      4.478902
  H      -6.939608     12.195015      2.892155
  H      -5.613983     13.397591      2.998169
  H      -7.342855     10.537606      4.580207
  H      -7.824845      8.245375      5.425748
  H      -3.828136      5.652269      5.847546
  H      -4.597903      4.862349      4.476420
  H      -3.459869      9.186202      3.275167
  H      -8.883699     -5.313995      4.458601
  H      -7.446624     -6.378199      4.558653
  H      -7.686274     -5.291796      3.154062
  H      -9.014031     -3.278741      3.321266
  H      -9.507701     -0.869902      2.934757
  H      -6.629079      2.487612      5.579771
  H      -5.907552      1.850588      4.095291
  H      -5.840841     -2.157838      6.018404
  N      -2.497417      2.151062      2.851360
87
Coordinates from ORCA-job orca E -6506.262019896059
  N      -1.597792      0.733447      5.109319
  Mo     -2.763959      2.287527      4.517006
  N      -4.514221      2.412238      5.544452
  C      -4.294429      2.874412      6.949265
  C      -2.905410      2.469636      7.504434
  N      -1.742574      2.905600      6.635362
  C      -0.529309      2.082390      6.851063
  C      -0.790098      0.665987      6.347905
  C      -1.436271      4.365433      6.714776
  C      -1.352741      4.864628      5.259177
  N      -2.580564      4.436277      4.574350
  H       0.170577      0.162493      6.139150
  H      -1.309185      0.059891      7.117697
  H       0.261321      2.528235      6.229806
  H      -0.206228      2.107532      7.906723
  H      -1.207473      5.955544      5.198524
  H      -0.474727      4.401600      4.774302
  H      -2.254749      4.865959      7.250656
  H      -0.503459      4.528434      7.281570
  H      -5.040735      2.435652      7.628157
  H      -4.424653      3.970850      7.010846
  H      -2.876895      1.374085      7.557081
  H      -2.784189      2.869722      8.526713
  C      -3.588205     -7.144051      4.218076
  C      -2.841030     -5.838584      4.344552
  O      -1.835246     -5.732730      5.038001
  C      -3.415692     -4.642982      3.648797
  C      -4.444326     -4.738785      2.700982
  C      -4.986244     -3.592900      2.127328
  C      -4.526290     -2.349288      2.536784
  F      -5.092887     -1.260201      1.985519
  C      -3.492409     -2.204379      3.485793
  C      -3.080031     -0.877652      3.980486
  O      -3.893976      0.054707      4.000102
  C      -1.667301     -0.585766      4.457483
  C      -2.934822     -3.379273      4.003747
  C      -6.001337     12.485219      3.391375
  C      -4.973948     11.377383      3.301799
  O      -3.877523     11.570270      2.788831
  C      -5.333946     10.034646      3.861189
  C      -6.559986      9.788324      4.502139
  C      -6.840778      8.525832      5.011461
  C      -5.895139      7.513606      4.881821
  F      -6.233170      6.306023      5.399613
  C      -4.657721      7.703378      4.244027
  C      -3.578236      6.660959      4.025958
  O      -2.633264      6.935241      3.301110
  C      -3.666741      5.346735      4.805489
  C      -4.415126      8.988391      3.742946
  C      -7.843926     -5.364854      4.136348
  C      -7.063082     -4.310143      4.889143
  O      -6.147196     -4.625626      5.642649
  C      -7.422007     -2.873191      4.670314
  C      -8.458145     -2.481482      3.804061
  C      -8.740454     -1.134496      3.605246
  C      -7.971068     -0.180866      4.263474
  F      -8.277352      1.118262      4.058248
  C      -6.924075     -0.518303      5.132350
  C      -6.004742      0.452151      5.803951
  O      -5.386442      0.094142      6.798660
  C      -5.813591      1.867737      5.228830
  C      -6.683807     -1.884392      5.325156
  H      -3.066086     -7.921037      4.785595
  H      -4.604096     -7.002758      4.621278
  H      -3.679319     -7.455646      3.167507
  H      -4.834246     -5.712271      2.405994
  H      -5.778672     -3.640764      1.380657
  H      -1.007512     -0.644885      3.566095
  H      -1.324284     -1.372296      5.150732
  H      -2.143383     -3.338499      4.752181
  H      -6.255365     12.692739      4.441667
  H      -6.930529     12.191963      2.880729
  H      -5.597200     13.390567      2.927360
  H      -7.304307     10.576669      4.609150
  H      -7.784899      8.307948      5.510602
  H      -3.808612      5.641265      5.872463
  H      -4.614105      4.872028      4.507112
  H      -3.464163      9.166100      3.238611
  H      -8.918850     -5.292178      4.357138
  H      -7.479290     -6.356358      4.423953
  H      -7.722451     -5.230139      3.050922
  H      -9.051488     -3.225395      3.273385
  H      -9.544980     -0.807405      2.947105
  H      -6.641237      2.484617      5.638053
  H      -5.935982      1.855848      4.138138
  H      -5.874793     -2.175337      5.996074
  N      -2.605120      2.122361      2.861096
87
Coordinates from ORCA-job orca E -6506.265035259044
  N      -1.626399      0.763419      5.070915
  Mo     -2.788708      2.308811      4.505026
  N      -4.527722      2.408174      5.532944
  C      -4.305887      2.855124      6.928364
  C      -2.927827      2.452389      7.487211
  N      -1.770433      2.895171      6.635032
  C      -0.562108      2.072422      6.834099
  C      -0.815849      0.675273      6.299339
  C      -1.463269      4.346296      6.730282
  C      -1.369572      4.856677      5.286182
  N      -2.586602      4.440701      4.584591
  H       0.145220      0.181077      6.073946
  H      -1.330154      0.046586      7.053511
  H       0.228983      2.536011      6.226170
  H      -0.239036      2.069201      7.890305
  H      -1.226591      5.949247      5.238122
  H      -0.486956      4.401717      4.803041
  H      -2.284553      4.845813      7.263562
  H      -0.535200      4.503190      7.307359
  H      -5.055586      2.412885      7.600492
  H      -4.436812      3.950883      6.996230
  H      -2.897301      1.356631      7.534449
  H      -2.815131      2.847522      8.512939
  C      -3.528570     -7.119823      4.277045
  C      -2.786506     -5.806639      4.351225
  O      -1.766834     -5.677051      5.019962
  C      -3.397175     -4.625509      3.659473
  C      -4.446701     -4.743164      2.737152
  C      -5.019076     -3.608374      2.169036
  C      -4.569370     -2.355443      2.561389
  F      -5.170313     -1.278728      2.023407
  C      -3.515254     -2.188562      3.484509
  C      -3.113152     -0.854501      3.969741
  O      -3.931043      0.062894      4.001642
  C      -1.700002     -0.550105      4.422778
  C      -2.927640     -3.351726      3.995442
  C      -5.954783     12.508910      3.413918
  C      -4.940003     11.390812      3.304721
  O      -3.848048     11.574456      2.778707
  C      -5.305907     10.050136      3.867154
  C      -6.525957      9.814715      4.523765
  C      -6.812431      8.553736      5.034158
  C      -5.878683      7.532286      4.890349
  F      -6.220703      6.327024      5.410080
  C      -4.647509      7.710789      4.236777
  C      -3.581213      6.657960      4.011438
  O      -2.644300      6.916319      3.270563
  C      -3.672547      5.350047      4.803207
  C      -4.398923      8.994771      3.735148
  C      -7.846229     -5.388866      4.136419
  C      -7.059285     -4.333723      4.883428
  O      -6.146892     -4.649381      5.641305
  C      -7.415485     -2.896314      4.660718
  C      -8.443907     -2.505507      3.784155
  C      -8.720721     -1.158631      3.576885
  C      -7.954518     -0.204015      4.237231
  F      -8.254282      1.094921      4.019595
  C      -6.916100     -0.540387      5.119429
  C      -6.002874      0.431711      5.792906
  O      -5.386938      0.080371      6.792502
  C      -5.818572      1.848982      5.216776
  C      -6.681557     -1.907063      5.319843
  H      -2.986593     -7.880404      4.848543
  H      -4.534132     -6.973984      4.704866
  H      -3.645496     -7.456803      3.236600
  H      -4.829178     -5.724744      2.457592
  H      -5.828921     -3.672358      1.441868
  H      -1.055450     -0.603436      3.520744
  H      -1.336726     -1.331653      5.110572
  H      -2.119098     -3.295461      4.725244
  H      -6.191237     12.713649      4.469233
  H      -6.894054     12.226206      2.915051
  H      -5.548668     13.412708      2.947981
  H      -7.261204     10.610418      4.642949
  H      -7.752530      8.344440      5.545498
  H      -3.818928      5.643494      5.867572
  H      -4.618271      4.873444      4.496987
  H      -3.452140      9.163864      3.219201
  H      -8.920574     -5.310405      4.359805
  H      -7.485232     -6.381087      4.427238
  H      -7.726250     -5.258762      3.049863
  H      -9.034413     -3.250095      3.250350
  H      -9.518192     -0.832301      2.909063
  H      -6.649797      2.459853      5.627700
  H      -5.937781      1.836959      4.126598
  H      -5.878443     -2.197011      5.998992
  N      -2.679183      2.138688      2.847572
87
Coordinates from ORCA-job orca E -6506.267337059525
  N      -1.642296      0.799566      5.047048
  Mo     -2.796501      2.339564      4.493996
  N      -4.528490      2.396398      5.505415
  C      -4.319056      2.826898      6.892159
  C      -2.956267      2.431289      7.470731
  N      -1.801634      2.886974      6.648615
  C      -0.592784      2.074117      6.832815
  C      -0.823938      0.697450      6.259442
  C      -1.502616      4.331671      6.764330
  C      -1.393725      4.855738      5.333783
  N      -2.591552      4.447728      4.608539
  H       0.144114      0.227707      6.012879
  H      -1.321221      0.035101      6.996217
  H       0.198026      2.565254      6.245900
  H      -0.273629      2.039763      7.890234
  H      -1.257858      5.950933      5.300443
  H      -0.500647      4.414488      4.857584
  H      -2.329578      4.826260      7.294589
  H      -0.581326      4.485654      7.353900
  H      -5.076901      2.376474      7.548723
  H      -4.455780      3.921575      6.967248
  H      -2.918933      1.335201      7.514305
  H      -2.865838      2.822959      8.500665
  C      -3.432081     -7.089049      4.307962
  C      -2.705531     -5.765485      4.358340
  O      -1.663317     -5.623285      4.989455
  C      -3.334016     -4.600890      3.653824
  C      -4.385497     -4.743075      2.737045
  C      -4.980431     -3.621489      2.164289
  C      -4.553820     -2.358185      2.550254
  F      -5.179899     -1.297546      2.011305
  C      -3.496496     -2.166558      3.465571
  C      -3.117842     -0.823037      3.950778
  O      -3.945235      0.076067      3.987603
  C      -1.709810     -0.503883      4.396704
  C      -2.883197     -3.316432      3.976941
  C      -5.881252     12.538532      3.457558
  C      -4.880536     11.408615      3.339138
  O      -3.784044     11.584194      2.818783
  C      -5.270006     10.063263      3.875328
  C      -6.499658      9.833540      4.516386
  C      -6.809606      8.567406      5.000242
  C      -5.888247      7.535706      4.847326
  F      -6.253060      6.324060      5.334914
  C      -4.647602      7.708668      4.210303
  C      -3.591504      6.645497      3.988461
  O      -2.662550      6.883822      3.231405
  C      -3.685045      5.347902      4.798781
  C      -4.376190      8.997356      3.732531
  C      -7.958073     -5.414463      4.201244
  C      -7.115953     -4.365080      4.895321
  O      -6.166965     -4.688808      5.604087
  C      -7.459758     -2.924032      4.674358
  C      -8.509645     -2.526019      3.826064
  C      -8.772311     -1.177105      3.613194
  C      -7.973320     -0.227433      4.240969
  F      -8.263649      1.073437      4.017731
  C      -6.915678     -0.570468      5.099601
  C      -5.980218      0.395569      5.753925
  O      -5.348285      0.041484      6.742853
  C      -5.805010      1.815851      5.178235
  C      -6.693548     -1.939348      5.304353
  H      -2.871314     -7.837993      4.877092
  H      -4.432407     -6.951679      4.751833
  H      -3.562609     -7.436948      3.272205
  H      -4.752276     -5.733554      2.465525
  H      -5.792626     -3.704539      1.441087
  H      -1.070241     -0.548177      3.490961
  H      -1.333725     -1.283504      5.079290
  H      -2.071953     -3.241645      4.702612
  H      -6.121478     12.731130      4.514660
  H      -6.821652     12.275569      2.949033
  H      -5.460284     13.443587      3.006853
  H      -7.224698     10.638005      4.643449
  H      -7.759015      8.362029      5.496772
  H      -3.849308      5.646971      5.857085
  H      -4.621597      4.859508      4.477292
  H      -3.421948      9.162133      3.228153
  H      -9.016679     -5.319745      4.486607
  H      -7.593569     -6.409800      4.477837
  H      -7.900385     -5.293370      3.108139
  H      -9.127138     -3.266921      3.317346
  H      -9.584866     -0.845409      2.965735
  H      -6.645201      2.416704      5.585677
  H      -5.916357      1.801208      4.088473
  H      -5.876648     -2.234849      5.965156
  N      -2.734699      2.170998      2.834176
87
Coordinates from ORCA-job orca E -6506.268448594432
  N      -1.693189      0.817937      5.022933
  Mo     -2.847339      2.355709      4.489120
  N      -4.566572      2.399647      5.503513
  C      -4.355342      2.824942      6.884930
  C      -2.998158      2.424596      7.465215
  N      -1.849054      2.882948      6.649977
  C      -0.639124      2.072833      6.817239
  C      -0.864775      0.706398      6.224127
  C      -1.549564      4.324454      6.771965
  C      -1.432606      4.849196      5.345493
  N      -2.624788      4.448538      4.612613
  H       0.104498      0.247583      5.962021
  H      -1.351056      0.027710      6.953469
  H       0.148173      2.576585      6.236026
  H      -0.313908      2.021291      7.872428
  H      -1.294437      5.944664      5.314105
  H      -0.537573      4.407793      4.873386
  H      -2.376681      4.821360      7.300128
  H      -0.630139      4.476474      7.365471
  H      -5.116659      2.377203      7.539189
  H      -4.487815      3.920144      6.961802
  H      -2.962439      1.328116      7.505979
  H      -2.911752      2.812435      8.497413
  C      -3.385624     -7.079666      4.298482
  C      -2.673316     -5.747290      4.325713
  O      -1.626415     -5.587181      4.944949
  C      -3.333833     -4.591521      3.636173
  C      -4.400831     -4.748139      2.739976
  C      -5.024992     -3.634077      2.183166
  C      -4.611487     -2.365201      2.565468
  F      -5.266578     -1.313974      2.043319
  C      -3.538755     -2.158692      3.459541
  C      -3.172763     -0.809695      3.943769
  O      -4.010898      0.075825      4.001113
  C      -1.760805     -0.477440      4.364120
  C      -2.897599     -3.300485      3.954801
  C      -5.766170     12.591019      3.503803
  C      -4.794245     11.438499      3.365769
  O      -3.690496     11.596934      2.855049
  C      -5.216532     10.094915      3.881501
  C      -6.453882      9.884359      4.514305
  C      -6.795504      8.618560      4.977410
  C      -5.897125      7.568392      4.813574
  F      -6.292718      6.357549      5.278094
  C      -4.649284      7.722248      4.185407
  C      -3.615130      6.639501      3.959170
  O      -2.684035      6.860658      3.199718
  C      -3.717711      5.350996      4.784439
  C      -4.346435      9.011025      3.727053
  C      -7.872411     -5.464208      4.251122
  C      -7.055080     -4.395016      4.944908
  O      -6.118208     -4.697320      5.678854
  C      -7.414228     -2.961661      4.701069
  C      -8.451480     -2.586994      3.826539
  C      -8.727523     -1.243961      3.593669
  C      -7.954403     -0.277036      4.227394
  F      -8.252332      1.017934      3.978839
  C      -6.910656     -0.596740      5.111598
  C      -6.000453      0.388632      5.771070
  O      -5.375995      0.053258      6.771160
  C      -5.836546      1.804619      5.180574
  C      -6.674434     -1.960070      5.335920
  H      -2.808462     -7.816972      4.866434
  H      -4.381184     -6.950167      4.755012
  H      -3.526718     -7.438624      3.267983
  H      -4.757149     -5.743517      2.472490
  H      -5.850001     -3.728078      1.475958
  H      -1.138252     -0.508337      3.446346
  H      -1.363672     -1.258085      5.032942
  H      -2.073023     -3.215089      4.664159
  H      -6.003819     12.769175      4.564080
  H      -6.711760     12.361861      2.988544
  H      -5.321327     13.493530      3.071294
  H      -7.160422     10.703646      4.650591
  H      -7.752290      8.427705      5.465581
  H      -3.887994      5.657191      5.838636
  H      -4.651921      4.861017      4.457563
  H      -3.386368      9.161130      3.229062
  H      -8.936724     -5.377904      4.517504
  H      -7.501016     -6.451079      4.548215
  H      -7.797497     -5.358294      3.157409
  H      -9.048927     -3.341524      3.313973
  H      -9.530175     -0.930177      2.925210
  H      -6.680623      2.402711      5.583665
  H      -5.946034      1.777722      4.091219
  H      -5.867436     -2.237415      6.016484
  N      -2.829987      2.180234      2.828278
87
Coordinates from ORCA-job orca E -6506.269927036214
  N      -1.745827      0.844944      5.002211
  Mo     -2.907590      2.377160      4.494881
  N      -4.606946      2.391793      5.517756
  C      -4.391847      2.806927      6.896409
  C      -3.036431      2.405166      7.473506
  N      -1.899122      2.879028      6.664019
  C      -0.680905      2.081587      6.802067
  C      -0.893714      0.726789      6.183206
  C      -1.608809      4.319253      6.795187
  C      -1.486810      4.846891      5.373552
  N      -2.671455      4.448463      4.632093
  H       0.078561      0.290728      5.893824
  H      -1.354168      0.022450      6.905057
  H       0.094853      2.607555      6.224776
  H      -0.341622      2.010388      7.852080
  H      -1.351306      5.943116      5.344499
  H      -0.587529      4.410364      4.905764
  H      -2.437448      4.812532      7.324189
  H      -0.690456      4.474186      7.390203
  H      -5.154546      2.358433      7.548405
  H      -4.522936      3.902010      6.979789
  H      -2.995417      1.308326      7.504477
  H      -2.954100      2.782818      8.510343
  C      -3.280356     -7.076728      4.268722
  C      -2.596849     -5.729042      4.287147
  O      -1.538143     -5.550380      4.880604
  C      -3.294427     -4.585933      3.614036
  C      -4.375708     -4.762419      2.739031
  C      -5.036115     -3.659970      2.201258
  C      -4.644345     -2.383997      2.583108
  F      -5.335441     -1.345125      2.082749
  C      -3.559140     -2.157485      3.456222
  C      -3.218999     -0.801114      3.944721
  O      -4.077474      0.058690      4.034472
  C      -1.805289     -0.440727      4.330108
  C      -2.881087     -3.286576      3.930440
  C      -5.622098     12.643402      3.540704
  C      -4.682267     11.465950      3.393071
  O      -3.566782     11.601895      2.901839
  C      -5.150531     10.125615      3.876117
  C      -6.403559      9.938379      4.484840
  C      -6.789619      8.674199      4.916532
  C      -5.918520      7.602414      4.746678
  F      -6.354987      6.393086      5.177066
  C      -4.656559      7.733209      4.142657
  C      -3.648644      6.625981      3.921745
  O      -2.720918      6.815361      3.150187
  C      -3.764947      5.354737      4.774651
  C      -4.308852      9.020616      3.714135
  C      -7.839960     -5.500873      4.281108
  C      -7.024820     -4.421988      4.962139
  O      -6.080989     -4.713366      5.691355
  C      -7.405347     -2.993253      4.726164
  C      -8.450704     -2.628807      3.857110
  C      -8.742426     -1.288500      3.627669
  C      -7.976564     -0.314383      4.259002
  F      -8.285032      0.978109      4.009143
  C      -6.926958     -0.624283      5.139276
  C      -6.023139      0.369152      5.794763
  O      -5.402247      0.044166      6.800343
  C      -5.870942      1.783837      5.197943
  C      -6.675301     -1.984818      5.361104
  H      -2.678236     -7.802013      4.825904
  H      -4.270897     -6.970777      4.741188
  H      -3.430059     -7.436893      3.240106
  H      -4.715097     -5.764021      2.473509
  H      -5.872885     -3.769508      1.510600
  H      -1.207213     -0.448623      3.396030
  H      -1.373964     -1.220057      4.978673
  H      -2.044927     -3.185786      4.623696
  H      -5.870139     12.806670      4.600841
  H      -6.566054     12.452883      3.007430
  H      -5.144834     13.540880      3.133373
  H      -7.087790     10.775097      4.626960
  H      -7.759978      8.501585      5.383766
  H      -3.943689      5.676237      5.821227
  H      -4.695039      4.860883      4.441917
  H      -3.337304      9.152713      3.234003
  H      -8.901035     -5.424696      4.562576
  H      -7.454127     -6.482923      4.575341
  H      -7.781472     -5.397303      3.186393
  H      -9.042203     -3.388985      3.346419
  H      -9.550605     -0.982536      2.962582
  H      -6.717261      2.377198      5.603361
  H      -5.981317      1.750845      4.109438
  H      -5.862664     -2.254706      6.037600
  N      -2.959547      2.191671      2.834588
87
Coordinates from ORCA-job orca E -6506.271300815880
  N      -1.799724      0.869665      4.985402
  Mo     -2.973559      2.395615      4.503325
  N      -4.652277      2.381346      5.539822
  C      -4.431033      2.789293      6.917120
  C      -3.073618      2.387576      7.486912
  N      -1.949527      2.878171      6.677865
  C      -0.721177      2.096015      6.786034
  C      -0.920712      0.750272      6.145168
  C      -1.671639      4.318703      6.816144
  C      -1.549324      4.849404      5.397744
  N      -2.727785      4.448012      4.650291
  H       0.053939      0.339034      5.828037
  H      -1.351600      0.022301      6.861834
  H       0.040149      2.643572      6.209446
  H      -0.365388      2.010010      7.829793
  H      -1.419831      5.946568      5.370054
  H      -0.645613      4.419969      4.932794
  H      -2.502135      4.805595      7.347741
  H      -0.753247      4.479139      7.410184
  H      -5.192864      2.340125      7.569452
  H      -4.561531      3.884334      7.005322
  H      -3.025643      1.290609      7.507221
  H      -2.991182      2.754761      8.527856
  C      -3.165971     -7.077250      4.224960
  C      -2.512497     -5.714678      4.237506
  O      -1.448213     -5.515173      4.813865
  C      -3.248536     -4.584158      3.585469
  C      -4.341426     -4.780025      2.729347
  C      -5.038523     -3.689994      2.213425
  C      -4.671763     -2.407987      2.600104
  F      -5.398678     -1.381808      2.124128
  C      -3.576591     -2.162168      3.454384
  C      -3.263776     -0.799799      3.949791
  O      -4.142268      0.032686      4.072059
  C      -1.850499     -0.408815      4.302139
  C      -2.861199     -3.277413      3.904899
  C      -5.465918     12.692084      3.571640
  C      -4.563553     11.487244      3.413483
  O      -3.436402     11.595687      2.942745
  C      -5.080675     10.154940      3.867353
  C      -6.347736      9.997312      4.454907
  C      -6.780995      8.739151      4.858665
  C      -5.941473      7.643574      4.683265
  F      -6.420321      6.440313      5.084586
  C      -4.667732      7.744993      4.099587
  C      -3.691827      6.609798      3.881337
  O      -2.768685      6.764897      3.097355
  C      -3.821217      5.358828      4.764809
  C      -4.272005      9.026746      3.697859
  C      -7.809267     -5.535975      4.310214
  C      -6.998178     -4.447514      4.980403
  O      -6.046506     -4.727847      5.703447
  C      -7.399676     -3.023611      4.752078
  C      -8.452670     -2.669498      3.888371
  C      -8.761697     -1.332203      3.664191
  C      -8.004981     -0.350981      4.295391
  F      -8.326390      0.938906      4.047543
  C      -6.949857     -0.651037      5.171786
  C      -6.055581      0.350812      5.827499
  O      -5.435959      0.032882      6.835934
  C      -5.912642      1.763903      5.225463
  C      -6.680570     -2.008492      5.388552
  H      -2.540714     -7.789443      4.773237
  H      -4.152587     -6.995778      4.709624
  H      -3.320061     -7.438799      3.197757
  H      -4.661360     -5.787164      2.461514
  H      -5.884761     -3.814899      1.537386
  H      -1.276860     -0.395419      3.353188
  H      -1.385902     -1.184538      4.931673
  H      -2.015094     -3.161143      4.583182
  H      -5.723774     12.842605      4.631143
  H      -6.407621     12.543780      3.021725
  H      -4.953483     13.580827      3.189032
  H      -7.006335     10.853064      4.602657
  H      -7.763492      8.590017      5.307671
  H      -4.005269      5.698260      5.803317
  H      -4.748190      4.860779      4.430198
  H      -3.290557      9.135957      3.232808
  H      -8.866962     -5.471722      4.606392
  H      -7.407948     -6.512953      4.600123
  H      -7.767023     -5.433248      3.214977
  H      -9.036966     -3.435294      3.378223
  H      -9.575555     -1.034180      3.002811
  H      -6.759473      2.353887      5.634727
  H      -6.025833      1.726059      4.137807
  H      -5.863229     -2.271006      6.061886
  N      -3.093168      2.199705      2.846616
87
Coordinates from ORCA-job orca E -6506.272563119817
  N      -1.850945      0.894373      4.971591
  Mo     -3.038161      2.415685      4.517447
  N      -4.695508      2.368517      5.571770
  C      -4.466312      2.765950      6.949508
  C      -3.104218      2.365470      7.507544
  N      -1.994969      2.876839      6.697171
  C      -0.755752      2.111571      6.772234
  C      -0.941864      0.775463      6.107476
  C      -1.731771      4.318073      6.845689
  C      -1.612853      4.856836      5.431329
  N      -2.785400      4.450513      4.678483
  H       0.034231      0.392395      5.760182
  H      -1.338908      0.022949      6.818364
  H      -0.010759      2.682345      6.196745
  H      -0.381854      2.010162      7.808557
  H      -1.492997      5.955269      5.408388
  H      -0.704153      4.438900      4.966489
  H      -2.564410      4.794932      7.382486
  H      -0.812883      4.484017      7.437936
  H      -5.224766      2.312417      7.602616
  H      -4.598144      3.860446      7.045907
  H      -3.047099      1.268661      7.513586
  H      -3.019366      2.719303      8.553214
  C      -3.056053     -7.074121      4.169297
  C      -2.434371     -5.696780      4.181261
  O      -1.361524     -5.478623      4.734280
  C      -3.209009     -4.578338      3.554546
  C      -4.315418     -4.791970      2.720394
  C      -5.048145     -3.714183      2.229286
  C      -4.703097     -2.427461      2.620492
  F      -5.465250     -1.413782      2.172580
  C      -3.596018     -2.164023      3.453013
  C      -3.307268     -0.797046      3.955109
  O      -4.202707      0.009629      4.107628
  C      -1.895728     -0.378213      4.278376
  C      -2.844870     -3.265608      3.877069
  C      -5.315736     12.730947      3.579712
  C      -4.448942     11.500663      3.420370
  O      -3.312462     11.579080      2.966715
  C      -5.013019     10.180121      3.851263
  C      -6.292800     10.054433      4.418459
  C      -6.771356      8.805773      4.800203
  C      -5.962879      7.687442      4.624303
  F      -6.481764      6.493316      5.002514
  C      -4.678756      7.757277      4.060204
  C      -3.735413      6.594586      3.848814
  O      -2.819837      6.711670      3.050083
  C      -3.878438      5.366034      4.763892
  C      -4.236850      9.029774      3.679135
  C      -7.780245     -5.569813      4.330326
  C      -6.972500     -4.474196      4.992438
  O      -6.012572     -4.745969      5.707527
  C      -7.393147     -3.054467      4.774846
  C      -8.452732     -2.707738      3.916640
  C      -8.777372     -1.372883      3.700518
  C      -8.029311     -0.386903      4.334510
  F      -8.361641      0.901119      4.091021
  C      -6.969593     -0.680093      5.206811
  C      -6.082646      0.327669      5.863562
  O      -5.467445      0.015433      6.876288
  C      -5.952080      1.741847      5.262341
  C      -6.684354     -2.035011      5.415601
  H      -2.405525     -7.774682      4.702718
  H      -4.036473     -7.020590      4.669382
  H      -3.217329     -7.432204      3.142231
  H      -4.618216     -5.803594      2.450491
  H      -5.905372     -3.853159      1.570393
  H      -1.344346     -0.347766      3.316853
  H      -1.402587     -1.149893      4.890970
  H      -1.987312     -3.135106      4.537808
  H      -5.584249     12.877418      4.636925
  H      -6.253278     12.618450      3.014858
  H      -4.770540     13.607403      3.214894
  H      -6.926367     10.928300      4.567728
  H      -7.764848      8.682036      5.231757
  H      -4.067399      5.724781      5.793646
  H      -4.802718      4.863544      4.428985
  H      -3.246569      9.114325      3.228413
  H      -8.834162     -5.517349      4.641299
  H      -7.364419     -6.542633      4.613160
  H      -7.754257     -5.465273      3.235061
  H      -9.030042     -3.477304      3.404678
  H      -9.595840     -1.080467      3.042737
  H      -6.800292      2.325606      5.677757
  H      -6.069086      1.703019      4.175343
  H      -5.862587     -2.292368      6.085106
  N      -3.223966      2.214601      2.866434
87
Coordinates from ORCA-job orca E -6506.273744539268
  N      -1.899879      0.917658      4.962113
  Mo     -3.100321      2.436298      4.531949
  N      -4.736892      2.354210      5.604344
  C      -4.499809      2.740830      6.983433
  C      -3.131759      2.342875      7.529285
  N      -2.037658      2.876610      6.717550
  C      -0.787274      2.130278      6.759611
  C      -0.958866      0.803567      6.071703
  C      -1.791623      4.319010      6.877530
  C      -1.680090      4.869261      5.467765
  N      -2.846134      4.454826      4.709881
  H       0.017936      0.451960      5.693553
  H      -1.317901      0.026898      6.776898
  H      -0.059755      2.724738      6.185754
  H      -0.395057      2.015040      7.787975
  H      -1.573943      5.969208      5.451929
  H      -0.765455      4.467276      5.001276
  H      -2.626237      4.782712      7.422097
  H      -0.871440      4.491246      7.466402
  H      -5.253874      2.280911      7.636988
  H      -4.634303      3.834469      7.088841
  H      -3.064125      1.246586      7.519939
  H      -3.043873      2.682876      8.579510
  C      -2.949351     -7.069135      4.105577
  C      -2.359076     -5.678232      4.123147
  O      -1.285072     -5.441115      4.665795
  C      -3.167478     -4.571514      3.519633
  C      -4.280854     -4.801441      2.699228
  C      -5.043455     -3.735786      2.228392
  C      -4.721850     -2.445504      2.628188
  F      -5.512324     -1.444255      2.201105
  C      -3.609850     -2.165980      3.448009
  C      -3.346002     -0.795472      3.959302
  O      -4.256532     -0.012742      4.135259
  C      -1.938761     -0.351386      4.262885
  C      -2.827956     -3.254063      3.849770
  C      -5.163169     12.763073      3.589193
  C      -4.334417     11.507620      3.425964
  O      -3.187489     11.555564      2.995163
  C      -4.946104     10.200802      3.831832
  C      -6.239104     10.108026      4.374699
  C      -6.764100      8.870747      4.731984
  C      -5.986920      7.730455      4.557761
  F      -6.546641      6.546782      4.909873
  C      -4.691833      7.767974      4.017705
  C      -3.781843      6.578159      3.815842
  O      -2.872884      6.656951      3.005607
  C      -3.939105      5.374204      4.763190
  C      -4.202624      9.029135      3.659022
  C      -7.759291     -5.602198      4.357686
  C      -6.949431     -4.499230      5.004309
  O      -5.976646     -4.762300      5.704942
  C      -7.390549     -3.083987      4.800674
  C      -8.461964     -2.744578      3.954820
  C      -8.804304     -1.412422      3.750151
  C      -8.061831     -0.421868      4.383587
  F      -8.409123      0.864067      4.149339
  C      -6.992181     -0.708385      5.245059
  C      -6.110050      0.304750      5.901501
  O      -5.489645     -0.006583      6.911087
  C      -5.990556      1.719560      5.301124
  C      -6.688776     -2.060495      5.442450
  H      -2.279562     -7.757521      4.630720
  H      -3.927896     -7.043303      4.610663
  H      -3.107512     -7.423976      3.077134
  H      -4.565250     -5.816589      2.423457
  H      -5.905600     -3.887724      1.579190
  H      -1.402593     -0.310354      3.293148
  H      -1.424797     -1.117976      4.864861
  H      -1.963966     -3.110214      4.498883
  H      -5.444216     12.903708      4.643749
  H      -6.094393     12.689635      3.008123
  H      -4.583780     13.625965      3.245820
  H      -6.847487     10.999370      4.523783
  H      -7.769115      8.773267      5.142426
  H      -4.134790      5.754418      5.782833
  H      -4.860076      4.865991      4.428375
  H      -3.203029      9.088471      3.225718
  H      -8.806600     -5.560567      4.691257
  H      -7.327522     -6.570613      4.631072
  H      -7.758043     -5.497328      3.262449
  H      -9.034912     -3.517772      3.443839
  H      -9.631705     -1.125589      3.101550
  H      -6.839402      2.297862      5.723032
  H      -6.113020      1.679385      4.214940
  H      -5.858583     -2.312783      6.103023
  N      -3.348665      2.233462      2.888543
87
Coordinates from ORCA-job orca E -6506.274919462780
  N      -1.946099      0.938264      4.951200
  Mo     -3.158496      2.458451      4.543587
  N      -4.773831      2.342888      5.635783
  C      -4.528488      2.718696      7.017150
  C      -3.153517      2.322538      7.549403
  N      -2.074194      2.877942      6.735194
  C      -0.814055      2.149252      6.744223
  C      -0.973435      0.831415      6.033788
  C      -1.844329      4.321672      6.906815
  C      -1.742506      4.885417      5.501661
  N      -2.902327      4.461800      4.739344
  H       0.002739      0.511217      5.626061
  H      -1.294148      0.032857      6.733103
  H      -0.103415      2.765752      6.172597
  H      -0.403623      2.020567      7.764155
  H      -1.651933      5.986714      5.494802
  H      -0.821827      4.501719      5.032153
  H      -2.679976      4.771670      7.460549
  H      -0.922141      4.499617      7.491235
  H      -5.277448      2.251657      7.671413
  H      -4.665123      3.811494      7.131785
  H      -3.076127      1.227069      7.523437
  H      -3.060982      2.647903      8.604051
  C      -2.862276     -7.063922      4.045762
  C      -2.303278     -5.660456      4.073407
  O      -1.224971     -5.407342      4.600059
  C      -3.142427     -4.565036      3.492689
  C      -4.264786     -4.810113      2.689024
  C      -5.054386     -3.756122      2.237734
  C      -4.750013     -2.462470      2.640797
  F      -5.565654     -1.473030      2.233036
  C      -3.630608     -2.167997      3.444542
  C      -3.386966     -0.793598      3.960642
  O      -4.310094     -0.031229      4.154736
  C      -1.983546     -0.329725      4.249677
  C      -2.822331     -3.243614      3.826372
  C      -5.025939     12.788883      3.606564
  C      -4.230035     11.512888      3.441362
  O      -3.074988     11.534045      3.030576
  C      -4.884947     10.218536      3.817164
  C      -6.190864     10.154078      4.332307
  C      -6.758103      8.927510      4.661316
  C      -6.008221      7.769128      4.488371
  F      -6.604348      6.594656      4.810608
  C      -4.702306      7.779061      3.975768
  C      -3.822181      6.566052      3.784492
  O      -2.917861      6.610521      2.967134
  C      -3.994778      5.384715      4.759133
  C      -4.169995      9.029303      3.642872
  C      -7.726425     -5.633788      4.384072
  C      -6.922313     -4.522802      5.023536
  O      -5.943240     -4.776260      5.718847
  C      -7.379102     -3.112220      4.824623
  C      -8.454517     -2.781178      3.980925
  C      -8.811032     -1.452017      3.781219
  C      -8.078227     -0.456225      4.417846
  F      -8.435944      0.827482      4.186239
  C      -7.006112     -0.734962      5.277455
  C      -6.130741      0.284228      5.935842
  O      -5.514322     -0.023550      6.948576
  C      -6.024428      1.700473      5.338223
  C      -6.687867     -2.083791      5.469799
  H      -2.172889     -7.741552      4.559250
  H      -3.837694     -7.067692      4.556640
  H      -3.018862     -7.411861      3.014849
  H      -4.535055     -5.828337      2.411082
  H      -5.923497     -3.920220      1.601185
  H      -1.457193     -0.286337      3.274433
  H      -1.456917     -1.091850      4.846741
  H      -1.950942     -3.087269      4.462231
  H      -5.320577     12.924946      4.657846
  H      -5.949154     12.749610      3.009908
  H      -4.416759     13.638880      3.283571
  H      -6.777022     11.059977      4.481549
  H      -7.774191      8.852757      5.048008
  H      -4.199023      5.785332      5.768521
  H      -4.912236      4.871148      4.423652
  H      -3.161007      9.067259      3.229929
  H      -8.770778     -5.602413      4.727488
  H      -7.282222     -6.597389      4.654089
  H      -7.736932     -5.530166      3.288997
  H      -9.019745     -3.558721      3.468280
  H      -9.641377     -1.171506      3.133957
  H      -6.875195      2.272151      5.765519
  H      -6.151827      1.659039      4.252622
  H      -5.854737     -2.330020      6.128569
  N      -3.468708      2.255324      2.910020
87
Coordinates from ORCA-job orca E -6506.276201582569
  N      -1.982607      0.952650      4.944751
  Mo     -3.205035      2.477865      4.551225
  N      -4.800498      2.332663      5.661693
  C      -4.548668      2.701077      7.045927
  C      -3.166930      2.307175      7.567014
  N      -2.100494      2.881375      6.750003
  C      -0.832152      2.168718      6.730349
  C      -0.980889      0.857298      6.001802
  C      -1.886049      4.326955      6.930085
  C      -1.795422      4.903026      5.528700
  N      -2.949278      4.467826      4.763128
  H      -0.005932      0.566383      5.568521
  H      -1.265143      0.041061      6.696566
  H      -0.136556      2.803568      6.160545
  H      -0.405376      2.030006      7.742564
  H      -1.721911      6.005303      5.530558
  H      -0.868601      4.538479      5.056199
  H      -2.721905      4.763999      7.493152
  H      -0.961126      4.511413      7.508429
  H      -5.293354      2.227967      7.700565
  H      -4.687007      3.793300      7.166839
  H      -3.080751      1.212747      7.526113
  H      -3.069679      2.619793      8.625190
  C      -2.783264     -7.063524      3.994754
  C      -2.250839     -5.650295      4.034900
  O      -1.175790     -5.382855      4.561249
  C      -3.112459     -4.564735      3.469993
  C      -4.236299     -4.822493      2.672281
  C      -5.044656     -3.778846      2.231538
  C      -4.757628     -2.482519      2.639631
  F      -5.589187     -1.503181      2.239284
  C      -3.638966     -2.175732      3.439223
  C      -3.416360     -0.797854      3.961439
  O      -4.351741     -0.053138      4.165597
  C      -2.017977     -0.317452      4.245953
  C      -2.811523     -3.240429      3.809774
  C      -4.915758     12.804816      3.634449
  C      -4.146194     11.513909      3.462658
  O      -2.981020     11.516211      3.080802
  C      -4.836178     10.228883      3.804351
  C      -6.154906     10.185018      4.287803
  C      -6.757026      8.966893      4.585301
  C      -6.027010      7.795809      4.414334
  F      -6.651779      6.627749      4.704628
  C      -4.710082      7.786018      3.933104
  C      -3.852712      6.555386      3.753475
  O      -2.949491      6.572464      2.934541
  C      -4.041114      5.393557      4.749586
  C      -4.141865      9.027298      3.629346
  C      -7.714511     -5.651728      4.405889
  C      -6.908464     -4.535044      5.032122
  O      -5.919188     -4.781842      5.715300
  C      -7.380603     -3.128216      4.845132
  C      -8.467021     -2.802234      4.014138
  C      -8.838056     -1.475351      3.826118
  C      -8.108148     -0.476765      4.461982
  F      -8.478838      0.805466      4.241376
  C      -7.026140     -0.751110      5.309126
  C      -6.150777      0.271069      5.966980
  O      -5.527974     -0.040011      6.974313
  C      -6.051134      1.687351      5.370819
  C      -6.693041     -2.097297      5.490303
  H      -2.082580     -7.730900      4.506265
  H      -3.760804     -7.092513      4.500008
  H      -2.927946     -7.406637      2.960586
  H      -4.492344     -5.842970      2.389765
  H      -5.914017     -3.953292      1.598372
  H      -1.491541     -0.279473      3.270087
  H      -1.487928     -1.074762      4.846826
  H      -1.939074     -3.073225      4.441041
  H      -5.228610     12.930194      4.681686
  H      -5.827548     12.798555      3.019518
  H      -4.280436     13.645427      3.338714
  H      -6.724430     11.101388      4.436639
  H      -7.783719      8.908949      4.945393
  H      -4.255720      5.812966      5.748924
  H      -4.954551      4.874893      4.412406
  H      -3.123331      9.050169      3.239950
  H      -8.752933     -5.628237      4.767176
  H      -7.258123     -6.611568      4.668495
  H      -7.745248     -5.549081      3.311315
  H      -9.029736     -3.582237      3.502710
  H      -9.677010     -1.198708      3.188686
  H      -6.901200      2.256500      5.803049
  H      -6.184906      1.643838      4.285958
  H      -5.851519     -2.340133      6.139223
  N      -3.573657      2.272733      2.929465
87
Coordinates from ORCA-job orca E -6506.277636662981
  N      -2.020347      0.963976      4.940338
  Mo     -3.252606      2.497362      4.564929
  N      -4.824992      2.323418      5.698305
  C      -4.564968      2.683072      7.086489
  C      -3.175373      2.290628      7.592360
  N      -2.122928      2.883623      6.769885
  C      -0.847948      2.184853      6.719075
  C      -0.989711      0.879841      5.971549
  C      -1.922187      4.330824      6.958635
  C      -1.843850      4.920797      5.561167
  N      -2.993067      4.474746      4.792878
  H      -0.017750      0.616962      5.512965
  H      -1.238516      0.047500      6.660831
  H      -0.167165      2.836410      6.150533
  H      -0.403550      2.035233      7.722457
  H      -1.787631      6.023612      5.573467
  H      -0.911650      4.575809      5.084578
  H      -2.757359      4.755091      7.531851
  H      -0.993848      4.520989      7.529881
  H      -5.304343      2.203038      7.741871
  H      -4.704448      3.774590      7.214293
  H      -3.081547      1.197556      7.534023
  H      -3.069578      2.588387      8.654029
  C      -2.711017     -7.063737      3.930364
  C      -2.206398     -5.641085      3.986535
  O      -1.129241     -5.361362      4.502305
  C      -3.093074     -4.564740      3.444550
  C      -4.223649     -4.834117      2.660162
  C      -5.053617     -3.800680      2.237215
  C      -4.779959     -2.502271      2.648792
  F      -5.630960     -1.532826      2.264859
  C      -3.656205     -2.184255      3.436206
  C      -3.451657     -0.803699      3.964315
  O      -4.398960     -0.077115      4.181021
  C      -2.056862     -0.308863      4.244148
  C      -2.808353     -3.238317      3.789745
  C      -4.822084     12.817646      3.641830
  C      -4.070466     11.515340      3.478584
  O      -2.896295     11.501292      3.125406
  C      -4.790709     10.239085      3.787318
  C      -6.122455     10.213308      4.234724
  C      -6.754647      9.003580      4.503500
  C      -6.039722      7.822227      4.340985
  F      -6.688446      6.660353      4.602732
  C      -4.711390      7.795212      3.895056
  C      -3.872344      6.549643      3.732397
  O      -2.964714      6.542261      2.918859
  C      -4.081685      5.405858      4.745720
  C      -4.112044      9.027450      3.617795
  C      -7.689433     -5.666390      4.415284
  C      -6.890869     -4.545660      5.043126
  O      -5.896887     -4.787056      5.721466
  C      -7.375149     -3.142094      4.864521
  C      -8.465922     -2.819933      4.038198
  C      -8.849315     -1.495130      3.860198
  C      -8.126354     -0.494796      4.501588
  F      -8.507290      0.786360      4.291103
  C      -7.040714     -0.765903      5.343409
  C      -6.167995      0.258755      6.005122
  O      -5.548509     -0.054154      7.013430
  C      -6.076288      1.676347      5.413817
  C      -6.694954     -2.109573      5.515087
  H      -1.994108     -7.722532      4.430351
  H      -3.685864     -7.121956      4.437768
  H      -2.852249     -7.396246      2.892264
  H      -4.468167     -5.856415      2.374424
  H      -5.928553     -3.984913      1.614779
  H      -1.528228     -0.278873      3.268756
  H      -1.526652     -1.062620      4.850317
  H      -1.931135     -3.061040      4.411322
  H      -5.158659     12.940763      4.681869
  H      -5.718622     12.833289      3.005174
  H      -4.165026     13.649120      3.368838
  H      -6.679084     11.138362      4.377889
  H      -7.791659      8.960523      4.834446
  H      -4.306898      5.842873      5.735022
  H      -4.992003      4.885006      4.405205
  H      -3.083664      9.037348      3.255162
  H      -8.726303     -5.653685      4.781339
  H      -7.222981     -6.622918      4.671938
  H      -7.726789     -5.560118      3.321405
  H      -9.022459     -3.601673      3.522805
  H      -9.691946     -1.221434      3.226605
  H      -6.925863      2.241827      5.852014
  H      -6.216553      1.633146      4.329520
  H      -5.849888     -2.349899      6.159982
  N      -3.684636      2.290557      2.958715
87
Coordinates from ORCA-job orca E -6506.279037139467
  N      -2.049932      0.970575      4.942540
  Mo     -3.290899      2.513453      4.583799
  N      -4.840622      2.312216      5.741130
  C      -4.571895      2.662312      7.133637
  C      -3.174172      2.271720      7.622916
  N      -2.135935      2.882998      6.794286
  C      -0.855552      2.196945      6.713518
  C      -0.992367      0.898033      5.948606
  C      -1.948247      4.331333      6.992246
  C      -1.883627      4.936906      5.599495
  N      -3.029058      4.480788      4.828862
  H      -0.024611      0.661336      5.466327
  H      -1.207244      0.051888      6.632548
  H      -0.188657      2.863302      6.145976
  H      -0.394257      2.037184      7.707961
  H      -1.845185      6.039782      5.624355
  H      -0.946815      4.612363      5.117515
  H      -2.782476      4.742274      7.576026
  H      -1.016359      4.526728      7.556109
  H      -5.305221      2.174071      7.789487
  H      -4.713141      3.752831      7.269074
  H      -3.073369      1.180281      7.547197
  H      -3.057945      2.554902      8.687420
  C      -2.646216     -7.064577      3.862459
  C      -2.165121     -5.634927      3.938004
  O      -1.090534     -5.345643      4.454034
  C      -3.070977     -4.565432      3.415761
  C      -4.202896     -4.842591      2.635904
  C      -5.048274     -3.817041      2.225915
  C      -4.788312     -2.518165      2.645681
  F      -5.651694     -1.556024      2.270945
  C      -3.665223     -2.192934      3.430668
  C      -3.478034     -0.811763      3.968564
  O      -4.436416     -0.101461      4.194179
  C      -2.087082     -0.305908      4.250569
  C      -2.802038     -3.238525      3.771146
  C      -4.757741     12.825045      3.626291
  C      -4.015838     11.515443      3.479160
  O      -2.830700     11.490910      3.165205
  C      -4.757306     10.245587      3.761115
  C      -6.101911     10.232102      4.168499
  C      -6.755421      9.028748      4.414764
  C      -6.047452      7.841033      4.270407
  F      -6.712204      6.683466      4.510647
  C      -4.707448      7.802496      3.863581
  C      -3.878400      6.546964      3.724731
  O      -2.960416      6.520446      2.923816
  C      -4.112626      5.418437      4.749599
  C      -4.085729      9.027609      3.607170
  C      -7.683092     -5.669900      4.410507
  C      -6.884769     -4.549904      5.039233
  O      -5.881647     -4.791264      5.704115
  C      -7.380685     -3.148067      4.881131
  C      -8.482073     -2.823962      4.070258
  C      -8.877093     -1.500036      3.912151
  C      -8.154224     -0.502315      4.558049
  F      -8.546290      0.778963      4.368031
  C      -7.058284     -0.775920      5.384245
  C      -6.181392      0.246662      6.048152
  O      -5.555665     -0.074708      7.049510
  C      -6.094721      1.666390      5.464444
  C      -6.701043     -2.118414      5.537041
  H      -1.918474     -7.716835      4.355299
  H      -3.621135     -7.148714      4.365714
  H      -2.778814     -7.385620      2.819610
  H      -4.435765     -5.865421      2.342757
  H      -5.923766     -4.007885      1.606446
  H      -1.549593     -0.286902      3.279376
  H      -1.562723     -1.056809      4.866577
  H      -1.924206     -3.054171      4.389536
  H      -5.124174     12.947761      4.656175
  H      -5.634702     12.854799      2.963577
  H      -4.083306     13.650075      3.377348
  H      -6.652269     11.162819      4.297974
  H      -7.802162      8.995915      4.714271
  H      -4.349760      5.870521      5.729389
  H      -5.019992      4.897740      4.402808
  H      -3.047483      9.029014      3.274265
  H      -8.715484     -5.667859      4.789062
  H      -7.206661     -6.625216      4.652680
  H      -7.735160     -5.554323      3.318295
  H      -9.037578     -3.603830      3.551010
  H      -9.728160     -1.224950      3.290768
  H      -6.941484      2.229398      5.911419
  H      -6.244339      1.626311      4.381021
  H      -5.847473     -2.360666      6.169613
  N      -3.780756      2.307578      2.994068
87
Coordinates from ORCA-job orca E -6506.280421977861
  N      -2.082385      0.976688      4.947126
  Mo     -3.332906      2.529218      4.611059
  N      -4.856232      2.298442      5.797180
  C      -4.576054      2.636107      7.194251
  C      -3.168860      2.247902      7.661707
  N      -2.147780      2.879491      6.824814
  C      -0.862652      2.206852      6.709874
  C      -0.996601      0.915481      5.925657
  C      -1.973219      4.328181      7.034615
  C      -1.925109      4.952912      5.648235
  N      -3.067727      4.487674      4.875532
  H      -0.035365      0.705971      5.417552
  H      -1.175679      0.055554      6.602744
  H      -0.211241      2.888766      6.143094
  H      -0.382186      2.035508      7.693509
  H      -1.905995      6.055301      5.689124
  H      -0.984500      4.651373      5.158570
  H      -2.806041      4.723976      7.630404
  H      -1.037413      4.528341      7.590512
  H      -5.301121      2.137277      7.850974
  H      -4.719995      3.725101      7.339758
  H      -3.061118      1.158613      7.566289
  H      -3.038259      2.514725      8.728687
  C      -2.585453     -7.061720      3.780572
  C      -2.128627     -5.625725      3.879037
  O      -1.055277     -5.327740      4.392839
  C      -3.054921     -4.562865      3.380704
  C      -4.189912     -4.846808      2.607651
  C      -5.052143     -3.829006      2.215094
  C      -4.804966     -2.530620      2.644662
  F      -5.682796     -1.575769      2.284871
  C      -3.680395     -2.199205      3.424567
  C      -3.509080     -0.819015      3.974177
  O      -4.478153     -0.125816      4.210602
  C      -2.121381     -0.303682      4.259384
  C      -2.801156     -3.236397      3.748246
  C      -4.699819     12.833391      3.581798
  C      -3.963058     11.517602      3.468922
  O      -2.768539     11.482727      3.193763
  C      -4.723520     10.254393      3.727833
  C      -6.081061     10.252909      4.089651
  C      -6.753253      9.056187      4.318072
  C      -6.050130      7.862702      4.201472
  F      -6.729449      6.710102      4.424398
  C      -4.698224      7.812769      3.838702
  C      -3.876887      6.548615      3.730586
  O      -2.941536      6.505156      2.951179
  C      -4.142976      5.434438      4.762867
  C      -4.056766      9.030596      3.598859
  C      -7.669267     -5.673859      4.394315
  C      -6.875140     -4.557146      5.033510
  O      -5.865338     -4.800595      5.687555
  C      -7.381455     -3.156676      4.897911
  C      -8.491099     -2.828734      4.100349
  C      -8.897193     -1.505646      3.964638
  C      -8.175990     -0.512271      4.619376
  F      -8.578965      0.769098      4.452822
  C      -7.071573     -0.790099      5.431624
  C      -6.191672      0.229194      6.100438
  O      -5.560510     -0.101770      7.094935
  C      -6.113013      1.653159      5.529108
  C      -6.703632     -2.131634      5.563136
  H      -1.845172     -7.708420      4.261968
  H      -3.558440     -7.173668      4.281944
  H      -2.712437     -7.367562      2.732402
  H      -4.411875     -5.869607      2.306191
  H      -5.930239     -4.025667      1.601252
  H      -1.572890     -0.296725      3.293923
  H      -1.605224     -1.052282      4.886511
  H      -1.921369     -3.045903      4.361817
  H      -5.100086     12.966583      4.597634
  H      -5.553782     12.865735      2.889895
  H      -4.010898     13.651504      3.350384
  H      -6.627228     11.188796      4.197433
  H      -7.809549      9.033242      4.582507
  H      -4.393468      5.900174      5.732935
  H      -5.047673      4.917026      4.406005
  H      -3.008407      9.023666      3.299880
  H      -8.699276     -5.684709      4.779072
  H      -7.184058     -6.628693      4.620258
  H      -7.729602     -5.543906      3.304207
  H      -9.044241     -3.605255      3.573607
  H      -9.755127     -1.227798      3.354159
  H      -6.956853      2.211067      5.988133
  H      -6.273854      1.620100      4.446768
  H      -5.843177     -2.377154      6.184821
  N      -3.882307      2.327535      3.040573
87
Coordinates from ORCA-job orca E -6506.281649613622
  N      -2.112475      0.982788      4.955331
  Mo     -3.373028      2.543915      4.644399
  N      -4.869129      2.281009      5.860436
  C      -4.575982      2.603009      7.261858
  C      -3.158492      2.219179      7.704427
  N      -2.156748      2.873337      6.859237
  C      -0.867201      2.215865      6.708705
  C      -0.999121      0.933045      5.905089
  C      -1.995904      4.321481      7.084074
  C      -1.967413      4.968998      5.706282
  N      -3.107489      4.495304      4.931473
  H      -0.046215      0.750727      5.370817
  H      -1.141980      0.060341      6.574421
  H      -0.232565      2.914006      6.142867
  H      -0.366785      2.032971      7.680445
  H      -1.969638      6.070141      5.767008
  H      -1.023774      4.694027      5.206640
  H      -2.826942      4.699806      7.693256
  H      -1.056154      4.526022      7.631896
  H      -5.290572      2.090223      7.919023
  H      -4.724843      3.689494      7.420807
  H      -3.042934      1.132677      7.588235
  H      -3.011810      2.469091      8.773312
  C      -2.528770     -7.053918      3.695238
  C      -2.094889     -5.612970      3.819051
  O      -1.023762     -5.307654      4.333322
  C      -3.039097     -4.556100      3.342839
  C      -4.175344     -4.845254      2.573434
  C      -5.052116     -3.834272      2.196822
  C      -4.817621     -2.537298      2.638129
  F      -5.707773     -1.588907      2.291657
  C      -3.693264     -2.201329      3.416157
  C      -3.536875     -0.823664      3.979338
  O      -4.515885     -0.146648      4.224819
  C      -2.152613     -0.301342      4.271993
  C      -2.799930     -3.230941      3.724222
  C      -4.650045     12.840044      3.514182
  C      -3.918059     11.519086      3.437039
  O      -2.714084     11.475510      3.208084
  C      -4.693265     10.262594      3.683567
  C      -6.061724     10.272123      4.001144
  C      -6.748516      9.081954      4.220811
  C      -6.048601      7.883754      4.139717
  F      -6.739499      6.736554      4.354580
  C      -4.686438      7.823229      3.820128
  C      -3.870478      6.552517      3.748661
  O      -2.915554      6.492868      2.994632
  C      -4.172300      5.451913      4.784809
  C      -4.029406      9.033953      3.588228
  C      -7.663358     -5.676047      4.367265
  C      -6.870382     -4.566107      5.019144
  O      -5.851152     -4.814686      5.656567
  C      -7.386021     -3.166456      4.912934
  C      -8.506582     -2.831456      4.134109
  C      -8.922503     -1.508853      4.026342
  C      -8.199304     -0.522598      4.689871
  F      -8.612709      0.759034      4.552064
  C      -7.083463     -0.807720      5.483011
  C      -6.197088      0.205590      6.155701
  O      -5.555499     -0.137907      7.139030
  C      -6.128281      1.635645      5.601162
  C      -6.706247     -2.148856      5.587803
  H      -1.777797     -7.696174      4.165971
  H      -3.500422     -7.192492      4.192406
  H      -2.648782     -7.343079      2.641438
  H      -4.386658     -5.867380      2.262231
  H      -5.931291     -4.035283      1.585998
  H      -1.589662     -0.307060      3.314664
  H      -1.648011     -1.048264      4.911982
  H      -1.919483     -3.035744      4.335251
  H      -5.083560     12.984906      4.514665
  H      -5.480165     12.871949      2.793919
  H      -3.948470     13.651893      3.299339
  H      -6.605309     11.212311      4.080702
  H      -7.812774      9.067911      4.451487
  H      -4.437837      5.930450      5.744667
  H      -5.073930      4.939245      4.414962
  H      -2.972315      9.019191      3.322477
  H      -8.689572     -5.701086      4.761332
  H      -7.169358     -6.631391      4.570794
  H      -7.735509     -5.526589      3.280400
  H      -9.060255     -3.602238      3.599514
  H      -9.789233     -1.225776      3.430950
  H      -6.968827      2.186135      6.075255
  H      -6.302294      1.613255      4.520306
  H      -5.836709     -2.400030      6.194283
  N      -3.976076      2.350270      3.093129
87
Coordinates from ORCA-job orca E -6506.282738751960
  N      -2.144928      0.989764      4.966400
  Mo     -3.416319      2.558155      4.683445
  N      -4.884183      2.260622      5.929484
  C      -4.577092      2.564892      7.334700
  C      -3.148830      2.187010      7.750181
  N      -2.168114      2.865112      6.896996
  C      -0.874642      2.224591      6.709705
  C      -1.005360      0.951161      5.886910
  C      -2.020985      4.311656      7.140000
  C      -2.015665      4.985510      5.773303
  N      -3.153318      4.503774      4.996289
  H      -0.062296      0.795379      5.326899
  H      -1.112784      0.066830      6.547549
  H      -0.258295      2.939551      6.144777
  H      -0.353479      2.030682      7.668487
  H      -2.041454      6.084339      5.857840
  H      -1.069925      4.741320      5.261424
  H      -2.849229      4.670225      7.764486
  H      -1.076905      4.520007      7.679071
  H      -5.279364      2.035569      7.991755
  H      -4.732820      3.648009      7.509509
  H      -3.025143      1.103904      7.612453
  H      -2.984746      2.419788      8.820297
  C      -2.474784     -7.039300      3.603208
  C      -2.063077     -5.594502      3.753223
  O      -0.996725     -5.282467      4.273496
  C      -3.024078     -4.543593      3.298358
  C      -4.159732     -4.836898      2.529516
  C      -5.050007     -3.832404      2.168330
  C      -4.829375     -2.537892      2.624203
  F      -5.731054     -1.595887      2.290456
  C      -3.706994     -2.198446      3.403485
  C      -3.565679     -0.824989      3.982910
  O      -4.554327     -0.163825      4.236446
  C      -2.185212     -0.297592      4.286990
  C      -2.800325     -3.220678      3.696214
  C      -4.595163     12.845023      3.416282
  C      -3.868681     11.518995      3.393371
  O      -2.659871     11.463433      3.194201
  C      -4.659233     10.271581      3.636715
  C      -6.036009     10.295128      3.914937
  C      -6.737537      9.113573      4.134972
  C      -6.044083      7.909678      4.092742
  F      -6.747810      6.770487      4.307999
  C      -4.674285      7.835332      3.811161
  C      -3.866313      6.557579      3.777420
  O      -2.889978      6.482445      3.052765
  C      -4.205760      5.470608      4.815236
  C      -4.001592      9.037156      3.578773
  C      -7.654221     -5.681452      4.337242
  C      -6.861494     -4.578930      5.001620
  O      -5.833552     -4.832919      5.622876
  C      -7.387472     -3.180956      4.927905
  C      -8.520431     -2.839280      4.170432
  C      -8.947255     -1.517993      4.093461
  C      -8.221915     -0.539245      4.765962
  F      -8.647365      0.741620      4.659799
  C      -7.093071     -0.831182      5.537499
  C      -6.200939      0.176118      6.214395
  O      -5.544029     -0.181095      7.182503
  C      -6.144750      1.613262      5.679346
  C      -6.705423     -2.171271      5.612589
  H      -1.715117     -7.677492      4.065537
  H      -3.446147     -7.203076      4.093187
  H      -2.585481     -7.311590      2.543805
  H      -4.359668     -5.857645      2.206407
  H      -5.928722     -4.036744      1.557948
  H      -1.604987     -0.315611      3.340007
  H      -1.694994     -1.043511      4.940805
  H      -1.920430     -3.021746      4.306791
  H      -5.055555     13.017870      4.400157
  H      -5.404945     12.862884      2.672737
  H      -3.883196     13.647596      3.200697
  H      -6.574730     11.240251      3.963233
  H      -7.807795      9.110649      4.336308
  H      -4.487036      5.961894      5.764258
  H      -5.103980      4.963358      4.431105
  H      -2.937762      9.011924      3.342574
  H      -8.676305     -5.720871      4.740802
  H      -7.151773     -6.637083      4.517407
  H      -7.738682     -5.511812      3.254219
  H      -9.074992     -3.603857      3.627816
  H      -9.823958     -1.230003      3.515277
  H      -6.982070      2.153789      6.170595
  H      -6.333399      1.603656      4.600501
  H      -5.825682     -2.427768      6.201849
  N      -4.067111      2.375637      3.150751
87
Coordinates from ORCA-job orca E -6506.283744054314
  N      -2.177502      0.997764      4.982090
  Mo     -3.460590      2.572044      4.731153
  N      -4.898608      2.237594      6.007214
  C      -4.576445      2.522580      7.415481
  C      -3.137261      2.151900      7.801601
  N      -2.179264      2.855100      6.940606
  C      -0.882669      2.233080      6.715189
  C      -1.013513      0.969531      5.873751
  C      -2.045356      4.298946      7.204509
  C      -2.066066      5.001951      5.851488
  N      -3.201423      4.512664      5.072141
  H      -0.081483      0.838853      5.289022
  H      -1.087430      0.074771      6.524868
  H      -0.286329      2.965189      6.150746
  H      -0.339704      2.029044      7.659816
  H      -2.117184      6.097065      5.963475
  H      -1.119404      4.792447      5.325758
  H      -2.869733      4.635928      7.845721
  H      -1.096638      4.510479      7.734292
  H      -5.264806      1.974956      8.072021
  H      -4.740204      3.601634      7.607964
  H      -3.005609      1.072864      7.641238
  H      -2.954297      2.367082      8.872247
  C      -2.421904     -7.018401      3.502561
  C      -2.033598     -5.570818      3.683965
  O      -0.969781     -5.253145      4.206228
  C      -3.010908     -4.525702      3.251227
  C      -4.146486     -4.822276      2.483373
  C      -5.050398     -3.824106      2.139470
  C      -4.842943     -2.532885      2.610974
  F      -5.756825     -1.597327      2.292640
  C      -3.721667     -2.190770      3.390661
  C      -3.594542     -0.822952      3.987984
  O      -4.592454     -0.177705      4.249647
  C      -2.217811     -0.292370      4.306084
  C      -2.801787     -3.205791      3.666468
  C      -4.541358     12.843535      3.289315
  C      -3.823591     11.512773      3.312972
  O      -2.609645     11.446129      3.151825
  C      -4.626654     10.276770      3.572909
  C      -6.008562     10.315581      3.822358
  C      -6.722299      9.144554      4.059049
  C      -6.036068      7.935777      4.061748
  F      -6.750968      6.806948      4.293240
  C      -4.661498      7.846223      3.809201
  C      -3.861389      6.562819      3.818192
  O      -2.866370      6.469588      3.121414
  C      -4.239406      5.490228      4.856567
  C      -3.975910      9.037353      3.560210
  C      -7.643776     -5.683588      4.290798
  C      -6.853444     -4.592268      4.976066
  O      -5.814645     -4.853142      5.576254
  C      -7.389042     -3.196328      4.940047
  C      -8.535272     -2.845986      4.206999
  C      -8.972203     -1.526379      4.165513
  C      -8.243096     -0.557472      4.848333
  F      -8.679330      0.722309      4.777587
  C      -7.100237     -0.858097      5.595214
  C      -6.200585      0.141259      6.276141
  O      -5.528689     -0.230412      7.228336
  C      -6.159768      1.587058      5.765402
  C      -6.702987     -2.196876      5.635956
  H      -1.651896     -7.653513      3.951988
  H      -3.391159     -7.209872      3.986687
  H      -2.526091     -7.269248      2.437069
  H      -4.335569     -5.841072      2.147593
  H      -5.929338     -4.031057      1.530217
  H      -1.618575     -0.322445      3.371181
  H      -1.744397     -1.037924      4.974198
  H      -1.921895     -3.003960      4.276125
  H      -5.022410     13.042632      4.258337
  H      -5.334390     12.849083      2.527748
  H      -3.819235     13.636356      3.071258
  H      -6.541963     11.264944      3.834475
  H      -7.796331      9.153497      4.239113
  H      -4.535579      5.994691      5.794283
  H      -5.134497      4.988962      4.458411
  H      -2.907757      9.000249      3.346144
  H      -8.661767     -5.742257      4.702376
  H      -7.131663     -6.639317      4.440881
  H      -7.740059     -5.486051      3.213423
  H      -9.092006     -3.602365      3.655051
  H      -9.859447     -1.231916      3.606921
  H      -6.993968      2.114519      6.276096
  H      -6.364117      1.593597      4.689135
  H      -5.812092     -2.460129      6.205185
  N      -4.154376      2.402790      3.216558
87
Coordinates from ORCA-job orca E -6506.284645118677
  N      -2.213635      1.008250      4.999036
  Mo     -3.509820      2.585107      4.781017
  N      -4.917894      2.212348      6.084900
  C      -4.580506      2.477990      7.495227
  C      -3.130835      2.116886      7.851852
  N      -2.196902      2.846318      6.984279
  C      -0.897428      2.245027      6.721764
  C      -1.028110      0.990725      5.863957
  C      -2.077208      4.286662      7.270224
  C      -2.124812      5.018812      5.932421
  N      -3.257303      4.521588      5.150367
  H      -0.107392      0.883205      5.256813
  H      -1.071201      0.087150      6.505571
  H      -0.322780      2.994058      6.156887
  H      -0.332438      2.033681      7.651870
  H      -2.202205      6.108810      6.073034
  H      -1.178132      4.845893      5.393438
  H      -2.897770      4.600801      7.927639
  H      -1.124404      4.502062      7.791181
  H      -5.253813      1.910895      8.150662
  H      -4.753686      3.552197      7.706333
  H      -2.990467      1.042648      7.668669
  H      -2.929167      2.314952      8.922368
  C      -2.367209     -6.989757      3.398609
  C      -2.001059     -5.540372      3.608942
  O      -0.943104     -5.217171      4.139827
  C      -2.994443     -4.501828      3.197512
  C      -4.127718     -4.801352      2.427298
  C      -5.044863     -3.809935      2.099725
  C      -4.853009     -2.523182      2.589937
  F      -5.778621     -1.594595      2.285671
  C      -3.735219     -2.178770      3.373654
  C      -3.624018     -0.818333      3.991792
  O      -4.631438     -0.189716      4.260901
  C      -2.251961     -0.284564      4.326625
  C      -2.801923     -3.185881      3.632798
  C      -4.471745     12.835751      3.142687
  C      -3.767132     11.500330      3.225945
  O      -2.552511     11.415874      3.078651
  C      -4.586578     10.280589      3.510722
  C      -5.970829     10.340726      3.742214
  C      -6.699835      9.184569      4.004147
  C      -6.027034      7.969023      4.048752
  F      -6.756955      6.855414      4.304740
  C      -4.650676      7.858052      3.814499
  C      -3.863991      6.567054      3.862605
  O      -2.851338      6.455255      3.194244
  C      -4.279731      5.509508      4.900978
  C      -3.949277      9.034523      3.540654
  C      -7.629766     -5.690329      4.248269
  C      -6.839889     -4.608755      4.949285
  O      -5.791051     -4.874852      5.529589
  C      -7.387687     -3.216904      4.953069
  C      -8.549800     -2.860934      4.248306
  C      -8.999282     -1.544857      4.244183
  C      -8.266606     -0.584539      4.935433
  F      -8.716528      0.692135      4.902265
  C      -7.107235     -0.890792      5.654037
  C      -6.201682      0.102269      6.337875
  O      -5.508745     -0.283293      7.269262
  C      -6.178573      1.556413      5.851818
  C      -6.697708     -2.226563      5.658317
  H      -1.588694     -7.621501      3.838165
  H      -3.335114     -7.206126      3.875006
  H      -2.463476     -7.221012      2.327826
  H      -4.304145     -5.817378      2.076322
  H      -5.921931     -4.018977      1.488392
  H      -1.632376     -0.325605      3.405427
  H      -1.796322     -1.029272      5.009507
  H      -1.923407     -2.981525      4.243668
  H      -4.961891     13.076616      4.097613
  H      -5.256046     12.819321      2.372168
  H      -3.739448     13.612944      2.903117
  H      -6.494227     11.295573      3.720696
  H      -7.775645      9.210104      4.171898
  H      -4.589538      6.026916      5.827346
  H      -5.171740      5.014298      4.489228
  H      -2.879052      8.980583      3.340863
  H      -8.642387     -5.767685      4.670036
  H      -7.107800     -6.644898      4.369236
  H      -7.740623     -5.467649      3.177150
  H      -9.108977     -3.609936      3.688673
  H      -9.899135     -1.246312      3.708264
  H      -7.009360      2.068965      6.383085
  H      -6.399834      1.579462      4.778923
  H      -5.793781     -2.494175      6.204608
  N      -4.240367      2.428764      3.283209
87
Coordinates from ORCA-job orca E -6506.285459120415
  N      -2.255637      1.021590      5.017124
  Mo     -3.566070      2.597730      4.833456
  N      -4.942785      2.185809      6.164249
  C      -4.589565      2.432593      7.575632
  C      -3.129635      2.084019      7.902005
  N      -2.221853      2.840432      7.027911
  C      -0.919977      2.261744      6.728474
  C      -1.050747      1.015488      5.857187
  C      -2.117041      4.276665      7.335832
  C      -2.191469      5.036438      6.013980
  N      -3.320945      4.530948      5.229193
  H      -0.141810      0.928794      5.229284
  H      -1.065373      0.104826      6.489988
  H      -0.369192      3.026961      6.161260
  H      -0.331940      2.046494      7.643348
  H      -2.295168      6.120032      6.183148
  H      -1.245670      4.900036      5.463202
  H      -2.933890      4.567722      8.008304
  H      -1.160677      4.496760      7.848416
  H      -5.246256      1.845055      8.229746
  H      -4.773694      3.501114      7.805983
  H      -2.979697      1.015325      7.695963
  H      -2.908607      2.265828      8.971545
  C      -2.308603     -6.953673      3.288078
  C      -1.967284     -5.503177      3.530378
  O      -0.913503     -5.173536      4.065735
  C      -2.978402     -4.472898      3.141732
  C      -4.109649     -4.776355      2.369974
  C      -5.041815     -3.793226      2.060606
  C      -4.866837     -2.511640      2.570437
  F      -5.805969     -1.591565      2.282383
  C      -3.752134     -2.163929      3.357174
  C      -3.657697     -0.812090      3.997235
  O      -4.674693     -0.201287      4.273861
  C      -2.290987     -0.274885      4.350214
  C      -2.803759     -3.161507      3.597853
  C      -4.386164     12.822032      2.990481
  C      -3.701138     11.480044      3.119591
  O      -2.486646     11.374356      2.985572
  C      -4.539181     10.281694      3.439665
  C      -5.923089     10.368756      3.664654
  C      -6.669183      9.232010      3.960960
  C      -6.014423      8.008669      4.045666
  F      -6.761742      6.915373      4.335569
  C      -4.638978      7.870650      3.819462
  C      -3.869881      6.571012      3.906912
  O      -2.842424      6.437004      3.265319
  C      -4.325153      5.530110      4.944656
  C      -3.920162      9.028207      3.511345
  C      -7.605609     -5.699838      4.201269
  C      -6.819737     -4.628637      4.922474
  O      -5.758939     -4.897476      5.479492
  C      -7.381962     -3.243026      4.968251
  C      -8.561698     -2.884289      4.294793
  C      -9.025758     -1.573670      4.329985
  C      -8.289824     -0.620945      5.028364
  F      -8.754829      0.650780      5.034221
  C      -7.112332     -0.929935      5.715786
  C      -6.201612      0.058590      6.399886
  O      -5.486970     -0.337710      7.310225
  C      -6.201088      1.521007      5.939964
  C      -6.688432     -2.260904      5.681656
  H      -1.518416     -7.581292      3.712628
  H      -3.272155     -7.198024      3.759930
  H      -2.401494     -7.162045      2.212167
  H      -4.272264     -5.789120      2.002933
  H      -5.917327     -4.005031      1.447837
  H      -1.650026     -0.327282      3.444374
  H      -1.854264     -1.017389      5.049259
  H      -1.926085     -2.953965      4.209021
  H      -4.876038     13.100960      3.935249
  H      -5.168022     12.791674      2.217784
  H      -3.641847     13.580580      2.728916
  H      -6.433054     11.329766      3.611488
  H      -7.744919      9.278451      4.125274
  H      -4.647448      6.060958      5.859071
  H      -5.214338      5.042012      4.518879
  H      -2.849924      8.952964      3.318285
  H      -8.612328     -5.801363      4.632112
  H      -7.070969     -6.651059      4.289226
  H      -7.731672     -5.448216      3.138160
  H      -9.123269     -3.626533      3.728403
  H      -9.939571     -1.273262      3.819130
  H      -7.028910      2.015346      6.492926
  H      -6.440186      1.561078      4.871225
  H      -5.770017     -2.530491      6.202379
  N      -4.329458      2.452554      3.352008
87
Coordinates from ORCA-job orca E -6506.286134078620
  N      -2.300548      1.035431      5.034476
  Mo     -3.623345      2.610263      4.881504
  N      -4.971512      2.160918      6.236029
  C      -4.604446      2.390081      7.647988
  C      -3.135118      2.056172      7.946816
  N      -2.252591      2.837769      7.067214
  C      -0.948949      2.280584      6.734551
  C      -1.080387      1.040130      5.854412
  C      -2.161906      4.269440      7.396480
  C      -2.261091      5.055075      6.090985
  N      -3.386972      4.542259      5.302206
  H      -0.181986      0.969033      5.209715
  H      -1.071982      0.125092      6.481081
  H      -0.421159      3.059251      6.163477
  H      -0.339386      2.064788      7.635108
  H      -2.390242      6.131057      6.288596
  H      -1.316442      4.953917      5.530807
  H      -2.975625      4.538158      8.081923
  H      -1.202854      4.493994      7.902274
  H      -5.243922      1.781231      8.299563
  H      -4.801502      3.451961      7.897847
  H      -2.975331      0.993208      7.720237
  H      -2.896341      2.224444      9.014735
  C      -2.255039     -6.911449      3.178312
  C      -1.936653     -5.460358      3.447724
  O      -0.887100     -5.124004      3.987359
  C      -2.965942     -4.439323      3.082317
  C      -4.095377     -4.746925      2.309403
  C      -5.042721     -3.772666      2.018606
  C      -4.884568     -2.496811      2.548049
  F      -5.837842     -1.586292      2.276989
  C      -3.772644     -2.145499      3.337415
  C      -3.694216     -0.803216      3.999449
  O      -4.720219     -0.207245      4.278334
  C      -2.333433     -0.266757      4.377601
  C      -2.809106     -3.133048      3.559284
  C      -4.293644     12.808620      2.849673
  C      -3.628698     11.461690      3.024662
  O      -2.415456     11.333991      2.898704
  C      -4.486126     10.285088      3.373952
  C      -5.869349     10.398756      3.591794
  C      -6.632435      9.281913      3.918476
  C      -5.996375      8.051677      4.040008
  F      -6.762011      6.979682      4.358963
  C      -4.622254      7.886682      3.822280
  C      -3.871299      6.579499      3.948266
  O      -2.826734      6.426094      3.338735
  C      -4.369418      5.553482      4.979992
  C      -3.886235      9.025139      3.483552
  C      -7.574007     -5.718609      4.167977
  C      -6.791494     -4.654555      4.903428
  O      -5.718385     -4.922321      5.437082
  C      -7.369900     -3.277199      4.988491
  C      -8.569694     -2.921407      4.349596
  C      -9.049947     -1.618031      4.421415
  C      -8.310250     -0.668996      5.120946
  F      -8.792442      0.595596      5.163847
  C      -7.112545     -0.975027      5.774281
  C      -6.197768      0.012786      6.453928
  O      -5.454954     -0.390763      7.338333
  C      -6.224878      1.482765      6.019846
  C      -6.672390     -2.299488      5.704217
  H      -1.452173     -7.534063      3.586325
  H      -3.212080     -7.181438      3.649721
  H      -2.349596     -7.099324      2.098619
  H      -4.244081     -5.755936      1.926052
  H      -5.916903     -3.987246      1.404663
  H      -1.665829     -0.335412      3.492434
  H      -1.923462     -1.005990      5.097615
  H      -1.931760     -2.922291      4.170093
  H      -4.782263     13.125032      3.783339
  H      -5.073559     12.764584      2.075454
  H      -3.537412     13.547585      2.566699
  H      -6.365659     11.365125      3.510028
  H      -7.707808      9.348944      4.079033
  H      -4.707106      6.096576      5.881702
  H      -5.254172      5.073568      4.536100
  H      -2.816129      8.928905      3.298600
  H      -8.573214     -5.844659      4.609962
  H      -7.025575     -6.664417      4.224815
  H      -7.718426     -5.442253      3.113211
  H      -9.134565     -3.659921      3.781346
  H      -9.979701     -1.320166      3.938275
  H      -7.050831      1.955568      6.594207
  H      -6.482251      1.538842      4.955926
  H      -5.738006     -2.566589      6.197366
  N      -4.410241      2.475024      3.412874
87
Coordinates from ORCA-job orca E -6506.286682851262
  N      -2.350719      1.049797      5.052100
  Mo     -3.682197      2.623603      4.928997
  N      -5.004253      2.139675      6.304305
  C      -4.624778      2.352287      7.716350
  C      -3.147323      2.033819      7.990172
  N      -2.288420      2.837340      7.105102
  C      -0.984598      2.298126      6.742455
  C      -1.119553      1.061421      5.858070
  C      -2.208781      4.263989      7.454454
  C      -2.330086      5.073894      6.165558
  N      -3.452807      4.556010      5.372027
  H      -0.229973      0.998133      5.200746
  H      -1.096685      0.144436      6.481613
  H      -0.477562      3.086467      6.165548
  H      -0.355066      2.083933      7.629517
  H      -2.482669      6.141360      6.391182
  H      -1.387176      5.005745      5.597487
  H      -3.019374      4.512216      8.151272
  H      -1.247329      4.491650      7.954528
  H      -5.247100      1.722534      8.364589
  H      -4.835612      3.406776      7.985409
  H      -2.978700      0.976259      7.746137
  H      -2.892027      2.191595      9.055877
  C      -2.207030     -6.860373      3.061038
  C      -1.912078     -5.409148      3.356648
  O      -0.864193     -5.064706      3.894548
  C      -2.961807     -4.399288      3.018207
  C      -4.091868     -4.712257      2.248244
  C      -5.056898     -3.748661      1.980584
  C      -4.915202     -2.479235      2.529803
  F      -5.885426     -1.580618      2.280539
  C      -3.802933     -2.122790      3.316967
  C      -3.738165     -0.791176      4.000944
  O      -4.771717     -0.207039      4.279197
  C      -2.383569     -0.260420      4.410155
  C      -2.822392     -3.098710      3.515900
  C      -4.197331     12.795093      2.720341
  C      -3.551961     11.444308      2.934930
  O      -2.339511     11.297296      2.823380
  C      -4.428307     10.288628      3.307789
  C      -5.811152     10.426859      3.514566
  C      -6.590410      9.329371      3.866935
  C      -5.972221      8.094019      4.025110
  F      -6.756401      7.043068      4.366934
  C      -4.598872      7.904065      3.820581
  C      -3.865193      6.591687      3.988064
  O      -2.802545      6.420089      3.414840
  C      -4.408775      5.580889      5.010406
  C      -3.846688      9.024064      3.454986
  C      -7.527640     -5.745397      4.145628
  C      -6.751075     -4.686079      4.894392
  O      -5.664743     -4.948186      5.403718
  C      -7.347388     -3.318716      5.014577
  C      -8.567384     -2.971445      4.409887
  C      -9.065064     -1.676661      4.513626
  C      -8.322880     -0.727113      5.209835
  F      -8.823305      0.528728      5.285099
  C      -7.105154     -1.024633      5.829869
  C      -6.188816     -0.033489      6.501453
  O      -5.415215     -0.439262      7.358335
  C      -6.249629      1.443418      6.094375
  C      -6.647466     -2.341392      5.728555
  H      -1.387423     -7.476362      3.445332
  H      -3.152645     -7.157559      3.539512
  H      -2.312561     -7.027001      1.978712
  H      -4.226931     -5.717058      1.848627
  H      -5.932165     -3.966983      1.369220
  H      -1.685353     -0.350243      3.551209
  H      -2.008541     -0.995036      5.155101
  H      -1.943174     -2.883940      4.122976
  H      -4.688432     13.141558      3.642127
  H      -4.972221     12.741372      1.941467
  H      -3.429155     13.516705      2.424632
  H      -6.294807     11.397069      3.404290
  H      -7.665693      9.415192      4.020277
  H      -4.762854      6.136252      5.898294
  H      -5.288110      5.110404      4.545834
  H      -2.776420      8.908428      3.281437
  H      -8.518037     -5.899299      4.598773
  H      -6.962971     -6.683082      4.171195
  H      -7.692227     -5.445554      3.100060
  H      -9.134781     -3.709390      3.843108
  H     -10.010842     -1.385599      4.057821
  H      -7.074923      1.890380      6.690094
  H      -6.525214      1.515395      5.035938
  H      -5.697476     -2.601691      6.195184
  N      -4.485838      2.497958      3.470073
87
Coordinates from ORCA-job orca E -6506.287143224520
  N      -2.397788      1.062598      5.069621
  Mo     -3.731682      2.636631      4.973794
  N      -5.036886      2.124381      6.363126
  C      -4.649166      2.322832      7.774689
  C      -3.166072      2.018103      8.030088
  N      -2.325092      2.837021      7.140472
  C      -1.022504      2.308633      6.756157
  C      -1.164396      1.072443      5.874936
  C      -2.250756      4.258548      7.507815
  C      -2.388430      5.091112      6.235187
  N      -3.508120      4.572452      5.435273
  H      -0.278422      1.002912      5.213996
  H      -1.144035      0.157367      6.501382
  H      -0.530547      3.100849      6.171212
  H      -0.377647      2.098125      7.632906
  H      -2.560870      6.149786      6.487788
  H      -1.447626      5.052439      5.660738
  H      -3.059165      4.490049      8.213025
  H      -1.287707      4.486077      8.005023
  H      -5.256719      1.674788      8.419033
  H      -4.873444      3.369939      8.060764
  H      -2.990923      0.964398      7.775154
  H      -2.898595      2.170656      9.093561
  C      -2.175511     -6.804140      2.949857
  C      -1.900036     -5.353201      3.266637
  O      -0.853613     -5.001600      3.802847
  C      -2.967815     -4.353895      2.952792
  C      -4.098978     -4.671211      2.186143
  C      -5.079698     -3.717221      1.940849
  C      -4.951896     -2.454385      2.508313
  F      -5.937429     -1.567418      2.279477
  C      -3.838041     -2.093387      3.292099
  C      -3.782551     -0.773558      3.997358
  O      -4.821093     -0.195026      4.270691
  C      -2.434389     -0.256888      4.446328
  C      -2.843056     -3.059232      3.469523
  C      -4.111538     12.778757      2.596681
  C      -3.482807     11.425861      2.845061
  O      -2.272778     11.259795      2.734011
  C      -4.374493     10.290925      3.245798
  C      -5.755365     10.452567      3.450257
  C      -6.547178      9.374109      3.831408
  C      -5.945195      8.134864      4.020389
  F      -6.745385      7.105034      4.387277
  C      -4.573907      7.921281      3.821502
  C      -3.855488      6.606054      4.025893
  O      -2.779647      6.417239      3.482201
  C      -4.437251      5.610245      5.039789
  C      -3.809480      9.023306      3.425774
  C      -7.471972     -5.780529      4.139829
  C      -6.701009     -4.721386      4.895090
  O      -5.603374     -4.974614      5.384432
  C      -7.314781     -3.364097      5.041142
  C      -8.552061     -3.029416      4.464643
  C      -9.066072     -1.742949      4.590701
  C      -8.323617     -0.788558      5.279802
  F      -8.841080      0.458636      5.376825
  C      -7.088925     -1.073359      5.872760
  C      -6.174330     -0.075575      6.534649
  O      -5.368672     -0.478625      7.363296
  C      -6.271597      1.407307      6.154916
  C      -6.614937     -2.382952      5.749940
  H      -1.339207     -7.413362      3.308167
  H      -3.107194     -7.124614      3.440875
  H      -2.298567     -6.952895      1.866682
  H      -4.222454     -5.671468      1.771270
  H      -5.956698     -3.938332      1.332721
  H      -1.701837     -0.371258      3.620207
  H      -2.104825     -0.987402      5.217732
  H      -1.962043     -2.841886      4.073401
  H      -4.598009     13.153371      3.510020
  H      -4.887445     12.714767      1.819374
  H      -3.334844     13.483720      2.283276
  H      -6.227805     11.425371      3.315176
  H      -7.621200      9.477369      3.984136
  H      -4.803931      6.177144      5.915303
  H      -5.312374      5.148712      4.557811
  H      -2.740542      8.888871      3.256327
  H      -8.452367     -5.960173      4.605334
  H      -6.891386     -6.708889      4.139102
  H      -7.657957     -5.463964      3.102633
  H      -9.120595     -3.770030      3.902284
  H     -10.025469     -1.461740      4.157310
  H      -7.097534      1.825676      6.770080
  H      -6.563396      1.495186      5.102181
  H      -5.652199     -2.633305      6.195866
  N      -4.536471      2.522002      3.515781
87
Coordinates from ORCA-job orca E -6506.287605117226
  N      -2.442690      1.075787      5.088967
  Mo     -3.773666      2.647633      5.021258
  N      -5.069160      2.114366      6.416568
  C      -4.675853      2.302710      7.826655
  C      -3.189608      2.009383      8.070204
  N      -2.361559      2.837044      7.175978
  C      -1.061611      2.313747      6.776094
  C      -1.214231      1.075233      5.904995
  C      -2.287282      4.253946      7.556753
  C      -2.436375      5.104546      6.297865
  N      -3.553964      4.587845      5.492244
  H      -0.327813      0.986057      5.247900
  H      -1.212310      0.165374      6.539196
  H      -0.581565      3.105101      6.179695
  H      -0.403448      2.109400      7.644242
  H      -2.623455      6.155841      6.572071
  H      -1.498152      5.089061      5.718098
  H      -3.093416      4.474096      8.268384
  H      -1.322549      4.479317      8.051730
  H      -5.272477      1.642076      8.468686
  H      -4.911250      3.343740      8.125230
  H      -3.009984      0.957553      7.811812
  H      -2.914589      2.162300      9.131734
  C      -2.151597     -6.743201      2.838336
  C      -1.892340     -5.292757      3.171878
  O      -0.844814     -4.933722      3.700803
  C      -2.977909     -4.304411      2.884380
  C      -4.114416     -4.626962      2.128061
  C      -5.111606     -3.683085      1.910023
  C      -4.993987     -2.426794      2.493670
  F      -5.995944     -1.552444      2.290696
  C      -3.874592     -2.060544      3.267810
  C      -3.825689     -0.754907      3.996709
  O      -4.866619     -0.180659      4.267658
  C      -2.484572     -0.253139      4.484621
  C      -2.864406     -3.015629      3.417999
  C      -4.030795     12.752503      2.480646
  C      -3.419472     11.395941      2.751716
  O      -2.213343     11.208814      2.632898
  C      -4.325284     10.284189      3.185815
  C      -5.702397     10.471261      3.394973
  C      -6.506042      9.413194      3.806591
  C      -5.921363      8.169722      4.021345
  F      -6.736983      7.162121      4.414149
  C      -4.553712      7.930945      3.821821
  C      -3.851786      6.612695      4.055946
  O      -2.771259      6.403283      3.528187
  C      -4.459889      5.636025      5.071492
  C      -3.777907      9.013631      3.394467
  C      -7.406589     -5.813092      4.138561
  C      -6.642497     -4.751237      4.897583
  O      -5.534050     -4.992306      5.368220
  C      -7.274984     -3.404945      5.065257
  C      -8.525582     -3.084590      4.509253
  C      -9.055946     -1.806544      4.651854
  C      -8.317293     -0.845560      5.335419
  F      -8.850886      0.393324      5.446308
  C      -7.069853     -1.116038      5.909699
  C      -6.161514     -0.109983      6.563408
  O      -5.329929     -0.505251      7.370641
  C      -6.292162      1.376770      6.206358
  C      -6.579910     -2.418727      5.771447
  H      -1.297161     -7.344847      3.165131
  H      -3.064603     -7.084223      3.350506
  H      -2.302001     -6.877218      1.756764
  H      -4.229543     -5.622793      1.700260
  H      -5.994110     -3.907552      1.311065
  H      -1.721577     -0.387750      3.690898
  H      -2.198678     -0.978740      5.278732
  H      -1.978475     -2.795936      4.013803
  H      -4.506332     13.150458      3.389911
  H      -4.812271     12.683445      1.709309
  H      -3.246839     13.440869      2.148938
  H      -6.162772     11.446659      3.238559
  H      -7.577616      9.535125      3.963331
  H      -4.829947      6.214888      5.937161
  H      -5.334559      5.181745      4.580761
  H      -2.711990      8.858454      3.222779
  H      -8.375060     -6.018920      4.617990
  H      -6.809212     -6.730426      4.112961
  H      -7.615993     -5.483227      3.109993
  H      -9.092104     -3.828959      3.949856
  H     -10.025619     -1.536436      4.234377
  H      -7.118876      1.768799      6.837378
  H      -6.596095      1.478685      5.158725
  H      -5.607587     -2.657667      6.202915
  N      -4.574049      2.543293      3.560613
87
Coordinates from ORCA-job orca E -6506.287988530911
  N      -2.445152      1.076424      5.103034
  Mo     -3.763716      2.653511      5.040064
  N      -5.074655      2.118332      6.424100
  C      -4.686053      2.305115      7.832261
  C      -3.201634      2.011820      8.082985
  N      -2.368548      2.834514      7.190953
  C      -1.069499      2.304967      6.794737
  C      -1.230071      1.062583      5.936401
  C      -2.287155      4.249942      7.577074
  C      -2.434349      5.106869      6.323315
  N      -3.549604      4.597776      5.513057
  H      -0.336646      0.948958      5.293033
  H      -1.254246      0.160849      6.581876
  H      -0.586875      3.090992      6.192990
  H      -0.410831      2.102917      7.663003
  H      -2.621656      6.156899      6.604269
  H      -1.496083      5.096181      5.743169
  H      -3.093325      4.471258      8.288714
  H      -1.322434      4.468094      8.075051
  H      -5.282462      1.642934      8.473626
  H      -4.923530      3.344899      8.133811
  H      -3.022124      0.957793      7.834572
  H      -2.934898      2.172744      9.145542
  C      -2.173623     -6.719197      2.814735
  C      -1.910263     -5.267750      3.141666
  O      -0.860542     -4.909562      3.667197
  C      -2.994858     -4.277831      2.855036
  C      -4.134370     -4.598681      2.102459
  C      -5.130709     -3.652167      1.889363
  C      -5.009771     -2.396636      2.474107
  F      -6.011351     -1.522437      2.271717
  C      -3.887814     -2.032208      3.246629
  C      -3.835452     -0.732903      3.984672
  O      -4.872981     -0.146866      4.244344
  C      -2.497387     -0.253773      4.504665
  C      -2.878484     -2.990011      3.390455
  C      -4.024121     12.739172      2.443543
  C      -3.414862     11.382546      2.718878
  O      -2.210741     11.189826      2.587302
  C      -4.320861     10.277127      3.169068
  C      -5.696843     10.468928      3.382790
  C      -6.499857      9.414865      3.806013
  C      -5.916659      8.171676      4.027258
  F      -6.732540      7.168746      4.431333
  C      -4.550196      7.928230      3.824400
  C      -3.850772      6.611103      4.062465
  O      -2.777655      6.391654      3.522668
  C      -4.453351      5.642995      5.088160
  C      -3.775205      9.007369      3.385674
  C      -7.381816     -5.836653      4.162771
  C      -6.614215     -4.765441      4.905553
  O      -5.501107     -4.998717      5.369204
  C      -7.251328     -3.421273      5.069698
  C      -8.503928     -3.106979      4.513628
  C      -9.036866     -1.829564      4.651176
  C      -8.300273     -0.863170      5.329092
  F      -8.837317      0.374933      5.431963
  C      -7.051636     -1.127491      5.904677
  C      -6.146321     -0.117480      6.554780
  O      -5.302374     -0.508113      7.351582
  C      -6.290162      1.371454      6.206616
  C      -6.558765     -2.430001      5.771146
  H      -1.316274     -7.321321      3.132882
  H      -3.080435     -7.056574      3.340318
  H      -2.339070     -6.857354      1.735891
  H      -4.252311     -5.593794      1.673749
  H      -6.015711     -3.873900      1.292917
  H      -1.716807     -0.400528      3.731095
  H      -2.245688     -0.984891      5.305336
  H      -1.989784     -2.773399      3.983329
  H      -4.494062     13.142743      3.353319
  H      -4.809649     12.667780      1.676376
  H      -3.240244     13.423815      2.103852
  H      -6.155837     11.444061      3.220561
  H      -7.570718      9.539120      3.966631
  H      -4.819958      6.228415      5.951472
  H      -5.331515      5.186732      4.604179
  H      -2.710525      8.847455      3.209936
  H      -8.342717     -6.044009      4.656780
  H      -6.780315     -6.751326      4.135691
  H      -7.606488     -5.515002      3.134739
  H      -9.070046     -3.855408      3.959252
  H     -10.007687     -1.563787      4.233225
  H      -7.120587      1.752403      6.839051
  H      -6.594892      1.478040      5.159857
  H      -5.585317     -2.663765      6.203314
  N      -4.540437      2.560169      3.565898
87
Coordinates from ORCA-job orca E -6506.292018113792
  N      -2.451086      1.090308      5.161399
  Mo     -3.785316      2.651994      5.155659
  N      -5.083024      2.099540      6.542994
  C      -4.677189      2.274788      7.942131
  C      -3.192422      1.979260      8.167566
  N      -2.377254      2.819061      7.280408
  C      -1.079236      2.300791      6.865961
  C      -1.240351      1.065564      5.994577
  C      -2.308410      4.231750      7.683559
  C      -2.461088      5.095877      6.435857
  N      -3.570351      4.595090      5.616832
  H      -0.342618      0.961132      5.354697
  H      -1.262542      0.156905      6.631376
  H      -0.600576      3.097783      6.275425
  H      -0.413743      2.085714      7.726154
  H      -2.644444      6.146080      6.719208
  H      -1.520372      5.088989      5.858611
  H      -3.118869      4.441322      8.394194
  H      -1.348653      4.451579      8.189935
  H      -5.261205      1.605463      8.588289
  H      -4.905338      3.313071      8.256898
  H      -3.011503      0.927926      7.908593
  H      -2.920952      2.130194      9.230731
  C      -2.188205     -6.633790      2.651570
  C      -1.933594     -5.192699      3.028713
  O      -0.878182     -4.845302      3.550400
  C      -3.024068     -4.198872      2.780985
  C      -4.168299     -4.500617      2.027721
  C      -5.168862     -3.550476      1.853262
  C      -5.046492     -2.312415      2.474494
  F      -6.049339     -1.434656      2.297468
  C      -3.919387     -1.966780      3.248721
  C      -3.864107     -0.688716      4.025262
  O      -4.897965     -0.117463      4.330037
  C      -2.512285     -0.213417      4.515244
  C      -2.907948     -2.927809      3.355392
  C      -4.011817     12.640451      2.254534
  C      -3.396039     11.305999      2.611325
  O      -2.185357     11.125915      2.531023
  C      -4.302974     10.206009      3.072292
  C      -5.688687     10.384868      3.226400
  C      -6.491967      9.336886      3.664496
  C      -5.899499      8.113451      3.958853
  F      -6.713740      7.114270      4.375785
  C      -4.523369      7.883165      3.816254
  C      -3.816407      6.587369      4.129031
  O      -2.731161      6.353864      3.620680
  C      -4.456169      5.630819      5.142875
  C      -3.747711      8.954778      3.360674
  C      -7.325374     -5.796613      4.082718
  C      -6.572363     -4.742262      4.863664
  O      -5.449750     -4.971306      5.305778
  C      -7.224612     -3.412357      5.072296
  C      -8.484504     -3.095259      4.533647
  C      -9.029649     -1.828245      4.713329
  C      -8.297821     -0.874060      5.413499
  F      -8.847934      0.354745      5.557298
  C      -7.043098     -1.142412      5.973071
  C      -6.143529     -0.143626      6.648876
  O      -5.275496     -0.550545      7.410391
  C      -6.297010      1.351692      6.331856
  C      -6.537780     -2.434952      5.798119
  H      -1.322388     -7.239906      2.937887
  H      -3.087197     -7.000036      3.171022
  H      -2.364709     -6.734791      1.570194
  H      -4.286099     -5.482041      1.568434
  H      -6.057451     -3.755421      1.255913
  H      -1.761162     -0.321491      3.706222
  H      -2.224519     -0.977881      5.271098
  H      -2.013579     -2.726179      3.945036
  H      -4.522739     13.076023      3.126868
  H      -4.765582     12.525841      1.461002
  H      -3.223600     13.321042      1.916440
  H      -6.153476     11.345812      3.005892
  H      -7.569863      9.450239      3.780771
  H      -4.853497      6.231634      5.983193
  H      -5.322885      5.172466      4.641097
  H      -2.675039      8.804216      3.230735
  H      -8.281008     -6.037555      4.572333
  H      -6.709608     -6.699919      4.018168
  H      -7.560529     -5.440001      3.068486
  H      -9.046820     -3.833705      3.962150
  H     -10.006384     -1.560563      4.310288
  H      -7.121117      1.720477      6.979061
  H      -6.619458      1.471391      5.291684
  H      -5.558069     -2.670351      6.215165
  N      -4.594117      2.568657      3.697546
87
Coordinates from ORCA-job orca E -6506.295064883928
  N      -2.458551      1.125230      5.181023
  Mo     -3.819462      2.659566      5.230508
  N      -5.109863      2.073302      6.609958
  C      -4.702659      2.236006      8.006580
  C      -3.215697      1.950361      8.217242
  N      -2.417394      2.814556      7.341030
  C      -1.114437      2.317324      6.916213
  C      -1.260001      1.093256      6.023405
  C      -2.371179      4.223920      7.761992
  C      -2.522621      5.099321      6.521782
  N      -3.614780      4.600294      5.684265
  H      -0.350989      1.009343      5.395580
  H      -1.278633      0.173851      6.645626
  H      -0.639633      3.129894      6.344437
  H      -0.447437      2.088979      7.772200
  H      -2.714455      6.146845      6.811523
  H      -1.574296      5.107650      5.955779
  H      -3.193354      4.415145      8.463950
  H      -1.422827      4.450057      8.286140
  H      -5.273542      1.551009      8.649212
  H      -4.934383      3.268595      8.337261
  H      -3.023991      0.904351      7.945545
  H      -2.947302      2.088839      9.283831
  C      -2.222702     -6.539533      2.501334
  C      -1.955748     -5.107152      2.901364
  O      -0.899252     -4.779266      3.433663
  C      -3.038309     -4.101672      2.671465
  C      -4.181314     -4.380538      1.907603
  C      -5.177977     -3.422284      1.757425
  C      -5.053423     -2.202569      2.413596
  F      -6.053828     -1.317917      2.258034
  C      -3.927317     -1.880016      3.198372
  C      -3.878271     -0.627224      4.016355
  O      -4.914589     -0.083582      4.359933
  C      -2.518364     -0.147456      4.484893
  C      -2.919039     -2.846675      3.279206
  C      -3.921134     12.582398      2.149521
  C      -3.322800     11.257356      2.565760
  O      -2.109565     11.077187      2.543759
  C      -4.248678     10.167119      3.011664
  C      -5.639761     10.347652      3.101067
  C      -6.460687      9.309827      3.530345
  C      -5.881140      8.094750      3.879724
  F      -6.712825      7.106307      4.287050
  C      -4.499707      7.862121      3.801022
  C      -3.803714      6.575182      4.166559
  O      -2.693171      6.342343      3.715142
  C      -4.481794      5.624493      5.159014
  C      -3.705822      8.923977      3.353346
  C      -7.281737     -5.858481      4.168456
  C      -6.531788     -4.794222      4.938996
  O      -5.403439     -5.012107      5.372557
  C      -7.195412     -3.469888      5.148677
  C      -8.462796     -3.166681      4.618637
  C      -9.017599     -1.903574      4.796561
  C      -8.289011     -0.939378      5.486483
  F      -8.849816      0.285286      5.629458
  C      -7.028356     -1.193847      6.038001
  C      -6.134176     -0.184410      6.707616
  O      -5.258111     -0.580236      7.465219
  C      -6.312677      1.310584      6.397205
  C      -6.512341     -2.482680      5.865149
  H      -1.362852     -7.158351      2.778459
  H      -3.127499     -6.907285      3.010694
  H      -2.398967     -6.622256      1.418066
  H      -4.301284     -5.349489      1.422971
  H      -6.066281     -3.607442      1.152956
  H      -1.793120     -0.212408      3.647437
  H      -2.196016     -0.942201      5.194681
  H      -2.025796     -2.664738      3.876962
  H      -4.471674     13.039346      2.986306
  H      -4.637862     12.449295      1.324966
  H      -3.117220     13.254668      1.832053
  H      -6.093261     11.303035      2.836532
  H      -7.542725      9.424130      3.598169
  H      -4.916765      6.236656      5.974555
  H      -5.331377      5.162615      4.634288
  H      -2.628400      8.772011      3.273420
  H      -8.231781     -6.105633      4.666497
  H      -6.658768     -6.756753      4.101595
  H      -7.528908     -5.507264      3.155240
  H      -9.022950     -3.913626      4.055914
  H      -9.999941     -1.646596      4.399844
  H      -7.141121      1.666338      7.046104
  H      -6.644112      1.426839      5.359107
  H      -5.526974     -2.706751      6.274938
  N      -4.658663      2.580742      3.788705
87
Coordinates from ORCA-job orca E -6506.297643222708
  N      -2.475768      1.144729      5.223663
  Mo     -3.860615      2.648518      5.341637
  N      -5.120584      2.042427      6.740785
  C      -4.687053      2.196876      8.129340
  C      -3.192243      1.927154      8.299930
  N      -2.427712      2.808702      7.410585
  C      -1.127918      2.329942      6.954837
  C      -1.273961      1.112002      6.053301
  C      -2.393917      4.218191      7.832652
  C      -2.562655      5.095883      6.595972
  N      -3.652768      4.591834      5.763995
  H      -0.365988      1.043032      5.421624
  H      -1.278503      0.187337      6.668364
  H      -0.669181      3.152729      6.385154
  H      -0.442545      2.096343      7.794998
  H      -2.759282      6.142196      6.889923
  H      -1.617771      5.116625      6.023657
  H      -3.215633      4.397907      8.537676
  H      -1.447880      4.454677      8.355882
  H      -5.233031      1.500328      8.781586
  H      -4.918408      3.224289      8.475295
  H      -2.993702      0.885212      8.019055
  H      -2.904470      2.061163      9.363029
  C      -2.141729     -6.444108      2.380600
  C      -1.911931     -5.012808      2.808224
  O      -0.845132     -4.660540      3.303400
  C      -3.035027     -4.038795      2.645039
  C      -4.200621     -4.338097      1.923761
  C      -5.228367     -3.404809      1.832361
  C      -5.108559     -2.191516      2.501889
  F      -6.136024     -1.330393      2.397660
  C      -3.961467     -1.849983      3.246592
  C      -3.914726     -0.609065      4.084488
  O      -4.950189     -0.101020      4.481968
  C      -2.542929     -0.104017      4.495113
  C      -2.927089     -2.792106      3.272142
  C      -3.869984     12.466321      1.971744
  C      -3.285388     11.155656      2.448411
  O      -2.072735     10.969155      2.450462
  C      -4.223170     10.086803      2.920438
  C      -5.614485     10.276855      2.982686
  C      -6.446139      9.259804      3.439709
  C      -5.877998      8.055756      3.842283
  F      -6.721338      7.089611      4.277014
  C      -4.496431      7.813013      3.791270
  C      -3.809416      6.537176      4.205818
  O      -2.688833      6.293439      3.783376
  C      -4.505917      5.605727      5.200409
  C      -3.691607      8.855068      3.316116
  C      -7.269948     -5.760555      3.966286
  C      -6.515777     -4.733182      4.781767
  O      -5.374409     -4.958978      5.175065
  C      -7.192703     -3.435652      5.089171
  C      -8.478396     -3.121022      4.611793
  C      -9.043644     -1.878236      4.877200
  C      -8.307655     -0.944556      5.600370
  F      -8.879155      0.262993      5.826145
  C      -7.029630     -1.212546      6.103305
  C      -6.127749     -0.226997      6.798342
  O      -5.221980     -0.645842      7.506610
  C      -6.322529      1.276349      6.542834
  C      -6.503063     -2.482396      5.844297
  H      -1.248414     -7.036289      2.604921
  H      -3.010675     -6.862797      2.911675
  H      -2.359219     -6.505933      1.303153
  H      -4.312663     -5.301074      1.425521
  H      -6.135408     -3.603435      1.260618
  H      -1.863149     -0.131545      3.618234
  H      -2.166665     -0.914006      5.160466
  H      -2.014536     -2.595228      3.835122
  H      -4.431712     12.958637      2.780701
  H      -4.574175     12.305488      1.141197
  H      -3.056931     13.121582      1.642001
  H      -6.058002     11.224158      2.675134
  H      -7.528495      9.381116      3.489049
  H      -4.954688      6.238074      5.995379
  H      -5.352418      5.139607      4.676241
  H      -2.613936      8.695262      3.257510
  H      -8.204663     -6.051514      4.469958
  H      -6.637039     -6.643883      3.829552
  H      -7.546673     -5.351075      2.982917
  H      -9.044309     -3.842981      4.022729
  H     -10.039667     -1.612642      4.522129
  H      -7.137590      1.611677      7.219010
  H      -6.684124      1.415274      5.517559
  H      -5.502892     -2.714664      6.211687
  N      -4.756494      2.559358      3.934213
87
Coordinates from ORCA-job orca E -6506.300238703546
  N      -2.512277      1.188649      5.237650
  Mo     -3.921985      2.656496      5.418996
  N      -5.157761      2.012760      6.823617
  C      -4.715291      2.151371      8.213645
  C      -3.214187      1.901458      8.362101
  N      -2.475626      2.805379      7.471826
  C      -1.174642      2.349030      6.995743
  C      -1.313287      1.144910      6.072191
  C      -2.461175      4.210582      7.906548
  C      -2.634151      5.103748      6.681062
  N      -3.715204      4.599397      5.835525
  H      -0.402190      1.093635      5.443245
  H      -1.313931      0.208695      6.669509
  H      -0.728380      3.185977      6.437133
  H      -0.480414      2.107338      7.826204
  H      -2.843194      6.143104      6.990816
  H      -1.687459      5.145683      6.113068
  H      -3.290416      4.369722      8.607687
  H      -1.522471      4.455205      8.439290
  H      -5.244421      1.437218      8.860286
  H      -4.958794      3.169197      8.578423
  H      -3.004340      0.866455      8.063981
  H      -2.912587      2.024559      9.422560
  C      -2.146051     -6.345192      2.229423
  C      -1.916055     -4.921659      2.680895
  O      -0.844921     -4.574440      3.169999
  C      -3.044544     -3.949679      2.547612
  C      -4.215510     -4.240385      1.831581
  C      -5.250404     -3.312835      1.772430
  C      -5.131905     -2.115495      2.469878
  F      -6.166543     -1.258824      2.398912
  C      -3.979243     -1.782943      3.209614
  C      -3.937629     -0.564930      4.081659
  O      -4.975158     -0.098885      4.522155
  C      -2.566388     -0.033891      4.464881
  C      -2.937672     -2.717088      3.201916
  C      -3.765470     12.383696      1.823235
  C      -3.200790     11.086368      2.357035
  O      -1.990189     10.890430      2.388598
  C      -4.156344     10.042464      2.848630
  C      -5.546851     10.246467      2.879386
  C      -6.395359      9.253417      3.357195
  C      -5.845572      8.059009      3.810853
  F      -6.705196      7.116937      4.265779
  C      -4.465985      7.802588      3.792361
  C      -3.799240      6.533658      4.257918
  O      -2.669212      6.271293      3.871665
  C      -4.538041      5.620979      5.238025
  C      -3.643443      8.820950      3.296377
  C      -7.208450     -5.795966      3.993162
  C      -6.463228     -4.767298      4.815054
  O      -5.312897     -4.977511      5.190344
  C      -7.157680     -3.483458      5.141952
  C      -8.453149     -3.186119      4.680816
  C      -9.036131     -1.955138      4.961935
  C      -8.308038     -1.015188      5.684833
  F      -8.896658      0.181123      5.925015
  C      -7.020724     -1.266212      6.172591
  C      -6.128732     -0.271950      6.867584
  O      -5.209074     -0.682388      7.562732
  C      -6.349586      1.230067      6.627370
  C      -6.476000     -2.525035      5.897752
  H      -1.248227     -6.938234      2.431987
  H      -3.007656     -6.776487      2.762373
  H      -2.376043     -6.387682      1.153700
  H      -4.326472     -5.192710      1.313316
  H      -6.162217     -3.504457      1.206210
  H      -1.917878     -0.010924      3.564750
  H      -2.144676     -0.855935      5.086675
  H      -2.021113     -2.528341      3.760885
  H      -4.338624     12.908720      2.602901
  H      -4.454760     12.198629      0.985460
  H      -2.941008     13.020725      1.486513
  H      -5.976215     11.185889      2.530865
  H      -7.477072      9.385641      3.384049
  H      -5.001142      6.266620      6.013535
  H      -5.376750      5.162334      4.694639
  H      -2.566652      8.649502      3.262618
  H      -8.133116     -6.109025      4.501434
  H      -6.562699     -6.666701      3.838007
  H      -7.501459     -5.376944      3.018579
  H      -9.013301     -3.912683      4.092188
  H     -10.039859     -1.703383      4.619240
  H      -7.163551      1.546197      7.313862
  H      -6.722536      1.373753      5.606680
  H      -5.468525     -2.743618      6.253118
  N      -4.850191      2.569380      4.031927
87
Coordinates from ORCA-job orca E -6506.302659764191
  N      -2.561312      1.238945      5.241760
  Mo     -3.997283      2.662800      5.488684
  N      -5.199441      1.978962      6.906315
  C      -4.742811      2.102870      8.295374
  C      -3.234963      1.881283      8.416771
  N      -2.530621      2.807365      7.520632
  C      -1.228836      2.378698      7.019328
  C      -1.359810      1.188936      6.075914
  C      -2.538170      4.208387      7.965747
  C      -2.721160      5.115208      6.752096
  N      -3.795237      4.608471      5.895588
  H      -0.450057      1.156822      5.444295
  H      -1.351868      0.242361      6.656192
  H      -0.802839      3.231189      6.468524
  H      -0.521060      2.133862      7.836989
  H      -2.945462      6.145879      7.079708
  H      -1.775669      5.180835      6.184961
  H      -3.373418      4.345589      8.664721
  H      -1.605545      4.464504      8.504399
  H      -5.249682      1.368523      8.936786
  H      -5.003742      3.108609      8.680298
  H      -3.011234      0.853927      8.101832
  H      -2.913385      1.998334      9.471439
  C      -2.120781     -6.242718      2.089792
  C      -1.901853     -4.822798      2.557212
  O      -0.825504     -4.465900      3.027481
  C      -3.048559     -3.867266      2.465325
  C      -4.231273     -4.166029      1.772517
  C      -5.282723     -3.255737      1.752539
  C      -5.167693     -2.068538      2.467307
  F      -6.217820     -1.227919      2.436372
  C      -4.003470     -1.728950      3.185657
  C      -3.965321     -0.528611      4.082534
  O      -5.002324     -0.108331      4.567924
  C      -2.598529      0.040399      4.428567
  C      -2.946302     -2.643981      3.137802
  C      -3.626512     12.298599      1.691618
  C      -3.095135     11.006680      2.270944
  O      -1.889531     10.786383      2.322794
  C      -4.078283      9.998996      2.783507
  C      -5.464533     10.233257      2.792593
  C      -6.338629      9.273296      3.291054
  C      -5.819644      8.081445      3.786439
  F      -6.704918      7.173277      4.260678
  C      -4.445928      7.795218      3.790489
  C      -3.811064      6.524357      4.294500
  O      -2.674899      6.240034      3.942031
  C      -4.587592      5.639632      5.269993
  C      -3.596961      8.781222      3.273650
  C      -7.148445     -5.823442      3.993156
  C      -6.406984     -4.793414      4.816793
  O      -5.244332     -4.985056      5.162887
  C      -7.121775     -3.530638      5.181086
  C      -8.432396     -3.254157      4.751149
  C      -9.035348     -2.040184      5.062051
  C      -8.312371     -1.095514      5.783893
  F      -8.920162      0.085118      6.051029
  C      -7.010910     -1.326775      6.243287
  C      -6.126207     -0.323551      6.933959
  O      -5.188916     -0.723969      7.611376
  C      -6.379517      1.176322      6.716062
  C      -6.445631     -2.569639      5.938656
  H      -1.209497     -6.824668      2.262255
  H      -2.962897     -6.694512      2.636841
  H      -2.375395     -6.272473      1.019354
  H      -4.338680     -5.111789      1.241657
  H      -6.204289     -3.453674      1.204713
  H      -1.990974      0.118408      3.503846
  H      -2.121016     -0.784082      5.003168
  H      -2.019931     -2.450041      3.678593
  H      -4.197563     12.858597      2.448041
  H      -4.309632     12.101899      0.851492
  H      -2.785327     12.908266      1.345770
  H      -5.870712     11.170031      2.410981
  H      -7.417465      9.429004      3.302491
  H      -5.055916      6.301174      6.027839
  H      -5.421562      5.187958      4.712597
  H      -2.523954      8.585189      3.256769
  H      -8.055011     -6.164426      4.515492
  H      -6.488507     -6.677612      3.808779
  H      -7.470899     -5.393167      3.032890
  H      -8.989116     -3.983406      4.162701
  H     -10.050566     -1.804676      4.742615
  H      -7.188980      1.467361      7.418549
  H      -6.768658      1.327789      5.702188
  H      -5.426627     -2.771285      6.270160
  N      -4.954434      2.574427      4.120935
87
Coordinates from ORCA-job orca E -6506.304097875315
  N      -2.579523      1.290401      5.301386
  Mo     -4.053828      2.659628      5.614261
  N      -5.229841      1.922969      7.046546
  C      -4.761090      2.040958      8.437794
  C      -3.240225      1.868524      8.526829
  N      -2.576112      2.823658      7.617259
  C      -1.268937      2.431805      7.094977
  C      -1.378934      1.248677      6.138206
  C      -2.614968      4.227259      8.062457
  C      -2.811824      5.136206      6.848659
  N      -3.876704      4.612821      5.989521
  H      -0.463329      1.249096      5.510123
  H      -1.352388      0.294546      6.704074
  H      -0.865236      3.301229      6.551947
  H      -0.549933      2.193552      7.899618
  H      -3.054731      6.161901      7.180829
  H      -1.863844      5.222763      6.283238
  H      -3.457904      4.342109      8.758938
  H      -1.688697      4.502054      8.604606
  H      -5.236097      1.279771      9.080732
  H      -5.047045      3.033671      8.839116
  H      -2.989728      0.851462      8.200010
  H      -2.900141      1.986750      9.573508
  C      -2.125687     -6.108727      1.881561
  C      -1.910783     -4.703151      2.402184
  O      -0.828349     -4.348476      2.859889
  C      -3.063254     -3.755397      2.367778
  C      -4.256872     -4.042497      1.690142
  C      -5.309960     -3.142738      1.717578
  C      -5.181701     -1.976175      2.460916
  F      -6.227967     -1.140853      2.467414
  C      -4.008386     -1.649087      3.167985
  C      -3.960024     -0.476436      4.100898
  O      -4.978361     -0.094242      4.620737
  C      -2.603316      0.120340      4.432844
  C      -2.953053     -2.553414      3.076601
  C      -3.497512     12.138614      1.475175
  C      -3.000890     10.864923      2.133771
  O      -1.800392     10.629527      2.224170
  C      -4.011954      9.894752      2.675336
  C      -5.393973     10.149411      2.640988
  C      -6.295435      9.224884      3.169833
  C      -5.806922      8.047681      3.737852
  F      -6.716786      7.172342      4.240071
  C      -4.441101      7.741513      3.786101
  C      -3.838663      6.480692      4.358184
  O      -2.703408      6.166323      4.042038
  C      -4.644219      5.634459      5.331323
  C      -3.562477      8.691790      3.237904
  C      -7.103568     -5.804898      3.903639
  C      -6.364637     -4.792487      4.749554
  O      -5.187187     -4.970110      5.047086
  C      -7.094948     -3.557434      5.186454
  C      -8.423918     -3.289150      4.813440
  C      -9.045350     -2.097618      5.195145
  C      -8.321654     -1.165833      5.930589
  F      -8.951000     -0.004886      6.271240
  C      -7.001175     -1.391303      6.332924
  C      -6.113891     -0.396757      7.033673
  O      -5.145988     -0.809388      7.666663
  C      -6.399498      1.103894      6.862534
  C      -6.416680     -2.611927      5.958656
  H      -1.205826     -6.685687      2.010762
  H      -2.950934     -6.592580      2.425054
  H      -2.402146     -6.103210      0.815354
  H      -4.371228     -4.971438      1.133182
  H      -6.240080     -3.332227      1.182034
  H      -2.032130      0.254966      3.485061
  H      -2.081264     -0.717025      4.951291
  H      -2.019046     -2.367338      3.605469
  H      -4.079262     12.743763      2.188890
  H      -4.162043     11.913471      0.628756
  H      -2.638265     12.719902      1.117368
  H      -5.775711     11.074546      2.200971
  H      -7.371438      9.396623      3.148982
  H      -5.124432      6.326269      6.058015
  H      -5.465158      5.177743      4.772941
  H      -2.493019      8.479116      3.254357
  H      -7.986916     -6.191528      4.436792
  H      -6.430401     -6.636333      3.664354
  H      -7.461375     -5.338613      2.971650
  H      -8.981974     -4.007919      4.216375
  H     -10.075673     -1.868981      4.922057
  H      -7.204136      1.363830      7.585526
  H      -6.814085      1.268011      5.857977
  H      -5.382354     -2.806263      6.244472
  N      -5.029096      2.628706      4.282577
87
Coordinates from ORCA-job orca E -6506.306213534474
  N      -2.608629      1.329099      5.315184
  Mo     -4.114185      2.653626      5.691970
  N      -5.256391      1.883943      7.141406
  C      -4.766020      1.996703      8.526164
  C      -3.247022      1.860066      8.594620
  N      -2.619921      2.829743      7.676173
  C      -1.311477      2.456656      7.126191
  C      -1.406138      1.284657      6.150952
  C      -2.664715      4.230441      8.116502
  C      -2.863294      5.127675      6.902012
  N      -3.926835      4.605520      6.039542
  H      -0.493804      1.303689      5.514137
  H      -1.367813      0.318741      6.703180
  H      -0.932750      3.339026      6.578493
  H      -0.574498      2.220459      7.922145
  H      -3.109566      6.147386      7.236167
  H      -1.921700      5.215974      6.338341
  H      -3.506392      4.345393      8.810857
  H      -1.738602      4.514954      8.656430
  H      -5.219627      1.227432      9.168045
  H      -5.066861      2.977089      8.939358
  H      -2.982212      0.850270      8.255791
  H      -2.890368      1.980980      9.636324
  C      -2.060340     -6.040069      1.753032
  C      -1.857488     -4.636058      2.293690
  O      -0.775746     -4.269914      2.748621
  C      -3.029718     -3.700089      2.297744
  C      -4.228722     -3.992418      1.631143
  C      -5.301137     -3.104920      1.692292
  C      -5.182926     -1.944598      2.455672
  F      -6.246804     -1.120975      2.494383
  C      -4.002302     -1.612447      3.150470
  C      -3.959760     -0.451978      4.105232
  O      -4.993730     -0.116495      4.678301
  C      -2.612087      0.183501      4.413567
  C      -2.932796     -2.503792      3.031093
  C      -3.434234     12.031626      1.362490
  C      -2.942898     10.777315      2.053843
  O      -1.742534     10.536811      2.155940
  C      -3.963764      9.831828      2.613205
  C      -5.346669     10.097831      2.563416
  C      -6.257129      9.198365      3.111300
  C      -5.780501      8.034417      3.710381
  F      -6.701593      7.183135      4.228092
  C      -4.415001      7.716608      3.776384
  C      -3.832942      6.461205      4.386103
  O      -2.683062      6.128756      4.087023
  C      -4.669293      5.638648      5.363401
  C      -3.525455      8.642616      3.208746
  C      -7.120588     -5.766369      3.861497
  C      -6.374136     -4.767993      4.713221
  O      -5.191558     -4.937658      4.983206
  C      -7.105675     -3.554227      5.196506
  C      -8.444435     -3.292324      4.864874
  C      -9.067247     -2.119531      5.290853
  C      -8.337417     -1.200299      6.034982
  F      -8.968596     -0.055593      6.424492
  C      -7.008459     -1.421165      6.399000
  C      -6.121012     -0.434516      7.103801
  O      -5.148185     -0.840943      7.717710
  C      -6.420256      1.056577      6.963279
  C      -6.418927     -2.622114      5.973998
  H      -1.127999     -6.605156      1.857029
  H      -2.872921     -6.548669      2.301934
  H      -2.352668     -6.021164      0.692585
  H      -4.333895     -4.916611      1.056612
  H      -6.236975     -3.299893      1.166713
  H      -2.079064      0.370752      3.457241
  H      -2.045655     -0.647294      4.889329
  H      -2.001487     -2.314621      3.562000
  H      -4.017487     12.656501      2.054720
  H      -4.097254     11.785617      0.519009
  H      -2.571952     12.597988      0.997728
  H      -5.721675     11.011745      2.097783
  H      -7.334085      9.378238      3.079477
  H      -5.148016      6.340639      6.076749
  H      -5.487398      5.184348      4.787886
  H      -2.456257      8.420366      3.237751
  H      -7.987139     -6.174113      4.404167
  H      -6.445089     -6.581927      3.593364
  H      -7.502809     -5.284426      2.946115
  H      -9.008530     -4.001496      4.262384
  H     -10.104197     -1.895816      5.048041
  H      -7.213941      1.295563      7.701372
  H      -6.848852      1.230793      5.971578
  H      -5.374404     -2.809804      6.220812
  N      -5.166298      2.703932      4.360424
87
Coordinates from ORCA-job orca E -6506.300596818821
  N      -2.636026      1.322203      5.315957
  Mo     -4.125802      2.640181      5.706475
  N      -5.259586      1.896474      7.143773
  C      -4.777757      2.008468      8.521387
  C      -3.269290      1.865094      8.600182
  N      -2.639216      2.820883      7.690589
  C      -1.344956      2.431918      7.146857
  C      -1.448387      1.263195      6.162318
  C      -2.665189      4.219439      8.126141
  C      -2.834750      5.110913      6.911595
  N      -3.895240      4.596032      6.035829
  H      -0.535537      1.275107      5.541660
  H      -1.429732      0.294275      6.705376
  H      -0.957993      3.307923      6.609801
  H      -0.617592      2.188313      7.944125
  H      -3.073969      6.131334      7.249082
  H      -1.890937      5.192303      6.357510
  H      -3.510007      4.349079      8.805318
  H      -1.745105      4.498685      8.677158
  H      -5.237337      1.242226      9.150640
  H      -5.075407      2.989206      8.936657
  H      -3.016710      0.853211      8.261665
  H      -2.909020      1.989365      9.638260
  C      -2.074585     -5.971362      1.734765
  C      -1.859991     -4.586277      2.257058
  O      -0.773548     -4.221413      2.676625
  C      -3.031809     -3.669603      2.281688
  C      -4.236422     -3.974067      1.637776
  C      -5.312034     -3.102033      1.713509
  C      -5.192808     -1.944769      2.470650
  F      -6.266384     -1.137879      2.530032
  C      -4.006075     -1.602040      3.145513
  C      -3.963894     -0.447580      4.100621
  O      -4.996896     -0.134959      4.691397
  C      -2.625836      0.198074      4.400166
  C      -2.931850     -2.478983      3.009434
  C      -3.483751     11.969244      1.384751
  C      -2.973903     10.740962      2.063168
  O      -1.781980     10.523243      2.156766
  C      -3.963958      9.794340      2.614950
  C      -5.336481     10.038723      2.568749
  C      -6.216627      9.141772      3.110116
  C      -5.721310      8.002718      3.698633
  F      -6.615170      7.154770      4.213994
  C      -4.361545      7.706529      3.761731
  C      -3.772039      6.470450      4.362291
  O      -2.653210      6.150147      4.082139
  C      -4.620879      5.647202      5.328632
  C      -3.505898      8.629596      3.200245
  C      -7.113748     -5.736829      3.910578
  C      -6.360548     -4.727989      4.750027
  O      -5.169433     -4.876310      5.040672
  C      -7.095805     -3.532146      5.206432
  C      -8.441279     -3.291723      4.848480
  C      -9.059166     -2.135289      5.242914
  C      -8.324272     -1.212335      5.989146
  F      -8.949997     -0.084863      6.341108
  C      -6.991083     -1.411452      6.383505
  C      -6.105150     -0.420440      7.097531
  O      -5.119979     -0.818483      7.738407
  C      -6.419026      1.072173      6.952810
  C      -6.402624     -2.595597      5.982267
  H      -1.142989     -6.524663      1.816557
  H      -2.858056     -6.476897      2.303465
  H      -2.400295     -5.950736      0.688120
  H      -4.343746     -4.895072      1.068966
  H      -6.251729     -3.306632      1.204453
  H      -2.104505      0.404426      3.450850
  H      -2.046528     -0.624493      4.857420
  H      -2.000079     -2.281194      3.530297
  H      -4.069354     12.580373      2.071467
  H      -4.146331     11.706365      0.543851
  H      -2.635505     12.544534      1.029290
  H      -5.724560     10.933901      2.112007
  H      -7.285306      9.303478      3.082303
  H      -5.102043      6.344919      6.039990
  H      -5.445584      5.201164      4.734162
  H      -2.443693      8.425316      3.227888
  H      -7.982975     -6.136288      4.447697
  H      -6.430096     -6.538525      3.661103
  H      -7.503677     -5.285994      2.990957
  H      -9.009930     -4.005002      4.243261
  H     -10.098051     -1.925906      4.974916
  H      -7.218115      1.309759      7.679837
  H      -6.833947      1.243863      5.958642
  H      -5.351300     -2.766762      6.243376
  N      -5.175053      2.696485      4.397266
87
Coordinates from ORCA-job orca E -6506.304168384119
  N      -2.687998      1.330161      5.343143
  Mo     -4.170950      2.644032      5.759300
  N      -5.296503      1.907247      7.200232
  C      -4.819683      2.010339      8.579714
  C      -3.306305      1.853027      8.651613
  N      -2.679413      2.808442      7.740231
  C      -1.387472      2.414466      7.189442
  C      -1.503233      1.250396      6.196159
  C      -2.707544      4.205532      8.188660
  C      -2.867869      5.111338      6.977914
  N      -3.919414      4.597232      6.089767
  H      -0.586994      1.257375      5.582285
  H      -1.496577      0.280285      6.733771
  H      -0.995902      3.287469      6.659864
  H      -0.659956      2.159861      7.984512
  H      -3.111650      6.131821      7.320853
  H      -1.918181      5.199233      6.428871
  H      -3.558779      4.327582      8.863409
  H      -1.794818      4.478630      8.749685
  H      -5.280589      1.238611      9.205005
  H      -5.115292      2.993641      9.002956
  H      -3.056357      0.840156      8.305852
  H      -2.936885      1.969959      9.690926
  C      -2.089429     -5.894847      1.583453
  C      -1.883319     -4.515445      2.142754
  O      -0.782368     -4.162729      2.545365
  C      -3.073106     -3.598822      2.210821
  C      -4.292770     -3.890592      1.581842
  C      -5.383637     -3.019956      1.695281
  C      -5.264902     -1.877342      2.476291
  F      -6.351692     -1.069709      2.571309
  C      -4.066712     -1.548981      3.141868
  C      -4.028975     -0.412991      4.123820
  O      -5.038728     -0.103363      4.724688
  C      -2.686231      0.224551      4.406823
  C      -2.973857     -2.424200      2.963393
  C      -3.357747     11.929542      1.253985
  C      -2.875136     10.692751      1.974146
  O      -1.659387     10.458293      2.080339
  C      -3.907600      9.762847      2.552441
  C      -5.302866     10.023416      2.495915
  C      -6.227531      9.136810      3.055554
  C      -5.747829      7.992767      3.676294
  F      -6.681366      7.157288      4.207812
  C      -4.361413      7.683405      3.753893
  C      -3.769323      6.450333      4.384101
  O      -2.620871      6.121624      4.118358
  C      -4.636031      5.643274      5.357161
  C      -3.465687      8.595159      3.172404
  C      -6.947544     -5.780354      3.905252
  C      -6.238141     -4.746788      4.758194
  O      -5.043180     -4.864760      5.034177
  C      -7.021602     -3.564226      5.242904
  C      -8.375053     -3.357090      4.905233
  C      -9.034099     -2.209667      5.324930
  C      -8.329497     -1.263798      6.069067
  F      -8.989779     -0.149296      6.438393
  C      -6.988724     -1.428857      6.441705
  C      -6.123801     -0.415523      7.146857
  O      -5.143877     -0.800225      7.762256
  C      -6.457464      1.086128      7.008380
  C      -6.362984     -2.604111      6.022961
  H      -1.141130     -6.454182      1.628673
  H      -2.865185     -6.421395      2.165856
  H      -2.433513     -5.841410      0.533525
  H      -4.400017     -4.800047      0.995564
  H      -6.334541     -3.215514      1.198135
  H      -2.182952      0.451536      3.449954
  H      -2.092192     -0.603704      4.838680
  H      -2.025612     -2.235829      3.469401
  H      -3.943973     12.576636      1.939067
  H      -4.026892     11.657746      0.410017
  H      -2.482485     12.487459      0.876026
  H      -5.676293     10.922201      2.013929
  H      -7.312070      9.312382      3.020681
  H      -5.126591      6.352242      6.058141
  H      -5.454433      5.191950      4.761967
  H      -2.387519      8.377750      3.207632
  H      -7.804136     -6.228618      4.439158
  H      -6.228627     -6.568006      3.630218
  H      -7.347843     -5.315292      3.001995
  H      -8.918482     -4.087613      4.299934
  H     -10.080044     -2.025555      5.074498
  H      -7.258301      1.316749      7.745703
  H      -6.881543      1.265172      6.009416
  H      -5.307752     -2.748866      6.269732
  N      -5.175243      2.670624      4.483285
87
Coordinates from ORCA-job orca E -6506.304436537444
  N      -2.667072      1.364973      5.350440
  Mo     -4.173848      2.650227      5.793065
  N      -5.283551      1.869828      7.257655
  C      -4.786928      1.969724      8.640158
  C      -3.260485      1.842083      8.681051
  N      -2.657967      2.822666      7.754004
  C      -1.355263      2.451447      7.181195
  C      -1.464721      1.293509      6.192289
  C      -2.708819      4.220468      8.205539
  C      -2.902517      5.133464      6.993067
  N      -3.952122      4.603993      6.120132
  H      -0.547868      1.314606      5.562176
  H      -1.437998      0.320775      6.730506
  H      -0.978024      3.335888      6.642272
  H      -0.610337      2.203525      7.967070
  H      -3.166612      6.153169      7.338416
  H      -1.953600      5.241305      6.429898
  H      -3.562376      4.324935      8.894847
  H      -1.792120      4.505900      8.758532
  H      -5.225613      1.180586      9.277172
  H      -5.096941      2.944694      9.075507
  H      -2.991360      0.835001      8.327345
  H      -2.884821      1.959073      9.720105
  C      -2.066119     -5.885307      1.621918
  C      -1.877434     -4.486596      2.187416
  O      -0.777938     -4.113566      2.631866
  C      -3.066176     -3.569482      2.226059
  C      -4.276463     -3.860076      1.571696
  C      -5.351485     -2.986325      1.662019
  C      -5.230432     -1.846339      2.448724
  F      -6.293031     -1.034031      2.514726
  C      -4.045644     -1.519299      3.139764
  C      -4.008119     -0.390223      4.125556
  O      -5.004034     -0.092131      4.721394
  C      -2.664163      0.263266      4.404338
  C      -2.965588     -2.393970      2.980607
  C      -3.338719     11.885769      1.159334
  C      -2.881346     10.644088      1.915280
  O      -1.704465     10.382888      2.032061
  C      -3.915538      9.732569      2.518433
  C      -5.281173     10.017347      2.450749
  C      -6.211733      9.146117      3.034382
  C      -5.761036      7.990101      3.693843
  F      -6.700244      7.171180      4.247533
  C      -4.404904      7.656864      3.781906
  C      -3.826436      6.419500      4.441078
  O      -2.658700      6.078858      4.179645
  C      -4.673327      5.621019      5.416327
  C      -3.501847      8.554257      3.177224
  C      -7.024005     -5.763810      3.785783
  C      -6.297385     -4.765063      4.660836
  O      -5.108469     -4.919293      4.905464
  C      -7.055188     -3.576974      5.199288
  C      -8.401370     -3.335467      4.892114
  C      -9.049872     -2.179984      5.367177
  C      -8.335695     -1.260338      6.130229
  F      -8.988219     -0.135234      6.558522
  C      -6.998000     -1.462086      6.471211
  C      -6.119321     -0.476342      7.187150
  O      -5.139061     -0.885155      7.774649
  C      -6.443355      1.027210      7.078412
  C      -6.386199     -2.645587      6.001277
  H      -1.118724     -6.440623      1.698280
  H      -2.859686     -6.411459      2.180379
  H      -2.382396     -5.850444      0.564239
  H      -4.384089     -4.770130      0.981231
  H      -6.292639     -3.176579      1.142917
  H      -2.174635      0.507351      3.434796
  H      -2.047906     -0.564566      4.826370
  H      -2.020491     -2.210695      3.500158
  H      -3.913078     12.554757      1.812043
  H      -3.990356     11.616332      0.333652
  H      -2.470783     12.423685      0.772011
  H      -5.635911     10.922597      1.938305
  H      -7.278030      9.342110      2.989240
  H      -5.159997      6.329556      6.112817
  H      -5.475747      5.156023      4.841206
  H      -2.442285      8.317433      3.221440
  H      -7.873446     -6.212003      4.326688
  H      -6.326839     -6.559908      3.476573
  H      -7.428711     -5.259037      2.890708
  H      -8.954507     -4.041117      4.273711
  H     -10.093365     -1.973585      5.141794
  H      -7.237030      1.244948      7.832352
  H      -6.882750      1.217533      6.085711
  H      -5.338491     -2.813289      6.231033
  N      -5.254906      2.688687      4.479679
87
Coordinates from ORCA-job orca E -6506.302266393759
  N      -2.678939      1.379160      5.348405
  Mo     -4.199815      2.637173      5.805028
  N      -5.287080      1.851738      7.273343
  C      -4.778200      1.955457      8.646415
  C      -3.258211      1.850445      8.678125
  N      -2.674358      2.832389      7.745860
  C      -1.377869      2.475084      7.171709
  C      -1.482595      1.321127      6.189159
  C      -2.728371      4.226759      8.187300
  C      -2.925141      5.128139      6.974581
  N      -3.973377      4.593132      6.103578
  H      -0.573268      1.349376      5.560341
  H      -1.451868      0.351082      6.722145
  H      -1.012357      3.362696      6.627979
  H      -0.630377      2.238476      7.952132
  H      -3.193535      6.142894      7.316272
  H      -1.981532      5.237059      6.413960
  H      -3.581383      4.333023      8.873382
  H      -1.811797      4.521256      8.739255
  H      -5.202347      1.163186      9.280346
  H      -5.095895      2.919090      9.082392
  H      -2.986252      0.848838      8.325805
  H      -2.873379      1.975444      9.708397
  C      -2.025807     -5.853414      1.591404
  C      -1.839856     -4.462858      2.163267
  O      -0.763685     -4.080964      2.599368
  C      -3.018095     -3.564023      2.211320
  C      -4.216634     -3.872317      1.560953
  C      -5.292133     -3.016849      1.662337
  C      -5.182169     -1.877985      2.454329
  F      -6.250434     -1.084758      2.538211
  C      -4.003593     -1.533160      3.135135
  C      -3.975731     -0.404411      4.124087
  O      -5.017256     -0.144106      4.763179
  C      -2.639517      0.286343      4.393130
  C      -2.926005     -2.387746      2.969952
  C      -3.331424     11.837512      1.177986
  C      -2.856891     10.613601      1.941308
  O      -1.630176     10.368884      2.084890
  C      -3.905521      9.705915      2.525780
  C      -5.288668      9.985750      2.452125
  C      -6.208506      9.125123      3.032553
  C      -5.745928      7.980604      3.685437
  F      -6.680406      7.172399      4.232566
  C      -4.388398      7.645941      3.770731
  C      -3.823407      6.409520      4.421771
  O      -2.702139      6.066687      4.165145
  C      -4.677225      5.616395      5.394892
  C      -3.484973      8.536676      3.174886
  C      -7.110048     -5.698022      3.797228
  C      -6.349637     -4.725861      4.658855
  O      -5.155298     -4.887982      4.880463
  C      -7.087171     -3.554789      5.208993
  C      -8.446201     -3.312479      4.925673
  C      -9.081062     -2.173385      5.407282
  C      -8.343576     -1.269984      6.157104
  F      -8.988538     -0.157396      6.600258
  C      -6.993139     -1.473515      6.478245
  C      -6.110830     -0.492841      7.195078
  O      -5.099374     -0.899468      7.798687
  C      -6.440057      0.996767      7.095482
  C      -6.391239     -2.641859      5.996573
  H      -1.092047     -6.392925      1.658594
  H      -2.803050     -6.394503      2.143339
  H      -2.342610     -5.812804      0.544614
  H      -4.316376     -4.784043      0.966599
  H      -6.228535     -3.219664      1.150872
  H      -2.157530      0.562937      3.419953
  H      -1.990695     -0.534859      4.805833
  H      -1.991879     -2.192490      3.487343
  H      -3.935260     12.506554      1.839498
  H      -3.989981     11.546590      0.318624
  H      -2.440267     12.377726      0.806569
  H      -5.653907     10.883421      1.946581
  H      -7.285386      9.318175      2.987472
  H      -5.153963      6.327942      6.089137
  H      -5.485299      5.158833      4.816218
  H      -2.414715      8.302605      3.222587
  H      -7.946468     -6.136567      4.351554
  H      -6.430885     -6.484239      3.473866
  H      -7.538982     -5.187746      2.912180
  H      -9.019580     -4.005754      4.319008
  H     -10.134895     -1.966828      5.200638
  H      -7.224684      1.200986      7.847971
  H      -6.881137      1.186525      6.114570
  H      -5.333366     -2.810664      6.206984
  N      -5.309797      2.667598      4.492594
87
Coordinates from ORCA-job orca E -6506.304626013463
  N      -2.696814      1.358680      5.368533
  Mo     -4.206176      2.630456      5.816044
  N      -5.305275      1.870987      7.274121
  C      -4.807543      1.973448      8.647024
  C      -3.292028      1.851340      8.696179
  N      -2.696631      2.816091      7.770149
  C      -1.403054      2.444408      7.208448
  C      -1.511806      1.287592      6.222869
  C      -2.741084      4.211522      8.210089
  C      -2.913287      5.109592      6.995018
  N      -3.955619      4.586463      6.106721
  H      -0.595462      1.306434      5.607886
  H      -1.497966      0.318846      6.758642
  H      -1.026799      3.324651      6.671726
  H      -0.665919      2.200916      7.996308
  H      -3.171499      6.125822      7.329277
  H      -1.965164      5.203422      6.449580
  H      -3.595628      4.328424      8.883895
  H      -1.829563      4.493588      8.771426
  H      -5.241465      1.188854      9.274452
  H      -5.118427      2.941774      9.076969
  H      -3.026966      0.846384      8.350369
  H      -2.908484      1.978506      9.725968
  C      -2.034066     -5.829199      1.513851
  C      -1.840190     -4.453438      2.104208
  O      -0.762785     -4.092254      2.521350
  C      -3.028132     -3.550395      2.182725
  C      -4.235016     -3.852542      1.541364
  C      -5.332111     -2.996089      1.664346
  C      -5.228948     -1.857682      2.466438
  F      -6.319969     -1.062802      2.567781
  C      -4.038381     -1.521154      3.139383
  C      -4.004702     -0.397931      4.138164
  O      -5.037099     -0.127361      4.781776
  C      -2.674132      0.276926      4.408404
  C      -2.944789     -2.378214      2.955617
  C      -3.357046     11.809173      1.198159
  C      -2.880127     10.589417      1.920070
  O      -1.697550     10.343512      2.013710
  C      -3.894162      9.684912      2.512846
  C      -5.268747      9.955660      2.460753
  C      -6.171536      9.094868      3.035348
  C      -5.701470      7.965963      3.661765
  F      -6.615618      7.156454      4.206988
  C      -4.345461      7.643599      3.733605
  C      -3.772607      6.416353      4.380156
  O      -2.620065      6.088641      4.115519
  C      -4.651700      5.626811      5.360963
  C      -3.461611      8.531453      3.138899
  C      -7.030526     -5.702223      3.846636
  C      -6.295744     -4.702133      4.706105
  O      -5.098776     -4.833326      4.952022
  C      -7.055967     -3.537313      5.231296
  C      -8.412394     -3.321023      4.929766
  C      -9.055942     -2.191677      5.389873
  C      -8.333759     -1.271463      6.137890
  F      -8.984559     -0.170127      6.559443
  C      -6.990112     -1.447024      6.475588
  C      -6.122611     -0.447867      7.192818
  O      -5.134223     -0.832386      7.789850
  C      -6.458497      1.038634      7.086389
  C      -6.376421     -2.604768      6.015447
  H      -1.090264     -6.372227      1.555821
  H      -2.809315     -6.381026      2.073928
  H      -2.366399     -5.767529      0.469079
  H      -4.329483     -4.760772      0.938077
  H      -6.276144     -3.199596      1.158923
  H      -2.204506      0.549074      3.445374
  H      -2.042364     -0.541321      4.803120
  H      -2.005617     -2.181774      3.467686
  H      -3.923570     12.464293      1.861884
  H      -4.027408     11.531486      0.374760
  H      -2.495213     12.345370      0.812845
  H      -5.638515     10.844638      1.971334
  H      -7.242874      9.277940      3.004100
  H      -5.139572      6.354057      6.049537
  H      -5.469925      5.171652      4.766584
  H      -2.398635      8.307151      3.172001
  H      -7.871078     -6.151622      4.390767
  H      -6.332575     -6.481249      3.542052
  H      -7.451561     -5.216065      2.957709
  H      -8.970964     -4.032667      4.323467
  H     -10.105418     -2.001188      5.171604
  H      -7.247910      1.247159      7.829826
  H      -6.895069      1.226511      6.101502
  H      -5.318797     -2.757449      6.236601
  N      -5.236605      2.672742      4.548186
87
Coordinates from ORCA-job orca E -6506.302680803820
  N      -2.716324      1.381661      5.369952
  Mo     -4.221465      2.635715      5.847324
  N      -5.305903      1.854266      7.319546
  C      -4.806107      1.946887      8.700167
  C      -3.279269      1.832547      8.730135
  N      -2.695913      2.814589      7.800770
  C      -1.394421      2.448156      7.215975
  C      -1.511247      1.290531      6.215027
  C      -2.750130      4.213628      8.252328
  C      -2.928881      5.121345      7.039276
  N      -3.969822      4.590529      6.150880
  H      -0.589806      1.309594      5.585970
  H      -1.494391      0.307503      6.746701
  H      -1.021927      3.335918      6.681863
  H      -0.644511      2.195758      7.997172
  H      -3.198049      6.139065      7.381756
  H      -1.974854      5.229221      6.489271
  H      -3.608895      4.320149      8.928664
  H      -1.840112      4.500508      8.814062
  H      -5.234435      1.149734      9.330348
  H      -5.123428      2.916892      9.147905
  H      -3.005980      0.827227      8.372417
  H      -2.892744      1.952770      9.761962
  C      -2.075903     -5.758782      1.506551
  C      -1.889660     -4.379809      2.094153
  O      -0.779435     -4.009701      2.524199
  C      -3.094722     -3.481034      2.169579
  C      -4.316181     -3.772348      1.530938
  C      -5.413003     -2.912594      1.655620
  C      -5.297169     -1.786083      2.458049
  F      -6.382841     -0.985548      2.558127
  C      -4.098282     -1.461699      3.134348
  C      -4.052408     -0.357126      4.136874
  O      -5.004599     -0.086961      4.743797
  C      -2.722536      0.314167      4.395212
  C      -3.001103     -2.322154      2.942701
  C      -3.273595     11.775860      1.105017
  C      -2.811028     10.564357      1.885143
  O      -1.621238     10.324116      2.031061
  C      -3.859170      9.663362      2.478349
  C      -5.241761      9.938768      2.383658
  C      -6.185787      9.081496      2.962124
  C      -5.737862      7.950896      3.637887
  F      -6.695893      7.142027      4.183971
  C      -4.365946      7.626010      3.748667
  C      -3.797781      6.403561      4.423101
  O      -2.635782      6.062094      4.178022
  C      -4.672800      5.622263      5.399987
  C      -3.450024      8.510017      3.150309
  C      -6.935393     -5.751114      3.803451
  C      -6.225549     -4.740170      4.696199
  O      -5.021483     -4.855931      4.965823
  C      -7.010688     -3.579426      5.229938
  C      -8.368178     -3.370846      4.911827
  C      -9.030984     -2.242592      5.387098
  C      -8.323390     -1.315129      6.162960
  F      -8.988805     -0.218617      6.593287
  C      -6.977251     -1.484109      6.512754
  C      -6.108084     -0.490987      7.242271
  O      -5.121295     -0.888974      7.836657
  C      -6.457294      1.010946      7.138018
  C      -6.349404     -2.640042      6.042386
  H      -1.112790     -6.303938      1.554249
  H      -2.853067     -6.300090      2.069264
  H      -2.414526     -5.704794      0.457710
  H      -4.420271     -4.668560      0.928806
  H      -6.363150     -3.107345      1.149571
  H      -2.281586      0.587355      3.431033
  H      -2.087256     -0.490507      4.768891
  H      -2.048623     -2.135878      3.449325
  H      -3.869326     12.443514      1.742547
  H      -3.921246     11.485745      0.258028
  H      -2.391501     12.309274      0.730304
  H      -5.590625     10.826063      1.857317
  H      -7.261807      9.270140      2.897666
  H      -5.164903      6.352102      6.078873
  H      -5.477956      5.157785      4.806534
  H      -2.382533      8.281282      3.213360
  H      -7.788557     -6.221227      4.333770
  H      -6.215806     -6.524606      3.499718
  H      -7.344769     -5.262228      2.907330
  H      -8.915132     -4.085372      4.284558
  H     -10.081102     -2.058914      5.158202
  H      -7.252416      1.216619      7.893628
  H      -6.900233      1.203368      6.145508
  H      -5.292624     -2.785372      6.279373
  N      -5.295264      2.690998      4.560620
87
Coordinates from ORCA-job orca E -6506.305506056890
  N      -2.712265      1.397918      5.382093
  Mo     -4.241490      2.634849      5.878385
  N      -5.315683      1.840784      7.356894
  C      -4.803983      1.928491      8.729410
  C      -3.281027      1.826813      8.747572
  N      -2.709213      2.815494      7.814906
  C      -1.411762      2.462698      7.228947
  C      -1.519300      1.316407      6.226018
  C      -2.767046      4.208804      8.272657
  C      -2.956783      5.121131      7.064228
  N      -3.995938      4.588936      6.179514
  H      -0.608629      1.346086      5.598102
  H      -1.497226      0.338211      6.746553
  H      -1.048487      3.355812      6.695719
  H      -0.661529      2.212945      8.006393
  H      -3.232176      6.134808      7.412357
  H      -2.008429      5.236853      6.509242
  H      -3.624573      4.309058      8.952635
  H      -1.857233      4.497097      8.834524
  H      -5.218393      1.123586      9.357392
  H      -5.127198      2.889165      9.181804
  H      -3.004568      0.825868      8.386427
  H      -2.887363      1.946734      9.778629
  C      -2.049903     -5.757786      1.482631
  C      -1.869591     -4.378248      2.075983
  O      -0.766419     -4.010190      2.509756
  C      -3.066946     -3.475941      2.156139
  C      -4.287545     -3.758423      1.521494
  C      -5.370115     -2.895630      1.651067
  C      -5.244499     -1.778822      2.454001
  F      -6.314127     -0.975146      2.561721
  C      -4.048682     -1.460430      3.124913
  C      -4.011981     -0.354164      4.133677
  O      -5.032616     -0.104542      4.801103
  C      -2.677124      0.334504      4.389244
  C      -2.963028     -2.321593      2.929849
  C      -3.244290     11.753587      0.986472
  C      -2.815803     10.517849      1.787372
  O      -1.624917     10.233033      1.906726
  C      -3.864803      9.649086      2.435704
  C      -5.226612      9.969916      2.373453
  C      -6.173036      9.136635      3.001660
  C      -5.743771      7.981157      3.697135
  F      -6.702867      7.202587      4.290741
  C      -4.388258      7.611287      3.779993
  C      -3.832496      6.373284      4.468964
  O      -2.704051      6.006801      4.232177
  C      -4.693814      5.605799      5.450268
  C      -3.471787      8.473746      3.132397
  C      -6.966080     -5.730907      3.747281
  C      -6.245195     -4.741396      4.634007
  O      -5.054298     -4.878799      4.863342
  C      -7.021889     -3.582297      5.206475
  C      -8.383718     -3.362797      4.927208
  C      -9.051374     -2.233879      5.438829
  C      -8.341368     -1.317016      6.211095
  F      -9.013172     -0.220311      6.679068
  C      -6.988273     -1.497218      6.525473
  C      -6.122999     -0.509002      7.254014
  O      -5.120280     -0.914430      7.835377
  C      -6.469431      0.991471      7.176031
  C      -6.356590     -2.655445      6.017426
  H      -1.094046     -6.305421      1.530430
  H      -2.822672     -6.305366      2.042321
  H      -2.383813     -5.694330      0.429792
  H      -4.398760     -4.651670      0.917148
  H      -6.319963     -3.079477      1.149525
  H      -2.224076      0.647567      3.412555
  H      -2.008335     -0.492767      4.758133
  H      -2.012680     -2.144186      3.436083
  H      -3.790536     12.464187      1.619282
  H      -3.912040     11.465655      0.184125
  H      -2.367720     12.261071      0.565301
  H      -5.564886     10.873096      1.834373
  H      -7.234043      9.360973      2.964854
  H      -5.173705      6.332688      6.126843
  H      -5.495454      5.143728      4.875679
  H      -2.418446      8.209369      3.172170
  H      -7.800889     -6.206199      4.284770
  H      -6.258655     -6.505754      3.414326
  H      -7.389465     -5.216868      2.872409
  H      -8.934663     -4.066208      4.303355
  H     -10.107283     -2.045670      5.237668
  H      -7.257983      1.184156      7.943063
  H      -6.921377      1.199787      6.193372
  H      -5.297685     -2.806194      6.225527
  N      -5.326770      2.680724      4.592000
87
Coordinates from ORCA-job orca E -6506.306124055689
  N      -2.704033      1.400497      5.387519
  Mo     -4.230847      2.632909      5.868593
  N      -5.304148      1.840488      7.342746
  C      -4.790018      1.937498      8.712905
  C      -3.271403      1.845565      8.739035
  N      -2.704264      2.828319      7.805944
  C      -1.411658      2.477151      7.229561
  C      -1.517081      1.328835      6.239519
  C      -2.770274      4.222337      8.251251
  C      -2.955258      5.128160      7.037717
  N      -3.986699      4.590619      6.147618
  H      -0.602119      1.356195      5.622846
  H      -1.498592      0.357135      6.768179
  H      -1.047757      3.365558      6.695336
  H      -0.666964      2.235717      8.008764
  H      -3.234440      6.142537      7.378111
  H      -2.003709      5.243425      6.490033
  H      -3.632321      4.322680      8.925600
  H      -1.863874      4.515646      8.816791
  H      -5.199971      1.135594      9.339829
  H      -5.115002      2.893627      9.160082
  H      -2.990927      0.846601      8.384952
  H      -2.879053      1.975375      9.766059
  C      -2.044226     -5.752535      1.468596
  C      -1.855244     -4.381668      2.072183
  O      -0.784118     -4.014846      2.496288
  C      -3.034717     -3.488225      2.159637
  C      -4.234941     -3.788720      1.514556
  C      -5.313432     -2.940733      1.642769
  C      -5.204091     -1.814696      2.458952
  F      -6.271449     -1.024298      2.562206
  C      -4.024825     -1.479765      3.139240
  C      -3.992039     -0.369290      4.150770
  O      -5.023468     -0.127036      4.811990
  C      -2.669891      0.337173      4.407241
  C      -2.944866     -2.325349      2.946093
  C      -3.307651     11.704594      1.100645
  C      -2.839984     10.501620      1.871091
  O      -1.630459     10.252840      2.000931
  C      -3.879121      9.615298      2.467706
  C      -5.255164      9.893634      2.390774
  C      -6.171681      9.051060      2.974804
  C      -5.710555      7.929926      3.636654
  F      -6.635004      7.140097      4.189740
  C      -4.355692      7.599607      3.732432
  C      -3.789264      6.382189      4.411544
  O      -2.615761      6.046665      4.164319
  C      -4.675982      5.609818      5.395440
  C      -3.457863      8.469463      3.128655
  C      -7.054181     -5.661516      3.765025
  C      -6.310303     -4.686302      4.641664
  O      -5.117033     -4.828618      4.856958
  C      -7.057658     -3.539843      5.215895
  C      -8.412266     -3.318940      4.943456
  C      -9.052441     -2.203350      5.447805
  C      -8.325656     -1.301516      6.208331
  F      -8.973312     -0.211988      6.671903
  C      -6.981062     -1.483364      6.518308
  C      -6.110124     -0.498682      7.244196
  O      -5.107054     -0.893085      7.825018
  C      -6.452777      0.986985      7.163557
  C      -6.371974     -2.628743      6.015393
  H      -1.108555     -6.286553      1.508285
  H      -2.811671     -6.311408      2.016877
  H      -2.375786     -5.687149      0.426618
  H      -4.332648     -4.690268      0.898734
  H      -6.250530     -3.138440      1.132020
  H      -2.230675      0.644441      3.431785
  H      -1.997823     -0.473835      4.774877
  H      -2.006703     -2.132902      3.456220
  H      -3.901295     12.382903      1.749951
  H      -3.967869     11.402795      0.254776
  H      -2.424554     12.230807      0.718145
  H      -5.616634     10.775181      1.876838
  H      -7.244879      9.241617      2.926145
  H      -5.168712      6.340467      6.072395
  H      -5.484860      5.144889      4.801325
  H      -2.389629      8.238427      3.182249
  H      -7.881505     -6.128276      4.309653
  H      -6.362915     -6.429836      3.424187
  H      -7.489380     -5.147811      2.895498
  H      -8.976343     -4.013702      4.326966
  H     -10.102761     -2.012480      5.251213
  H      -7.233710      1.177704      7.919857
  H      -6.904403      1.180091      6.188314
  H      -5.317462     -2.783041      6.217947
  N      -5.320948      2.683829      4.583141
87
Coordinates from ORCA-job orca E -6506.304222663552
  N      -2.759464      1.401165      5.371110
  Mo     -4.283403      2.624976      5.873325
  N      -5.338781      1.847128      7.360490
  C      -4.821741      1.943380      8.730145
  C      -3.297445      1.844154      8.744358
  N      -2.738252      2.819930      7.804483
  C      -1.442985      2.463650      7.214185
  C      -1.562650      1.312479      6.218004
  C      -2.795572      4.214340      8.248194
  C      -2.974296      5.114544      7.035008
  N      -4.010684      4.582203      6.145063
  H      -0.648560      1.331591      5.593866
  H      -1.549409      0.336742      6.747127
  H      -1.081029      3.349737      6.677264
  H      -0.687557      2.215161      7.990625
  H      -3.248195      6.126427      7.371850
  H      -2.025117      5.221167      6.490631
  H      -3.655703      4.321780      8.918580
  H      -1.887578      4.504337      8.812850
  H      -5.231035      1.143427      9.358809
  H      -5.144296      2.903013      9.180083
  H      -3.020743      0.843462      8.389966
  H      -2.893548      1.973893      9.767049
  C      -1.968417     -5.702136      1.390096
  C      -1.801547     -4.327731      2.013049
  O      -0.723745     -3.952398      2.439165
  C      -3.024287     -3.449235      2.119463
  C      -4.235156     -3.766728      1.476159
  C      -5.364183     -2.932808      1.622651
  C      -5.288945     -1.801177      2.453986
  F      -6.408665     -1.026075      2.575498
  C      -4.094499     -1.452714      3.131982
  C      -4.072538     -0.354994      4.154847
  O      -5.060369     -0.120869      4.804129
  C      -2.747478      0.353620      4.385523
  C      -2.968473     -2.285387      2.921037
  C      -3.222032     11.673708      1.078086
  C      -2.773071     10.468107      1.844136
  O      -1.600182     10.201450      1.950180
  C      -3.821184      9.602082      2.463374
  C      -5.195453      9.899644      2.402325
  C      -6.124875      9.074307      3.001464
  C      -5.684502      7.958031      3.660153
  F      -6.629428      7.181872      4.225107
  C      -4.335984      7.608885      3.738354
  C      -3.797784      6.385996      4.404560
  O      -2.685316      6.038439      4.154616
  C      -4.684805      5.623718      5.384749
  C      -3.425030      8.460368      3.120893
  C      -6.966884     -5.695623      3.814566
  C      -6.238856     -4.699075      4.690857
  O      -5.013080     -4.813159      4.918594
  C      -7.029539     -3.556625      5.260323
  C      -8.409974     -3.360538      4.990341
  C      -9.077764     -2.254395      5.495121
  C      -8.357246     -1.335286      6.251344
  F      -9.033104     -0.258018      6.717183
  C      -6.989959     -1.489779      6.556879
  C      -6.122203     -0.488987      7.274839
  O      -5.117364     -0.867916      7.853505
  C      -6.487889      1.002214      7.187048
  C      -6.353726     -2.625983      6.056354
  H      -1.001865     -6.231078      1.412205
  H      -2.740615     -6.284076      1.946986
  H      -2.309444     -5.621016      0.349228
  H      -4.307587     -4.669216      0.851414
  H      -6.311268     -3.148689      1.114424
  H      -2.337149      0.664640      3.414159
  H      -2.073607     -0.439921      4.731351
  H      -2.021000     -2.078962      3.429835
  H      -3.783208     12.362628      1.719655
  H      -3.898411     11.382706      0.253137
  H      -2.342320     12.178702      0.675964
  H      -5.539695     10.781301      1.884937
  H      -7.198362      9.278454      2.963789
  H      -5.154810      6.369456      6.054686
  H      -5.502438      5.168930      4.797352
  H      -2.363756      8.212497      3.161455
  H      -7.798039     -6.174593      4.373289
  H      -6.245639     -6.461172      3.479247
  H      -7.415140     -5.190363      2.930657
  H      -8.966257     -4.072199      4.376650
  H     -10.145888     -2.079413      5.305730
  H      -7.266520      1.192971      7.953661
  H      -6.948357      1.198985      6.207314
  H      -5.278960     -2.764707      6.255556
  N      -5.346074      2.658412      4.607485
87
Coordinates from ORCA-job orca E -6506.306642214132
  N      -2.729910      1.412961      5.410040
  Mo     -4.258648      2.624889      5.929681
  N      -5.318412      1.821103      7.410291
  C      -4.809822      1.899576      8.786159
  C      -3.284248      1.810939      8.799065
  N      -2.723754      2.805917      7.866886
  C      -1.424289      2.459208      7.273422
  C      -1.535128      1.314153      6.259561
  C      -2.790537      4.199989      8.329004
  C      -2.971286      5.115420      7.121992
  N      -3.999647      4.580722      6.222998
  H      -0.617287      1.343054      5.632973
  H      -1.521316      0.327905      6.775625
  H      -1.062814      3.357520      6.747143
  H      -0.671537      2.203206      8.046834
  H      -3.254547      6.125360      7.470428
  H      -2.018004      5.237272      6.578099
  H      -3.653831      4.294763      8.999103
  H      -1.887865      4.489293      8.899998
  H      -5.216568      1.083947      9.406512
  H      -5.141522      2.854569      9.249753
  H      -3.001003      0.812212      8.434431
  H      -2.887700      1.931882      9.826810
  C      -2.057554     -5.655606      1.406315
  C      -1.886484     -4.288481      2.027695
  O      -0.776353     -3.914116      2.472450
  C      -3.092572     -3.402333      2.124402
  C      -4.315881     -3.681527      1.489847
  C      -5.406875     -2.827222      1.636904
  C      -5.282586     -1.722326      2.455425
  F      -6.360930     -0.922577      2.578317
  C      -4.081404     -1.411395      3.126964
  C      -4.034038     -0.325931      4.149488
  O      -4.998253     -0.087923      4.804190
  C      -2.709364      0.373644      4.392840
  C      -2.990894     -2.264149      2.914423
  C      -3.232809     11.637259      0.906143
  C      -2.789950     10.428534      1.728052
  O      -1.616420     10.153047      1.855796
  C      -3.838379      9.574229      2.388050
  C      -5.212193      9.890080      2.309758
  C      -6.163801      9.071652      2.947805
  C      -5.731689      7.938096      3.667568
  F      -6.699174      7.169762      4.271141
  C      -4.364696      7.574264      3.765742
  C      -3.804595      6.352660      4.477754
  O      -2.646928      5.986264      4.256046
  C      -4.688313      5.600774      5.462271
  C      -3.440902      8.421564      3.109170
  C      -6.936421     -5.688106      3.733102
  C      -6.219393     -4.706306      4.634803
  O      -5.031017     -4.827827      4.885051
  C      -6.998546     -3.566500      5.204482
  C      -8.356270     -3.358335      4.912652
  C      -9.023320     -2.250750      5.428400
  C      -8.318577     -1.340865      6.218141
  F      -8.990064     -0.264397      6.693127
  C      -6.969940     -1.510058      6.542396
  C      -6.109772     -0.527096      7.289451
  O      -5.109109     -0.935533      7.870404
  C      -6.465713      0.972186      7.223647
  C      -6.337916     -2.647292      6.030128
  H      -1.093171     -6.193593      1.444990
  H      -2.826076     -6.215206      1.954027
  H      -2.395076     -5.580859      0.356453
  H      -4.425871     -4.561394      0.874127
  H      -6.358254     -3.010210      1.135203
  H      -2.296204      0.706932      3.420122
  H      -2.029032     -0.435267      4.721821
  H      -2.038031     -2.087763      3.416266
  H      -3.785956     12.356506      1.519440
  H      -3.901372     11.327436      0.101464
  H      -2.357423     12.134714      0.484443
  H      -5.551746     10.777057      1.748937
  H      -7.231790      9.292259      2.898874
  H      -5.177621      6.344586      6.125112
  H      -5.488928      5.134137      4.876519
  H      -2.382750      8.161231      3.160047
  H      -7.770282     -6.166722      4.252269
  H      -6.234826     -6.449042      3.407237
  H      -7.352333     -5.179464      2.862615
  H      -8.901725     -4.057952      4.277586
  H     -10.075139     -2.070098      5.221757
  H      -7.255893      1.154740      7.990574
  H      -6.918919      1.185738      6.243255
  H      -5.282348     -2.792543      6.249069
  N      -5.330454      2.689321      4.666409
87
Coordinates from ORCA-job orca E -6506.305467397154
  N      -2.738778      1.436828      5.405617
  Mo     -4.281503      2.632178      5.918017
  N      -5.331540      1.819552      7.406159
  C      -4.805821      1.914571      8.771737
  C      -3.284943      1.844757      8.781350
  N      -2.740970      2.835234      7.839305
  C      -1.446087      2.499596      7.252630
  C      -1.549826      1.356607      6.259163
  C      -2.822491      4.227868      8.285509
  C      -3.013235      5.134207      7.073505
  N      -4.036195      4.587891      6.179978
  H      -0.631202      1.386899      5.642063
  H      -1.533053      0.380123      6.784480
  H      -1.091412      3.393521      6.717721
  H      -0.694909      2.260051      8.026159
  H      -3.307009      6.145785      7.414942
  H      -2.059042      5.261383      6.528907
  H      -3.691138      4.317869      8.955150
  H      -1.921632      4.528982      8.856369
  H      -5.198282      1.100173      9.397029
  H      -5.143149      2.861846      9.230080
  H      -2.993330      0.848933      8.423160
  H      -2.881005      1.979116      9.804772
  C      -2.053709     -5.671882      1.371570
  C      -1.875841     -4.301615      1.986055
  O      -0.783989     -3.929407      2.404972
  C      -3.069456     -3.413231      2.106437
  C      -4.286480     -3.699095      1.484176
  C      -5.366477     -2.853861      1.650483
  C      -5.241789     -1.752564      2.477406
  F      -6.308286     -0.963268      2.621981
  C      -4.050732     -1.431485      3.136488
  C      -4.013670     -0.337840      4.165190
  O      -5.037194     -0.121593      4.849611
  C      -2.698622      0.392317      4.401996
  C      -2.967586     -2.270871      2.905486
  C      -3.183368     11.649896      0.992882
  C      -2.761973     10.441295      1.798822
  O      -1.530469     10.165061      1.948752
  C      -3.826832      9.585278      2.409523
  C      -5.181182      9.899171      2.324230
  C      -6.126676      9.082275      2.925630
  C      -5.704611      7.943869      3.617456
  F      -6.657545      7.182375      4.184826
  C      -4.363762      7.577951      3.720465
  C      -3.825670      6.351531      4.423106
  O      -2.650307      5.986539      4.185417
  C      -4.716442      5.597505      5.414878
  C      -3.443312      8.426000      3.098095
  C      -6.956790     -5.704879      3.720821
  C      -6.230292     -4.719464      4.617773
  O      -5.026051     -4.841550      4.808520
  C      -7.010757     -3.590970      5.234067
  C      -8.383351     -3.394665      4.990143
  C      -9.057463     -2.289703      5.534310
  C      -8.341447     -1.373480      6.302962
  F      -9.018307     -0.298526      6.803835
  C      -6.978903     -1.532010      6.582401
  C      -6.113495     -0.537775      7.303905
  O      -5.098862     -0.926438      7.869997
  C      -6.476272      0.950364      7.235272
  C      -6.338821     -2.667941      6.044402
  H      -1.103316     -6.203778      1.389980
  H      -2.808871     -6.244477      1.929471
  H      -2.400262     -5.593363      0.329431
  H      -4.394981     -4.585364      0.859125
  H      -6.316461     -3.038745      1.160330
  H      -2.296488      0.732304      3.419328
  H      -1.992882     -0.409369      4.735920
  H      -2.016569     -2.089417      3.397330
  H      -3.758025     12.343054      1.623851
  H      -3.840094     11.358106      0.159785
  H      -2.284648     12.155676      0.598074
  H      -5.511158     10.788070      1.793518
  H      -7.181993      9.302482      2.872126
  H      -5.204050      6.339036      6.077909
  H      -5.521066      5.128694      4.829944
  H      -2.392083      8.169829      3.156895
  H      -7.778813     -6.214058      4.274575
  H      -6.231668     -6.455836      3.345851
  H      -7.416957     -5.177326      2.862468
  H      -8.939254     -4.097399      4.366679
  H     -10.122891     -2.120640      5.360555
  H      -7.250810      1.125320      8.007983
  H      -6.945031      1.147189      6.263601
  H      -5.271969     -2.802225      6.224855
  N      -5.396304      2.668724      4.628043
87
Coordinates from ORCA-job orca E -6506.305332165500
  N      -2.756724      1.435477      5.378459
  Mo     -4.297289      2.627972      5.912266
  N      -5.334190      1.823278      7.409122
  C      -4.803661      1.908916      8.775062
  C      -3.282387      1.831659      8.772335
  N      -2.743287      2.823885      7.833599
  C      -1.453241      2.483292      7.232324
  C      -1.568031      1.344432      6.224319
  C      -2.813665      4.214660      8.289217
  C      -2.997893      5.125357      7.079217
  N      -4.024645      4.587385      6.182757
  H      -0.659654      1.372430      5.601958
  H      -1.553654      0.367243      6.740348
  H      -1.100286      3.378632      6.703132
  H      -0.694637      2.230404      8.002481
  H      -3.285967      6.134885      7.427022
  H      -2.047882      5.249308      6.533033
  H      -3.680017      4.309706      8.958932
  H      -1.911120      4.509127      8.862138
  H      -5.191665      1.093014      9.397195
  H      -5.135606      2.855512      9.243402
  H      -2.996337      0.836628      8.408053
  H      -2.872462      1.959910      9.794566
  C      -2.019494     -5.646426      1.387307
  C      -1.834377     -4.290623      2.006966
  O      -0.764581     -3.928333      2.422868
  C      -3.033312     -3.414417      2.116180
  C      -4.239621     -3.729489      1.474978
  C      -5.344666     -2.900356      1.621863
  C      -5.252944     -1.778963      2.452902
  F      -6.345890     -1.006971      2.572492
  C      -4.066430     -1.430223      3.129749
  C      -4.042755     -0.334693      4.156740
  O      -5.061368     -0.125680      4.848787
  C      -2.727795      0.403715      4.371535
  C      -2.962098     -2.255690      2.918150
  C      -3.204791     11.599565      1.003817
  C      -2.755292     10.402471      1.794914
  O      -1.575553     10.116610      1.903773
  C      -3.812603      9.557829      2.430526
  C      -5.197214      9.867273      2.356085
  C      -6.140218      9.058070      2.966308
  C      -5.699677      7.942060      3.652539
  F      -6.658079      7.185471      4.224733
  C      -4.337013      7.581187      3.747789
  C      -3.799291      6.363163      4.437631
  O      -2.688878      6.005024      4.203416
  C      -4.691292      5.614396      5.417904
  C      -3.415040      8.417698      3.116725
  C      -6.986665     -5.659983      3.768034
  C      -6.260022     -4.680702      4.649778
  O      -5.069181     -4.804337      4.870473
  C      -7.021963     -3.553096      5.231902
  C      -8.376669     -3.355673      4.967340
  C      -9.028694     -2.261787      5.489483
  C      -8.315814     -1.356579      6.259627
  F      -8.975108     -0.290096      6.744171
  C      -6.970844     -1.512768      6.559463
  C      -6.113898     -0.521990      7.290225
  O      -5.117083     -0.895207      7.847829
  C      -6.481037      0.965935      7.234766
  C      -6.349291     -2.637987      6.037741
  H      -1.073794     -6.172524      1.408959
  H      -2.779523     -6.214620      1.936802
  H      -2.365904     -5.565613      0.350407
  H      -4.322786     -4.628601      0.849353
  H      -6.288173     -3.109891      1.113587
  H      -2.343509      0.748047      3.391551
  H      -2.018252     -0.386439      4.688952
  H      -2.018388     -2.052482      3.426770
  H      -3.768096     12.315022      1.635455
  H      -3.883209     11.290570      0.184151
  H      -2.323987     12.090369      0.591805
  H      -5.546111     10.744739      1.817626
  H      -7.225859      9.270584      2.917179
  H      -5.163899      6.357892      6.082837
  H      -5.506838      5.161171      4.829315
  H      -2.341939      8.160649      3.168946
  H      -7.805878     -6.138207      4.299606
  H      -6.289560     -6.416162      3.430173
  H      -7.421079     -5.151321      2.906223
  H      -8.930833     -4.054197      4.345624
  H     -10.078960     -2.089007      5.302118
  H      -7.254009      1.137134      8.008106
  H      -6.947677      1.174025      6.269027
  H      -5.293368     -2.774927      6.233886
  N      -5.397522      2.680053      4.638864
87
Coordinates from ORCA-job orca E -6506.304712840490
  N      -2.757871      1.429656      5.425625
  Mo     -4.295564      2.617745      5.962638
  N      -5.335323      1.813921      7.450500
  C      -4.819004      1.895082      8.820731
  C      -3.293140      1.819456      8.825881
  N      -2.749125      2.810749      7.887330
  C      -1.451993      2.471464      7.288370
  C      -1.565772      1.327380      6.276900
  C      -2.824504      4.204260      8.343929
  C      -3.005052      5.116327      7.136555
  N      -4.025587      4.576059      6.233735
  H      -0.647649      1.354874      5.655742
  H      -1.556412      0.342905      6.793119
  H      -1.097008      3.369152      6.762335
  H      -0.694075      2.217850      8.057938
  H      -3.295612      6.123543      7.481411
  H      -2.050759      5.242472      6.598376
  H      -3.691232      4.295375      9.007992
  H      -1.926308      4.498842      8.918749
  H      -5.213768      1.075760      9.439679
  H      -5.155634      2.844408      9.287961
  H      -3.005171      0.823185      8.464650
  H      -2.887731      1.949010      9.847215
  C      -1.991513     -5.583582      1.297633
  C      -1.833660     -4.224878      1.953442
  O      -0.744429     -3.851335      2.393790
  C      -3.050583     -3.354716      2.078131
  C      -4.265849     -3.649360      1.433942
  C      -5.381333     -2.815327      1.599581
  C      -5.288623     -1.709694      2.450982
  F      -6.391173     -0.929289      2.587972
  C      -4.089695     -1.385943      3.131861
  C      -4.053461     -0.313789      4.173705
  O      -5.012154     -0.099343      4.839133
  C      -2.737371      0.409079      4.399380
  C      -2.976963     -2.217997      2.899920
  C      -3.199891     11.528878      0.883464
  C      -2.763017     10.337485      1.704872
  O      -1.616219     10.066150      1.823452
  C      -3.810445      9.495774      2.367508
  C      -5.182754      9.808560      2.293974
  C      -6.123735      9.005356      2.934313
  C      -5.695721      7.896120      3.645508
  F      -6.646907      7.141095      4.254685
  C      -4.341768      7.534677      3.739481
  C      -3.797180      6.326005      4.460321
  O      -2.648210      5.961640      4.246232
  C      -4.697868      5.595923      5.448636
  C      -3.419817      8.363861      3.082175
  C      -6.956212     -5.632026      3.722830
  C      -6.226474     -4.662156      4.624416
  O      -5.004457     -4.778338      4.846922
  C      -7.013889     -3.538804      5.230505
  C      -8.393514     -3.335258      4.971612
  C      -9.061367     -2.246374      5.513090
  C      -8.340894     -1.349071      6.293556
  F      -9.017785     -0.288175      6.795577
  C      -6.972375     -1.512513      6.588270
  C      -6.105804     -0.529393      7.332866
  O      -5.071830     -0.943409      7.921234
  C      -6.475930      0.962939      7.270572
  C      -6.337228     -2.632170      6.052369
  H      -1.021878     -6.110220      1.314337
  H      -2.755080     -6.176936      1.836243
  H      -2.332304     -5.482771      0.254965
  H      -4.352227     -4.527773      0.794134
  H      -6.327544     -3.011897      1.089520
  H      -2.357698      0.766551      3.420954
  H      -2.031126     -0.386681      4.699658
  H      -2.027122     -2.028697      3.405159
  H      -3.759371     12.255442      1.495166
  H      -3.873404     11.212109      0.069777
  H      -2.316344     12.013540      0.462673
  H      -5.518571     10.683712      1.734345
  H      -7.189474      9.223007      2.890468
  H      -5.187477      6.358304      6.098149
  H      -5.501467      5.126671      4.858866
  H      -2.361316      8.104616      3.132822
  H      -7.776403     -6.126329      4.265245
  H      -6.244872     -6.384165      3.363441
  H      -7.406478     -5.104219      2.859799
  H      -8.949772     -4.027657      4.340074
  H     -10.128595     -2.068219      5.333873
  H      -7.258117      1.139728      8.042293
  H      -6.941630      1.172386      6.292842
  H      -5.265729     -2.776188      6.246046
  N      -5.363600      2.673382      4.719648
87
Coordinates from ORCA-job orca E -6506.305856723962
  N      -2.753697      1.454734      5.414066
  Mo     -4.298840      2.624694      5.960385
  N      -5.333442      1.804215      7.455181
  C      -4.804733      1.883393      8.825762
  C      -3.279147      1.820295      8.823678
  N      -2.748581      2.820928      7.880407
  C      -1.450448      2.488989      7.280659
  C      -1.559592      1.351384      6.268875
  C      -2.834559      4.212960      8.334124
  C      -3.021233      5.124010      7.124559
  N      -4.038806      4.579195      6.222316
  H      -0.637285      1.382473      5.647555
  H      -1.547943      0.364971      6.784817
  H      -1.097530      3.388374      6.752755
  H      -0.694816      2.238655      8.050432
  H      -3.321044      6.130600      7.470092
  H      -2.065928      5.257386      6.585182
  H      -3.706147      4.298706      8.997343
  H      -1.939271      4.512997      8.912639
  H      -5.189794      1.057157      9.444237
  H      -5.147842      2.825302      9.301070
  H      -2.982057      0.826660      8.456444
  H      -2.869624      1.950276      9.846399
  C      -2.028926     -5.589368      1.343657
  C      -1.875322     -4.213600      1.973252
  O      -0.760950     -3.819222      2.419638
  C      -3.093590     -3.339210      2.086355
  C      -4.320251     -3.622728      1.459555
  C      -5.415691     -2.780627      1.629291
  C      -5.292008     -1.685922      2.461386
  F      -6.370567     -0.896560      2.607572
  C      -4.088715     -1.371044      3.123793
  C      -4.039928     -0.296787      4.158547
  O      -5.005650     -0.093347      4.840570
  C      -2.732510      0.437039      4.380201
  C      -2.995430     -2.208272      2.890015
  C      -3.170807     11.535678      0.881682
  C      -2.757537     10.345725      1.735920
  O      -1.524338     10.071548      1.900373
  C      -3.816860      9.513836      2.374274
  C      -5.168806      9.830912      2.277944
  C      -6.111662      9.033154      2.904320
  C      -5.689250      7.913272      3.629588
  F      -6.646232      7.164336      4.218514
  C      -4.351474      7.545420      3.740133
  C      -3.816738      6.330262      4.461077
  O      -2.657719      5.950446      4.231069
  C      -4.710002      5.590959      5.449831
  C      -3.434093      8.373675      3.095965
  C      -6.928952     -5.678730      3.692764
  C      -6.210924     -4.702144      4.603246
  O      -5.010172     -4.822109      4.819233
  C      -6.993844     -3.579241      5.218300
  C      -8.359247     -3.383907      4.964854
  C      -9.035504     -2.288704      5.523070
  C      -8.330109     -1.378935      6.313643
  F      -9.006596     -0.314354      6.828589
  C      -6.973652     -1.536173      6.596722
  C      -6.109724     -0.549923      7.327948
  O      -5.106987     -0.940803      7.861815
  C      -6.477506      0.940130      7.286712
  C      -6.333050     -2.661731      6.045802
  H      -1.054843     -6.112588      1.372869
  H      -2.791451     -6.171350      1.891834
  H      -2.370838     -5.516763      0.295815
  H      -4.428159     -4.498974      0.832611
  H      -6.370973     -2.966184      1.135225
  H      -2.370706      0.803700      3.400995
  H      -2.013345     -0.355307      4.666589
  H      -2.039380     -2.028785      3.386155
  H      -3.731055     12.254576      1.484010
  H      -3.825937     11.220540      0.067560
  H      -2.279975     12.025322      0.464728
  H      -5.502248     10.705203      1.717400
  H      -7.167461      9.254668      2.840828
  H      -5.190891      6.342508      6.101567
  H      -5.513790      5.123710      4.870799
  H      -2.390220      8.113954      3.160864
  H      -7.753727     -6.181425      4.222956
  H      -6.216309     -6.429421      3.332836
  H      -7.368715     -5.152594      2.834760
  H      -8.904948     -4.082224      4.327848
  H     -10.093424     -2.121035      5.344812
  H      -7.247364      1.103655      8.073348
  H      -6.958533      1.153666      6.320531
  H      -5.272821     -2.794812      6.232865
  N      -5.399190      2.676427      4.699771
87
Coordinates from ORCA-job orca E -6506.306076712448
  N      -2.777650      1.470504      5.409447
  Mo     -4.332778      2.629021      5.965376
  N      -5.350704      1.800136      7.466915
  C      -4.811642      1.883776      8.827432
  C      -3.291512      1.831705      8.816280
  N      -2.773058      2.832840      7.874769
  C      -1.482350      2.509699      7.267550
  C      -1.588975      1.376423      6.257075
  C      -2.861248      4.221881      8.331015
  C      -3.051066      5.131790      7.123710
  N      -4.068162      4.585705      6.222143
  H      -0.676138      1.411651      5.634647
  H      -1.572540      0.393306      6.769481
  H      -1.138739      3.413332      6.739800
  H      -0.721774      2.260623      8.032355
  H      -3.352048      6.137440      7.472488
  H      -2.099428      5.267954      6.582276
  H      -3.732467      4.305957      8.996988
  H      -1.964658      4.525387      8.908391
  H      -5.182788      1.055489      9.444509
  H      -5.157374      2.818689      9.305058
  H      -2.993330      0.840775      8.449456
  H      -2.876232      1.965857      9.835022
  C      -2.062586     -5.577343      1.286712
  C      -1.879044     -4.230077      1.919558
  O      -0.798328     -3.867615      2.320220
  C      -3.071244     -3.356156      2.068974
  C      -4.288136     -3.650180      1.456366
  C      -5.377522     -2.821997      1.644544
  C      -5.260921     -1.727630      2.484906
  F      -6.336706     -0.952438      2.648496
  C      -4.068858     -1.398380      3.134948
  C      -4.037358     -0.314278      4.177330
  O      -5.062642     -0.132063      4.900702
  C      -2.735371      0.453960      4.381300
  C      -2.976866     -2.220492      2.883348
  C      -3.113547     11.554450      0.910637
  C      -2.689236     10.361056      1.725275
  O      -1.489188     10.058574      1.851814
  C      -3.766569      9.533445      2.370300
  C      -5.140473      9.861150      2.282024
  C      -6.113714      9.065436      2.900478
  C      -5.702732      7.937527      3.613308
  F      -6.687819      7.198020      4.192333
  C      -4.342520      7.559146      3.725106
  C      -3.820672      6.337469      4.446154
  O      -2.658576      5.959958      4.217968
  C      -4.731629      5.602526      5.439731
  C      -3.394967      8.385093      3.082778
  C      -6.918432     -5.678818      3.730295
  C      -6.191608     -4.698829      4.630817
  O      -4.989710     -4.808890      4.838291
  C      -6.976814     -3.592307      5.241255
  C      -8.355639     -3.414427      4.987570
  C      -9.037017     -2.333162      5.536156
  C      -8.325801     -1.420884      6.319501
  F      -9.012035     -0.369085      6.827718
  C      -6.956364     -1.559675      6.606977
  C      -6.100428     -0.562024      7.343302
  O      -5.064185     -0.938050      7.905613
  C      -6.489832      0.922915      7.299277
  C      -6.307096     -2.673487      6.061705
  H      -1.117123     -6.098989      1.283895
  H      -2.801945     -6.159172      1.841355
  H      -2.426135     -5.481522      0.255879
  H      -4.390613     -4.531577      0.820312
  H      -6.328284     -3.013753      1.159446
  H      -2.384002      0.830112      3.397771
  H      -1.994415     -0.323712      4.667657
  H      -2.025737     -2.031784      3.368879
  H      -3.664517     12.271923      1.525868
  H      -3.787595     11.248577      0.100168
  H      -2.225806     12.035624      0.493489
  H      -5.466339     10.741324      1.729548
  H      -7.188677      9.294566      2.841244
  H      -5.211440      6.354600      6.094634
  H      -5.544282      5.144042      4.848131
  H      -2.329822      8.116072      3.145618
  H      -7.741124     -6.187517      4.268407
  H      -6.196809     -6.417285      3.368039
  H      -7.375634     -5.162533      2.873641
  H      -8.908982     -4.115257      4.355116
  H     -10.106875     -2.178731      5.356794
  H      -7.256558      1.077760      8.082601
  H      -6.970926      1.127957      6.338494
  H      -5.234724     -2.793541      6.249436
  N      -5.462778      2.678206      4.683381
87
Coordinates from ORCA-job orca E -6506.307788894677
  N      -2.766467      1.453617      5.429595
  Mo     -4.317648      2.614540      5.984667
  N      -5.344947      1.801759      7.479253
  C      -4.820842      1.881120      8.845413
  C      -3.296200      1.822335      8.839727
  N      -2.764330      2.814809      7.898264
  C      -1.471153      2.485305      7.297703
  C      -1.585079      1.349536      6.284671
  C      -2.848590      4.205333      8.355311
  C      -3.031861      5.119911      7.147895
  N      -4.044904      4.576542      6.240483
  H      -0.670821      1.378447      5.672701
  H      -1.580875      0.371719      6.794748
  H      -1.119874      3.382381      6.776591
  H      -0.711912      2.231401      8.063615
  H      -3.331622      6.125249      7.494020
  H      -2.076412      5.253668      6.613027
  H      -3.720323      4.289607      9.015999
  H      -1.954800      4.503719      8.936075
  H      -5.199482      1.053646      9.461175
  H      -5.164739      2.821404      9.320250
  H      -3.001865      0.830704      8.479198
  H      -2.885825      1.957301      9.858020
  C      -2.000376     -5.556698      1.257200
  C      -1.828250     -4.211002      1.927941
  O      -0.758340     -3.863583      2.356040
  C      -3.035495     -3.336331      2.069881
  C      -4.247473     -3.630773      1.424292
  C      -5.359948     -2.801962      1.595316
  C      -5.268141     -1.700654      2.455498
  F      -6.367708     -0.925604      2.597128
  C      -4.074071     -1.374336      3.138419
  C      -4.045708     -0.303984      4.187057
  O      -5.032588     -0.111648      4.884313
  C      -2.736972      0.449687      4.391491
  C      -2.962510     -2.199369      2.902131
  C      -3.181542     11.472858      0.846680
  C      -2.742729     10.287935      1.678407
  O      -1.586047     10.010100      1.800287
  C      -3.797533      9.462518      2.347323
  C      -5.162698      9.795923      2.279978
  C      -6.097801      9.014541      2.933753
  C      -5.677907      7.905667      3.649864
  F      -6.619583      7.178188      4.273776
  C      -4.334594      7.521309      3.737467
  C      -3.800067      6.312702      4.462143
  O      -2.691735      5.939821      4.254393
  C      -4.703073      5.596468      5.450732
  C      -3.415069      8.330292      3.067541
  C      -6.950441     -5.619857      3.693988
  C      -6.232001     -4.653953      4.600053
  O      -5.032615     -4.772004      4.794496
  C      -7.010988     -3.539293      5.233021
  C      -8.375695     -3.340906      4.998991
  C      -9.037933     -2.262597      5.559417
  C      -8.326424     -1.370188      6.334414
  F      -8.998003     -0.318758      6.856243
  C      -6.972291     -1.525885      6.607457
  C      -6.117362     -0.539886      7.344780
  O      -5.098479     -0.937600      7.906445
  C      -6.486850      0.948652      7.300210
  C      -6.341419     -2.636833      6.051794
  H      -1.040617     -6.088137      1.259834
  H      -2.766323     -6.151488      1.791954
  H      -2.343405     -5.437847      0.217257
  H      -4.331933     -4.510040      0.776276
  H      -6.305834     -2.996695      1.083206
  H      -2.389237      0.835131      3.408841
  H      -1.999271     -0.334514      4.661498
  H      -2.012902     -2.010545      3.409471
  H      -3.752980     12.222577      1.460000
  H      -3.862757     11.143152      0.017057
  H      -2.281432     11.944459      0.425422
  H      -5.488307     10.672740      1.718435
  H      -7.150510      9.250064      2.900395
  H      -5.184557      6.366132      6.094828
  H      -5.511834      5.133482      4.864596
  H      -2.360278      8.054583      3.114103
  H      -7.755463     -6.135002      4.231427
  H      -6.241637     -6.366398      3.312137
  H      -7.402389     -5.076140      2.851698
  H      -8.926280     -4.029904      4.369463
  H     -10.095607     -2.089254      5.397504
  H      -7.261942      1.115287      8.076689
  H      -6.960578      1.165635      6.333140
  H      -5.278821     -2.775683      6.226781
  N      -5.406064      2.669166      4.734996
87
Coordinates from ORCA-job orca E -6506.308569446613
  N      -2.776182      1.480283      5.416294
  Mo     -4.329926      2.620179      5.993856
  N      -5.337708      1.784419      7.497911
  C      -4.800445      1.860091      8.866012
  C      -3.273297      1.817779      8.848120
  N      -2.763820      2.825628      7.898159
  C      -1.466592      2.506991      7.283099
  C      -1.578714      1.371116      6.266044
  C      -2.861928      4.217949      8.354012
  C      -3.056748      5.131939      7.147353
  N      -4.068926      4.577414      6.242215
  H      -0.659216      1.406670      5.641634
  H      -1.566318      0.380549      6.775722
  H      -1.124893      3.412351      6.756348
  H      -0.701400      2.257532      8.043860
  H      -3.367912      6.134694      7.496899
  H      -2.101058      5.277930      6.608717
  H      -3.736042      4.293094      9.016721
  H      -1.969442      4.526660      8.933467
  H      -5.169777      1.022984      9.480899
  H      -5.153572      2.793912      9.352053
  H      -2.968447      0.827194      8.478282
  H      -2.854892      1.953184      9.864185
  C      -1.981723     -5.500846      1.283217
  C      -1.844412     -4.135427      1.934198
  O      -0.740831     -3.724024      2.390196
  C      -3.071432     -3.286953      2.057553
  C      -4.290769     -3.588073      1.424669
  C      -5.399376     -2.766594      1.603858
  C      -5.295463     -1.671741      2.455010
  F      -6.386872     -0.900644      2.610231
  C      -4.094502     -1.342583      3.121894
  C      -4.050359     -0.280064      4.167129
  O      -4.997579     -0.105721      4.865241
  C      -2.753028      0.484596      4.362287
  C      -2.990062     -2.159380      2.877441
  C      -3.101342     11.443057      0.855807
  C      -2.711497     10.258907      1.701011
  O      -1.532269      9.977709      1.850995
  C      -3.782128      9.442174      2.350357
  C      -5.149418      9.760162      2.247123
  C      -6.113227      8.974081      2.872952
  C      -5.700636      7.873436      3.605279
  F      -6.680693      7.133913      4.192233
  C      -4.348641      7.507111      3.727877
  C      -3.823961      6.306103      4.465653
  O      -2.673942      5.933446      4.255497
  C      -4.729198      5.586066      5.453740
  C      -3.411205      8.319310      3.080515
  C      -6.969150     -5.625861      3.680259
  C      -6.229582     -4.671083      4.592723
  O      -5.004812     -4.789321      4.794552
  C      -7.008987     -3.564703      5.230559
  C      -8.389625     -3.368216      4.998138
  C      -9.057223     -2.293155      5.577895
  C      -8.330947     -1.402556      6.368372
  F      -9.001879     -0.355681      6.908073
  C      -6.959772     -1.559660      6.630177
  C      -6.082282     -0.583611      7.365864
  O      -5.070696     -0.970182      7.888483
  C      -6.470443      0.905949      7.335386
  C      -6.326327     -2.666367      6.058371
  H      -1.004553     -6.007420      1.308541
  H      -2.734125     -6.097881      1.818383
  H      -2.326293     -5.420762      0.240538
  H      -4.383647     -4.460611      0.784711
  H      -6.348707     -2.965837      1.105012
  H      -2.434370      0.886077      3.376580
  H      -1.998001     -0.291645      4.608279
  H      -2.038496     -1.966364      3.374560
  H      -3.634619     12.164489      1.450000
  H      -3.765581     11.142689      0.060303
  H      -2.212677     11.912730      0.432680
  H      -5.476691     10.623917      1.674668
  H      -7.190685      9.193236      2.796737
  H      -5.211325      6.348687      6.095383
  H      -5.530986      5.114644      4.868552
  H      -2.354873      8.057609      3.153794
  H      -7.783742     -6.127408      4.221435
  H      -6.256581     -6.366427      3.301036
  H      -7.434606     -5.090263      2.827788
  H      -8.951409     -4.053283      4.360362
  H     -10.126840     -2.124299      5.419111
  H      -7.233450      1.056839      8.131550
  H      -6.965315      1.118971      6.373005
  H      -5.253926     -2.802057      6.230435
  N      -5.434951      2.668026      4.759649
87
Coordinates from ORCA-job orca E -6506.307909984484
  N      -2.804668      1.486921      5.440719
  Mo     -4.358131      2.625013      6.028272
  N      -5.364368      1.792913      7.532703
  C      -4.823728      1.863647      8.894456
  C      -3.301788      1.813317      8.877537
  N      -2.791850      2.815433      7.935769
  C      -1.501742      2.489879      7.319373
  C      -1.617188      1.362452      6.294469
  C      -2.879328      4.202257      8.400088
  C      -3.060146      5.118631      7.197716
  N      -4.070352      4.578895      6.285844
  H      -0.697801      1.389930      5.672954
  H      -1.615646      0.370891      6.800726
  H      -1.155693      3.396713      6.798598
  H      -0.738668      2.228148      8.082505
  H      -3.363266      6.119636      7.552477
  H      -2.107544      5.258867      6.663373
  H      -3.753683      4.284783      9.058161
  H      -1.988364      4.500677      8.987066
  H      -5.190528      1.026805      9.501686
  H      -5.171513      2.793261      9.385319
  H      -3.003008      0.822461      8.506059
  H      -2.879152      1.946136      9.896390
  C      -2.018141     -5.482472      1.192972
  C      -1.859772     -4.130551      1.853926
  O      -0.756724     -3.747982      2.271785
  C      -3.080866     -3.270787      2.020139
  C      -4.306091     -3.561874      1.404725
  C      -5.417724     -2.741632      1.618033
  C      -5.310722     -1.660386      2.481417
  F      -6.405775     -0.892281      2.669416
  C      -4.108628     -1.336819      3.132801
  C      -4.072359     -0.274224      4.193940
  O      -5.052787     -0.104977      4.916266
  C      -2.777794      0.500526      4.383128
  C      -2.999549     -2.150310      2.858120
  C      -3.137084     11.392795      0.748349
  C      -2.691003     10.231026      1.630442
  O      -1.470783      9.922122      1.779095
  C      -3.757427      9.441241      2.311038
  C      -5.109202      9.789033      2.226731
  C      -6.058646      9.031142      2.887750
  C      -5.648504      7.917324      3.634193
  F      -6.613437      7.211147      4.255764
  C      -4.314230      7.518564      3.737225
  C      -3.800606      6.304615      4.485465
  O      -2.625166      5.902717      4.266166
  C      -4.720202      5.594966      5.485935
  C      -3.385217      8.309621      3.059176
  C      -6.884114     -5.639286      3.691165
  C      -6.162102     -4.666185      4.601675
  O      -4.970125     -4.769563      4.816180
  C      -6.953227     -3.571541      5.226780
  C      -8.324550     -3.402306      4.972741
  C      -9.015398     -2.332458      5.539858
  C      -8.319458     -1.420989      6.344058
  F      -9.014400     -0.381094      6.874747
  C      -6.956880     -1.552714      6.630987
  C      -6.113559     -0.557870      7.386973
  O      -5.078513     -0.946433      7.959678
  C      -6.503733      0.925547      7.358377
  C      -6.298877     -2.655041      6.066229
  H      -1.052695     -5.998551      1.178509
  H      -2.757790     -6.089569      1.746736
  H      -2.382516     -5.372276      0.157970
  H      -4.399176     -4.431775      0.750232
  H      -6.374546     -2.932471      1.132366
  H      -2.465893      0.905249      3.402031
  H      -2.021035     -0.267698      4.625183
  H      -2.042628     -1.963538      3.344698
  H      -3.709744     12.155041      1.333716
  H      -3.808661     11.038867     -0.060481
  H      -2.251831     11.853853      0.312594
  H      -5.433118     10.658649      1.648346
  H      -7.114400      9.278497      2.837131
  H      -5.194594      6.362185      6.123853
  H      -5.531557      5.136435      4.903517
  H      -2.339132      8.024943      3.117182
  H      -7.699507     -6.156762      4.217744
  H      -6.172217     -6.369247      3.323610
  H      -7.335588     -5.116466      2.846925
  H      -8.865254     -4.101764      4.326738
  H     -10.079431     -2.185554      5.362372
  H      -7.272380      1.074535      8.144262
  H      -6.982954      1.141958      6.399267
  H      -5.233137     -2.768867      6.253281
  N      -5.478672      2.681821      4.762286
87
Coordinates from ORCA-job orca E -6506.309719449985
  N      -2.789768      1.503540      5.426014
  Mo     -4.358292      2.616101      6.011719
  N      -5.360169      1.772058      7.514008
  C      -4.822666      1.850407      8.874870
  C      -3.299215      1.825370      8.854184
  N      -2.794691      2.830697      7.907718
  C      -1.501964      2.525518      7.298062
  C      -1.609056      1.398191      6.282800
  C      -2.902786      4.217724      8.365546
  C      -3.099152      5.132406      7.160966
  N      -4.101505      4.576997      6.248631
  H      -0.694588      1.435317      5.672672
  H      -1.603383      0.419099      6.786809
  H      -1.164033      3.430077      6.778042
  H      -0.736874      2.277314      8.055750
  H      -3.418006      6.130844      7.510178
  H      -2.144136      5.284866      6.629030
  H      -3.779611      4.285004      9.023808
  H      -2.015435      4.530135      8.949670
  H      -5.176854      1.009229      9.486640
  H      -5.183630      2.775852      9.360803
  H      -2.987735      0.840490      8.491789
  H      -2.882309      1.968143      9.867293
  C      -2.084414     -5.489266      1.221590
  C      -1.887574     -4.166827      1.886052
  O      -0.812302     -3.837108      2.286427
  C      -3.074856     -3.289841      2.053703
  C      -4.297233     -3.570807      1.435992
  C      -5.386722     -2.744052      1.623312
  C      -5.264890     -1.663610      2.473830
  F      -6.339698     -0.886808      2.635719
  C      -4.068119     -1.348312      3.134429
  C      -4.034133     -0.282963      4.187444
  O      -5.026535     -0.129447      4.920106
  C      -2.747776      0.519988      4.366069
  C      -2.973269     -2.168355      2.878641
  C      -3.038032     11.453497      0.822077
  C      -2.657650     10.256723      1.647033
  O      -1.480055      9.953749      1.768517
  C      -3.752783      9.445468      2.314513
  C      -5.115719      9.791922      2.239918
  C      -6.090381      9.019858      2.890719
  C      -5.697475      7.902245      3.618384
  F      -6.674362      7.188490      4.238720
  C      -4.349962      7.505899      3.715635
  C      -3.830327      6.296621      4.452715
  O      -2.692563      5.912592      4.251107
  C      -4.749519      5.590128      5.446836
  C      -3.400136      8.306410      3.043548
  C      -6.863504     -5.649620      3.670073
  C      -6.164464     -4.678078      4.593230
  O      -4.955997     -4.773294      4.769044
  C      -6.964595     -3.588327      5.249767
  C      -8.340693     -3.416542      5.034629
  C      -9.026375     -2.354730      5.620416
  C      -8.322249     -1.452236      6.397980
  F      -9.012457     -0.419690      6.942088
  C      -6.955969     -1.582478      6.648246
  C      -6.106074     -0.587335      7.377216
  O      -5.079334     -0.966418      7.916388
  C      -6.495329      0.897132      7.344987
  C      -6.303694     -2.678417      6.071206
  H      -1.140197     -6.020947      1.206522
  H      -2.829605     -6.073437      1.763750
  H      -2.448534     -5.364127      0.192786
  H      -4.404506     -4.439138      0.793762
  H      -6.339000     -2.927168      1.129716
  H      -2.454340      0.941137      3.386258
  H      -1.969756     -0.235771      4.590420
  H      -2.016549     -1.988001      3.366555
  H      -3.574195     12.191877      1.435179
  H      -3.726438     11.148722      0.003818
  H      -2.117235     11.918531      0.397293
  H      -5.420431     10.669858      1.675072
  H      -7.142632      9.266256      2.851107
  H      -5.229699      6.363900      6.084450
  H      -5.558168      5.125646      4.855426
  H      -2.345923      8.021903      3.096170
  H      -7.661617     -6.200722      4.206027
  H      -6.126974     -6.374538      3.264748
  H      -7.335501     -5.098934      2.841686
  H      -8.885683     -4.110192      4.403058
  H     -10.093523     -2.204521      5.473733
  H      -7.259619      1.045840      8.133682
  H      -6.987186      1.112162      6.387386
  H      -5.233994     -2.795782      6.232744
  N      -5.485609      2.663676      4.759124
87
Coordinates from ORCA-job orca E -6506.309502803936
  N      -2.801408      1.503662      5.449002
  Mo     -4.364728      2.618386      6.056964
  N      -5.353394      1.774097      7.566695
  C      -4.810242      1.843328      8.931228
  C      -3.284020      1.813279      8.903404
  N      -2.787860      2.821610      7.952959
  C      -1.495871      2.507625      7.328453
  C      -1.613380      1.379874      6.301184
  C      -2.889599      4.211513      8.415699
  C      -3.084488      5.133751      7.212985
  N      -4.090606      4.580457      6.300462
  H      -0.695263      1.414994      5.683843
  H      -1.610511      0.387816      6.801509
  H      -1.157551      3.415831      6.809729
  H      -0.726941      2.250455      8.084060
  H      -3.401635      6.134600      7.569244
  H      -2.127637      5.287911      6.676884
  H      -3.767280      4.281240      9.075935
  H      -2.000699      4.519288      9.001897
  H      -5.165027      0.996299      9.538504
  H      -5.168959      2.768271      9.429273
  H      -2.975698      0.825367      8.532172
  H      -2.859205      1.952382      9.916084
  C      -1.954467     -5.417061      1.137099
  C      -1.823904     -4.064494      1.839793
  O      -0.744755     -3.670344      2.284286
  C      -3.050915     -3.226164      2.008157
  C      -4.262556     -3.528600      1.374326
  C      -5.379766     -2.722674      1.585228
  C      -5.290259     -1.638975      2.468533
  F      -6.391177     -0.883157      2.651738
  C      -4.093968     -1.307790      3.134858
  C      -4.060165     -0.258061      4.201019
  O      -5.018193     -0.111613      4.931385
  C      -2.776238      0.536451      4.373613
  C      -2.982686     -2.108390      2.863040
  C      -3.093027     11.288241      0.731131
  C      -2.681982     10.128194      1.617159
  O      -1.530994      9.826172      1.776030
  C      -3.745648      9.357782      2.295807
  C      -5.115081      9.709577      2.179482
  C      -6.076770      8.967750      2.830834
  C      -5.672485      7.880144      3.596578
  F      -6.652488      7.186079      4.206523
  C      -4.322335      7.479803      3.734806
  C      -3.816241      6.285461      4.504059
  O      -2.703757      5.903581      4.318619
  C      -4.735369      5.591311      5.493419
  C      -3.379281      8.249028      3.063922
  C      -6.964694     -5.581980      3.642548
  C      -6.219008     -4.636778      4.563706
  O      -4.997806     -4.750668      4.753770
  C      -6.998616     -3.547421      5.231184
  C      -8.381999     -3.359715      5.013094
  C      -9.049245     -2.304919      5.616781
  C      -8.323567     -1.424054      6.416893
  F      -8.997895     -0.395505      6.980744
  C      -6.950630     -1.569782      6.668188
  C      -6.082900     -0.593580      7.418523
  O      -5.059426     -0.977105      7.948703
  C      -6.482453      0.892717      7.401761
  C      -6.314701     -2.658356      6.071890
  H      -0.972471     -5.917781      1.126283
  H      -2.703876     -6.051295      1.663495
  H      -2.304524     -5.296886      0.100597
  H      -4.343328     -4.392790      0.707319
  H      -6.326127     -2.922333      1.086854
  H      -2.500825      0.972342      3.384104
  H      -1.988392     -0.223152      4.576255
  H      -2.033582     -1.914398      3.357578
  H      -3.632426     12.052777      1.296819
  H      -3.762641     10.966732     -0.062376
  H      -2.211688     11.718456      0.296677
  H      -5.436019     10.565517      1.576474
  H      -7.150994      9.213087      2.748521
  H      -5.215201      6.368185      6.123283
  H      -5.542216      5.125866      4.904877
  H      -2.324242      7.959230      3.146397
  H      -7.769902     -6.098708      4.185325
  H      -6.255320     -6.311804      3.242897
  H      -7.441157     -5.034496      2.801824
  H      -8.944643     -4.038749      4.365891
  H     -10.121304     -2.142804      5.470159
  H      -7.242757      1.033350      8.199100
  H      -6.981519      1.109517      6.444964
  H      -5.239153     -2.787477      6.233029
  N      -5.476235      2.668241      4.832028
87
Coordinates from ORCA-job orca E -6506.307611347758
  N      -2.826541      1.511732      5.414290
  Mo     -4.387520      2.615276      6.033271
  N      -5.365721      1.767901      7.549958
  C      -4.811333      1.837999      8.909220
  C      -3.286726      1.811700      8.870761
  N      -2.801172      2.820093      7.915209
  C      -1.512221      2.509252      7.284866
  C      -1.633556      1.381152      6.263107
  C      -2.902345      4.207070      8.375962
  C      -3.099735      5.121165      7.175305
  N      -4.106445      4.569508      6.267960
  H      -0.715913      1.408633      5.637482
  H      -1.632589      0.390408      6.768578
  H      -1.178180      3.418307      6.760012
  H      -0.739638      2.255268      8.037446
  H      -3.414440      6.115818      7.531605
  H      -2.150232      5.274060      6.638951
  H      -3.775538      4.277791      9.035944
  H      -2.012844      4.517137      8.958681
  H      -5.160366      0.991120      9.516443
  H      -5.167708      2.759607      9.409002
  H      -2.979048      0.824602      8.497825
  H      -2.850934      1.953015      9.881575
  C      -1.921347     -5.421553      1.204467
  C      -1.809469     -4.055186      1.869702
  O      -0.700210     -3.617932      2.326606
  C      -3.063759     -3.230861      2.012689
  C      -4.287590     -3.549400      1.382990
  C      -5.421962     -2.749677      1.588168
  C      -5.336212     -1.660544      2.458736
  F      -6.452084     -0.911245      2.643940
  C      -4.130895     -1.314654      3.119069
  C      -4.092604     -0.260207      4.179255
  O      -5.034016     -0.116959      4.904373
  C      -2.807229      0.546370      4.336957
  C      -3.004867     -2.107381      2.852523
  C      -3.049800     11.355442      0.767968
  C      -2.651313     10.186828      1.625056
  O      -1.459147      9.888472      1.750111
  C      -3.736565      9.391996      2.308628
  C      -5.082425      9.734591      2.247857
  C      -6.048571      8.975488      2.914075
  C      -5.658251      7.870682      3.642621
  F      -6.631929      7.163753      4.275958
  C      -4.331806      7.477562      3.722637
  C      -3.827380      6.273212      4.465640
  O      -2.666408      5.876281      4.246839
  C      -4.746492      5.576427      5.464877
  C      -3.387544      8.267026      3.038102
  C      -6.934811     -5.593670      3.697134
  C      -6.200335     -4.644377      4.602564
  O      -4.999465     -4.748668      4.789424
  C      -6.980818     -3.562988      5.249028
  C      -8.355214     -3.390056      5.028612
  C      -9.035633     -2.334381      5.614340
  C      -8.326454     -1.439038      6.403909
  F      -9.010466     -0.411131      6.956083
  C      -6.960400     -1.574767      6.656972
  C      -6.105720     -0.589762      7.402976
  O      -5.074475     -0.986046      7.949959
  C      -6.499328      0.891755      7.386517
  C      -6.312355     -2.663375      6.073986
  H      -0.933394     -5.910373      1.216544
  H      -2.657288     -6.042710      1.739390
  H      -2.274989     -5.334229      0.164757
  H      -4.363921     -4.420711      0.727026
  H      -6.376888     -2.961956      1.093397
  H      -2.548075      0.986332      3.348386
  H      -2.012060     -0.206258      4.533027
  H      -2.049660     -1.899168      3.347891
  H      -3.594824     12.102973      1.368537
  H      -3.733669     11.018697     -0.033288
  H      -2.141332     11.821404      0.331700
  H      -5.389480     10.600680      1.683357
  H      -7.103593      9.220886      2.879930
  H      -5.213785      6.354039      6.094758
  H      -5.556196      5.112882      4.890022
  H      -2.342926      7.986011      3.082333
  H      -7.728620     -6.112962      4.225709
  H      -6.232295     -6.313712      3.306774
  H      -7.406668     -5.056056      2.874332
  H      -8.905077     -4.077445      4.393102
  H     -10.102107     -2.185255      5.463175
  H      -7.258860      1.032669      8.184638
  H      -6.995553      1.109289      6.431954
  H      -5.244488     -2.781260      6.236966
  N      -5.518150      2.663367      4.796550
87
Coordinates from ORCA-job orca E -6506.309336699647
  N      -2.803220      1.527195      5.461095
  Mo     -4.372814      2.621670      6.071501
  N      -5.363591      1.764500      7.575896
  C      -4.824495      1.829430      8.937397
  C      -3.301169      1.807566      8.915949
  N      -2.805659      2.819234      7.974088
  C      -1.512163      2.513377      7.355085
  C      -1.622920      1.394148      6.322270
  C      -2.916750      4.203958      8.443852
  C      -3.106215      5.128452      7.246073
  N      -4.101712      4.578758      6.322563
  H      -0.701201      1.426815      5.710054
  H      -1.628007      0.402445      6.819855
  H      -1.172476      3.425474      6.842963
  H      -0.745680      2.250427      8.112509
  H      -3.431040      6.123546      7.604711
  H      -2.148747      5.289020      6.719549
  H      -3.798472      4.267053      9.096446
  H      -2.034812      4.512012      9.038289
  H      -5.173523      0.977798      9.538111
  H      -5.190935      2.747987      9.438147
  H      -2.984855      0.822313      8.546941
  H      -2.882195      1.947108      9.931950
  C      -2.089597     -5.397170      1.145552
  C      -1.885360     -4.089337      1.822951
  O      -0.792633     -3.763849      2.222967
  C      -3.077016     -3.215568      2.011785
  C      -4.304913     -3.485073      1.399507
  C      -5.402078     -2.661756      1.614020
  C      -5.280411     -1.599486      2.482507
  F      -6.361158     -0.825312      2.672598
  C      -4.077513     -1.295751      3.136149
  C      -4.041702     -0.246091      4.207194
  O      -5.008707     -0.107490      4.948884
  C      -2.769982      0.568913      4.377060
  C      -2.976045     -2.111562      2.854106
  C      -3.063774     11.301117      0.671404
  C      -2.662207     10.133928      1.564334
  O      -1.451125      9.811699      1.719984
  C      -3.749768      9.365926      2.258127
  C      -5.107089      9.726973      2.158611
  C      -6.068356      8.990328      2.834003
  C      -5.666314      7.888310      3.609124
  F      -6.638035      7.204249      4.247050
  C      -4.326195      7.478133      3.728352
  C      -3.810969      6.277003      4.503503
  O      -2.633386      5.867969      4.312098
  C      -4.741764      5.590088      5.505449
  C      -3.389123      8.245496      3.034570
  C      -6.848649     -5.618274      3.609576
  C      -6.140582     -4.654472      4.546680
  O      -4.929756     -4.749292      4.731498
  C      -6.945435     -3.576339      5.221359
  C      -8.326186     -3.410604      5.003084
  C      -9.020174     -2.358561      5.613203
  C      -8.317593     -1.458945      6.417937
  F      -9.014485     -0.437080      6.987525
  C      -6.946262     -1.584816      6.668710
  C      -6.096411     -0.597005      7.418261
  O      -5.067644     -0.976525      7.955290
  C      -6.496013      0.888531      7.403658
  C      -6.286967     -2.671183      6.067654
  H      -1.150652     -5.932123      1.116057
  H      -2.828056     -5.980548      1.690376
  H      -2.461387     -5.256041      0.118496
  H      -4.411195     -4.341455      0.742793
  H      -6.358823     -2.837356      1.125831
  H      -2.513278      1.012767      3.404591
  H      -1.978939     -0.170993      4.563214
  H      -2.016032     -1.939179      3.338108
  H      -3.606702     12.075530      1.244825
  H      -3.742541     10.963047     -0.131576
  H      -2.162689     11.739956      0.226447
  H      -5.422636     10.589267      1.555850
  H      -7.122531      9.247744      2.774797
  H      -5.220413      6.371438      6.130070
  H      -5.548620      5.126073      4.916896
  H      -2.341338      7.949506      3.103606
  H      -7.652122     -6.173723      4.145296
  H      -6.112657     -6.336757      3.199043
  H      -7.323201     -5.064678      2.779265
  H      -8.869962     -4.100353      4.353034
  H     -10.090639     -2.214845      5.466077
  H      -7.258729      1.026341      8.200401
  H      -6.991082      1.112842      6.449585
  H      -5.214704     -2.783543      6.230228
  N      -5.497032      2.677442      4.820842
87
Coordinates from ORCA-job orca E -6506.309133537733
  N      -2.828562      1.530703      5.437754
  Mo     -4.405249      2.617173      6.058494
  N      -5.376772      1.763391      7.576449
  C      -4.822392      1.839003      8.933815
  C      -3.297758      1.828977      8.893448
  N      -2.819292      2.836730      7.934780
  C      -1.529979      2.538020      7.307128
  C      -1.646152      1.412031      6.291055
  C      -2.932651      4.223451      8.392439
  C      -3.136647      5.141058      7.190054
  N      -4.137966      4.581302      6.279559
  H      -0.731603      1.446738      5.678600
  H      -1.644434      0.428690      6.793683
  H      -1.202257      3.445233      6.783827
  H      -0.755841      2.291801      8.056745
  H      -3.462727      6.137067      7.544923
  H      -2.182346      5.302957      6.655971
  H      -3.811700      4.285452      9.050706
  H      -2.046793      4.539578      8.978655
  H      -5.160474      0.987875      9.541234
  H      -5.186927      2.755642      9.434186
  H      -2.982772      0.845582      8.524554
  H      -2.865119      1.977509      9.900570
  C      -1.993488     -5.407227      1.080514
  C      -1.865548     -4.057041      1.795443
  O      -0.802594     -3.681224      2.204999
  C      -3.084137     -3.219609      2.002042
  C      -4.304231     -3.519277      1.395721
  C      -5.409902     -2.719267      1.628775
  C      -5.300148     -1.645737      2.502591
  F      -6.389456     -0.895093      2.708139
  C      -4.100262     -1.312078      3.143092
  C      -4.063974     -0.256746      4.203836
  O      -5.048002     -0.133827      4.966145
  C      -2.792922      0.575457      4.355074
  C      -2.998328     -2.106546      2.855217
  C      -2.985215     11.317088      0.757288
  C      -2.600153     10.144517      1.615700
  O      -1.447360      9.826724      1.754372
  C      -3.692681      9.375524      2.291472
  C      -5.051402      9.751103      2.197242
  C      -6.042728      9.014818      2.844712
  C      -5.676493      7.906733      3.589914
  F      -6.684974      7.225187      4.196305
  C      -4.332201      7.482158      3.710486
  C      -3.848458      6.278226      4.470648
  O      -2.742811      5.888904      4.278820
  C      -4.775068      5.588941      5.464426
  C      -3.361802      8.247514      3.039644
  C      -6.881333     -5.627904      3.679649
  C      -6.160433     -4.664507      4.596937
  O      -4.948920     -4.757316      4.786349
  C      -6.953016     -3.588075      5.256985
  C      -8.334579     -3.426132      5.041381
  C      -9.019191     -2.381881      5.642811
  C      -8.311117     -1.486091      6.439445
  F      -9.002066     -0.470309      7.002680
  C      -6.939440     -1.605400      6.688443
  C      -6.091778     -0.611885      7.438001
  O      -5.061416     -0.983679      7.981356
  C      -6.501590      0.867795      7.419574
  C      -6.285297     -2.684411      6.093638
  H      -1.001106     -5.897997      1.041360
  H      -2.732140     -6.066911      1.609819
  H      -2.362541     -5.273732      0.054652
  H      -4.399137     -4.378757      0.729557
  H      -6.364685     -2.915960      1.151853
  H      -2.556149      1.034771      3.366103
  H      -1.975812     -0.162112      4.530204
  H      -2.041384     -1.913311      3.328778
  H      -3.514880     12.073322      1.343503
  H      -3.669293     11.009247     -0.043830
  H      -2.079988     11.750633      0.328692
  H      -5.339210     10.621978      1.614250
  H      -7.104470      9.277435      2.780435
  H      -5.250237      6.372144      6.093667
  H      -5.586995      5.122931      4.874839
  H      -2.312906      7.943237      3.107095
  H      -7.678537     -6.158595      4.212090
  H      -6.160034     -6.345832      3.286783
  H      -7.360903     -5.096196      2.848740
  H      -8.885387     -4.115363      4.398181
  H     -10.090985     -2.241042      5.497686
  H      -7.256930      1.002535      8.216235
  H      -7.006659      1.074757      6.467492
  H      -5.211601     -2.792980      6.254213
  N      -5.537098      2.658181      4.824881
87
Coordinates from ORCA-job orca E -6506.311780884066
  N      -2.823571      1.532505      5.433134
  Mo     -4.385569      2.612199      6.071738
  N      -5.354395      1.753099      7.585964
  C      -4.802062      1.809867      8.946163
  C      -3.278992      1.790740      8.908774
  N      -2.798731      2.807134      7.960170
  C      -1.511893      2.497673      7.326224
  C      -1.638146      1.378789      6.287839
  C      -2.904712      4.191949      8.432186
  C      -3.096696      5.117625      7.237708
  N      -4.096138      4.568156      6.318316
  H      -0.717923      1.401768      5.667008
  H      -1.651591      0.380834      6.782025
  H      -1.175273      3.411929      6.813079
  H      -0.741871      2.230018      8.077028
  H      -3.419564      6.110731      7.603489
  H      -2.142876      5.281351      6.705635
  H      -3.783767      4.256403      9.086719
  H      -2.021543      4.500533      9.025594
  H      -5.146402      0.952519      9.542792
  H      -5.165729      2.724426      9.460539
  H      -2.965817      0.805203      8.532979
  H      -2.847456      1.931001      9.920583
  C      -1.927780     -5.358266      1.210446
  C      -1.789857     -4.008636      1.860066
  O      -0.687389     -3.588499      2.324421
  C      -3.028419     -3.181525      1.987549
  C      -4.245613     -3.494891      1.346710
  C      -5.375952     -2.699895      1.552034
  C      -5.296196     -1.621045      2.440659
  F      -6.411027     -0.877338      2.629837
  C      -4.096481     -1.279322      3.112058
  C      -4.068153     -0.236760      4.187221
  O      -5.005808     -0.114344      4.934610
  C      -2.801260      0.590509      4.335339
  C      -2.970084     -2.065558      2.838554
  C      -3.085292     11.237582      0.675935
  C      -2.674873     10.084952      1.561442
  O      -1.515131      9.780183      1.687029
  C      -3.741993      9.318219      2.265690
  C      -5.102951      9.673400      2.184605
  C      -6.058688      8.941249      2.869315
  C      -5.651276      7.853556      3.634057
  F      -6.615245      7.173580      4.285720
  C      -4.312534      7.446944      3.732698
  C      -3.803315      6.255468      4.501455
  O      -2.671168      5.854638      4.311058
  C      -4.728523      5.577963      5.501774
  C      -3.375678      8.209437      3.030890
  C      -6.966311     -5.540669      3.600664
  C      -6.224010     -4.605222      4.523667
  O      -5.008236     -4.712604      4.678256
  C      -7.006520     -3.534591      5.227062
  C      -8.389890     -3.354984      5.048101
  C      -9.061849     -2.310165      5.676266
  C      -8.337433     -1.430843      6.461471
  F      -9.014378     -0.413037      7.053090
  C      -6.963038     -1.571925      6.674770
  C      -6.094825     -0.602512      7.413306
  O      -5.063500     -1.001616      7.930638
  C      -6.488460      0.881440      7.418632
  C      -6.324671     -2.650869      6.054300
  H      -0.962729     -5.856922      1.245963
  H      -2.670194     -5.942273      1.736404
  H      -2.276953     -5.279505      0.170856
  H      -4.320275     -4.359506      0.684032
  H      -6.325777     -2.907302      1.048605
  H      -2.576746      1.056539      3.352388
  H      -1.984478     -0.143690      4.493469
  H      -2.018703     -1.863858      3.342006
  H      -3.626202     12.008818      1.256158
  H      -3.771674     10.886518     -0.118197
  H      -2.187865     11.680982      0.230424
  H      -5.424137     10.527311      1.588995
  H      -7.118932      9.195818      2.822555
  H      -5.195257      6.362506      6.123964
  H      -5.540509      5.119485      4.923410
  H      -2.321784      7.918244      3.090225
  H      -7.749083     -6.096813      4.147386
  H      -6.252029     -6.251843      3.158758
  H      -7.465661     -4.966772      2.794346
  H      -8.951647     -4.029444      4.412074
  H     -10.134403     -2.156567      5.558299
  H      -7.241351      1.013527      8.227895
  H      -6.991255      1.114326      6.470016
  H      -5.249952     -2.773020      6.185976
  N      -5.517864      2.660753      4.842680
87
Coordinates from ORCA-job orca E -6506.310936931585
  N      -2.838609      1.550031      5.468457
  Mo     -4.416732      2.619399      6.109889
  N      -5.381167      1.753479      7.626367
  C      -4.830687      1.821391      8.985326
  C      -3.304709      1.817078      8.945129
  N      -2.829603      2.826721      7.989467
  C      -1.538321      2.528977      7.356535
  C      -1.658636      1.407977      6.327650
  C      -2.947057      4.211822      8.455444
  C      -3.148832      5.133912      7.257955
  N      -4.144558      4.577097      6.340802
  H      -0.740001      1.434292      5.716303
  H      -1.670394      0.421675      6.826215
  H      -1.207665      3.439172      6.839176
  H      -0.762701      2.271399      8.105856
  H      -3.479143      6.123150      7.617149
  H      -2.196487      5.300595      6.728600
  H      -3.827075      4.268611      9.110217
  H      -2.064712      4.526128      9.046268
  H      -5.163383      0.963960      9.586080
  H      -5.202928      2.732107      9.490699
  H      -2.982831      0.835101      8.578236
  H      -2.872073      1.966675      9.952733
  C      -2.026160     -5.320899      1.016465
  C      -1.869579     -4.005418      1.752850
  O      -0.773403     -3.645195      2.162344
  C      -3.090663     -3.162084      1.978138
  C      -4.315158     -3.444589      1.362059
  C      -5.431310     -2.640722      1.599913
  C      -5.328312     -1.581903      2.495049
  F      -6.421710     -0.823458      2.701376
  C      -4.125389     -1.269791      3.151527
  C      -4.085216     -0.233110      4.232598
  O      -5.017064     -0.116008      4.973179
  C      -2.821142      0.611920      4.368246
  C      -3.011727     -2.066824      2.850320
  C      -2.980133     11.196419      0.603818
  C      -2.617275     10.032986      1.512539
  O      -1.406624      9.692696      1.661932
  C      -3.716611      9.299353      2.233393
  C      -5.057200      9.683900      2.155874
  C      -6.031109      8.974181      2.853065
  C      -5.655590      7.878489      3.627438
  F      -6.637772      7.219303      4.287354
  C      -4.332754      7.447116      3.727119
  C      -3.840455      6.248324      4.509590
  O      -2.672522      5.827972      4.313782
  C      -4.773733      5.583906      5.518493
  C      -3.383051      8.186467      3.011828
  C      -6.826661     -5.587948      3.633052
  C      -6.117620     -4.637479      4.583900
  O      -4.914744     -4.726947      4.787953
  C      -6.920524     -3.574552      5.248625
  C      -8.297872     -3.420883      5.009118
  C      -8.995869     -2.386284      5.613079
  C      -8.301862     -1.490733      6.435433
  F      -9.002213     -0.483986      6.999730
  C      -6.933914     -1.604034      6.706117
  C      -6.095845     -0.610970      7.476218
  O      -5.067892     -0.986846      8.029291
  C      -6.507944      0.870063      7.460231
  C      -6.268108     -2.673722      6.109842
  H      -1.058194     -5.832850      0.948785
  H      -2.753385     -5.974025      1.555877
  H      -2.403375     -5.147060     -0.008245
  H      -4.403518     -4.293399      0.680125
  H      -6.383963     -2.826579      1.107850
  H      -2.620741      1.085139      3.388817
  H      -1.997083     -0.108889      4.509760
  H      -2.053787     -1.882355      3.333006
  H      -3.483099     11.985159      1.166247
  H      -3.671546     10.871056     -0.167826
  H      -2.078871     11.606822      0.133340
  H      -5.352290     10.543350      1.551533
  H      -7.077495      9.251361      2.809625
  H      -5.238630      6.381776      6.132197
  H      -5.585596      5.119208      4.942724
  H      -2.348878      7.871373      3.065485
  H      -7.630041     -6.134729      4.145815
  H      -6.105043     -6.295923      3.231388
  H      -7.288605     -5.038565      2.808666
  H      -8.834044     -4.109507      4.343630
  H     -10.064377     -2.251246      5.450188
  H      -7.268035      1.001360      8.257339
  H      -7.009252      1.088018      6.507351
  H      -5.197637     -2.778326      6.287482
  N      -5.541471      2.667144      4.881184
87
Coordinates from ORCA-job orca E -6506.311887392274
  N      -2.828375      1.577037      5.423966
  Mo     -4.412521      2.621865      6.078269
  N      -5.368112      1.736792      7.591915
  C      -4.812632      1.792577      8.947892
  C      -3.290048      1.801083      8.907571
  N      -2.823727      2.825247      7.959913
  C      -1.535211      2.538217      7.322737
  C      -1.647344      1.430322      6.281970
  C      -2.950758      4.206280      8.433133
  C      -3.156878      5.137603      7.240741
  N      -4.147239      4.581407      6.316674
  H      -0.723794      1.471597      5.670278
  H      -1.652660      0.430677      6.769710
  H      -1.208884      3.460227      6.815566
  H      -0.760196      2.273207      8.068193
  H      -3.495347      6.127739      7.607922
  H      -2.200030      5.317182      6.712223
  H      -3.834407      4.254742      9.088101
  H      -2.071855      4.522378      9.029174
  H      -5.136735      0.923427      9.540256
  H      -5.190542      2.694929      9.467999
  H      -2.961462      0.822421      8.533428
  H      -2.862997      1.947352      9.917097
  C      -1.975713     -5.338256      1.123584
  C      -1.830812     -3.999392      1.804973
  O      -0.748250     -3.626157      2.197790
  C      -3.054454     -3.163217      2.005118
  C      -4.290882     -3.468295      1.417603
  C      -5.402621     -2.675258      1.646148
  C      -5.282593     -1.607230      2.496350
  F      -6.379254     -0.863838      2.706008
  C      -4.070099     -1.266950      3.119560
  C      -4.033681     -0.213661      4.174348
  O      -5.006255     -0.124207      4.964663
  C      -2.790520      0.657035      4.306548
  C      -2.961087     -2.052616      2.834141
  C      -2.999312     11.229374      0.695231
  C      -2.591258     10.086375      1.592851
  O      -1.406638      9.766053      1.761017
  C      -3.687058      9.329334      2.271050
  C      -5.041967      9.692523      2.153722
  C      -6.030442      8.965096      2.805434
  C      -5.657861      7.871566      3.577774
  F      -6.664632      7.196473      4.185825
  C      -4.316884      7.459690      3.719526
  C      -3.827076      6.269252      4.504416
  O      -2.667680      5.871898      4.328506
  C      -4.774506      5.585107      5.491879
  C      -3.351112      8.218230      3.046251
  C      -6.946789     -5.593063      3.635093
  C      -6.194144     -4.650038      4.522158
  O      -4.975291     -4.752965      4.658051
  C      -6.974030     -3.585196      5.225639
  C      -8.365098     -3.422577      5.066750
  C      -9.046062     -2.387357      5.711097
  C      -8.320868     -1.499914      6.492297
  F      -9.007411     -0.493762      7.102304
  C      -6.938238     -1.621542      6.683545
  C      -6.075769     -0.639390      7.417370
  O      -5.029742     -1.018883      7.925507
  C      -6.490921      0.840720      7.427770
  C      -6.289330     -2.692589      6.046206
  H      -0.987874     -5.827850      1.091493
  H      -2.708255     -5.976453      1.662996
  H      -2.357303     -5.220086      0.102223
  H      -4.393615     -4.328650      0.772351
  H      -6.370083     -2.877699      1.183234
  H      -2.610612      1.151193      3.328028
  H      -1.942659     -0.051754      4.423494
  H      -1.994388     -1.854443      3.299527
  H      -3.568464     11.998432      1.260457
  H      -3.668121     10.880811     -0.133408
  H      -2.089277     11.664949      0.277004
  H      -5.338385     10.547327      1.550410
  H      -7.094374      9.221097      2.723266
  H      -5.255839      6.366867      6.115255
  H      -5.583734      5.124031      4.890003
  H      -2.303770      7.921291      3.130918
  H      -7.712345     -6.125372      4.204530
  H      -6.235892     -6.307167      3.207946
  H      -7.470484     -5.044492      2.826532
  H      -8.928839     -4.103905      4.440188
  H     -10.125141     -2.248624      5.612183
  H      -7.240804      0.959741      8.236607
  H      -7.005685      1.065352      6.483376
  H      -5.208741     -2.802118      6.164098
  N      -5.567210      2.678614      4.854229
87
Coordinates from ORCA-job orca E -6506.310493485680
  N      -2.863596      1.556261      5.463675
  Mo     -4.432249      2.611395      6.125478
  N      -5.382193      1.746404      7.650029
  C      -4.818005      1.809400      9.005830
  C      -3.294308      1.806303      8.951788
  N      -2.829920      2.817284      7.992375
  C      -1.546829      2.513628      7.349645
  C      -1.682601      1.395341      6.316485
  C      -2.938864      4.202391      8.459044
  C      -3.140114      5.124083      7.263061
  N      -4.141238      4.571370      6.348460
  H      -0.766270      1.413846      5.699078
  H      -1.702477      0.403633      6.809637
  H      -1.216073      3.424080      6.833169
  H      -0.769909      2.251504      8.093264
  H      -3.465857      6.115799      7.627253
  H      -2.188874      5.289200      6.729349
  H      -3.817320      4.264287      9.115556
  H      -2.054421      4.515729      9.049777
  H      -5.146207      0.947932      9.603196
  H      -5.185827      2.717502      9.525229
  H      -2.976686      0.822540      8.578759
  H      -2.851841      1.957187      9.957467
  C      -1.990630     -5.294101      1.069174
  C      -1.843510     -3.964366      1.771065
  O      -0.766175     -3.575778      2.228264
  C      -3.063908     -3.135527      1.944587
  C      -4.272836     -3.434170      1.305415
  C      -5.395447     -2.645304      1.545049
  C      -5.313783     -1.584400      2.463392
  F      -6.421907     -0.845277      2.686273
  C      -4.119461     -1.253708      3.129114
  C      -4.091827     -0.221473      4.221522
  O      -5.036371     -0.126259      5.003902
  C      -2.845999      0.638353      4.349492
  C      -3.000140     -2.034865      2.827161
  C      -2.979991     11.167446      0.598874
  C      -2.608644     10.008887      1.488314
  O      -1.471289      9.683761      1.605722
  C      -3.694716      9.272409      2.213717
  C      -5.049641      9.664363      2.137605
  C      -6.024014      8.963289      2.841731
  C      -5.645803      7.872486      3.621934
  F      -6.628743      7.225648      4.290492
  C      -4.313749      7.429379      3.719240
  C      -3.830373      6.236091      4.506512
  O      -2.737368      5.820430      4.319638
  C      -4.760902      5.584334      5.519890
  C      -3.357194      8.160197      2.995471
  C      -6.840763     -5.563253      3.578210
  C      -6.138617     -4.610574      4.545791
  O      -4.926717     -4.690771      4.738736
  C      -6.947317     -3.559328      5.248203
  C      -8.329361     -3.406511      5.042842
  C      -9.023065     -2.382101      5.682458
  C      -8.321642     -1.494117      6.501993
  F      -9.019556     -0.496932      7.099516
  C      -6.948030     -1.605197      6.735895
  C      -6.099735     -0.621026      7.492908
  O      -5.069257     -0.998194      8.018859
  C      -6.510688      0.858946      7.494171
  C      -6.287823     -2.666363      6.109228
  H      -1.034463     -5.797476      1.073740
  H      -2.730244     -5.894305      1.578743
  H      -2.341975     -5.176061      0.035192
  H      -4.349072     -4.284813      0.616287
  H      -6.342029     -2.842299      1.046237
  H      -2.677381      1.134348      3.371675
  H      -2.001485     -0.068069      4.458481
  H      -2.052164     -1.842933      3.325636
  H      -3.490749     11.951208      1.174337
  H      -3.680411     10.839416     -0.186835
  H      -2.066747     11.582038      0.141454
  H      -5.345485     10.521723      1.530121
  H      -7.075644      9.244197      2.798769
  H      -5.214253      6.386348      6.132585
  H      -5.581174      5.130650      4.949906
  H      -2.308746      7.841282      3.051784
  H      -7.640123     -6.144492      4.088663
  H      -6.102568     -6.257050      3.147822
  H      -7.318514     -5.001182      2.768282
  H      -8.874360     -4.087055      4.379356
  H     -10.095426     -2.250121      5.547070
  H      -7.259995      0.985014      8.302810
  H      -7.021055      1.079690      6.548593
  H      -5.214181     -2.766932      6.259193
  N      -5.573077      2.651120      4.895905
87
Coordinates from ORCA-job orca E -6506.313515359912
  N      -2.849453      1.576769      5.440643
  Mo     -4.428410      2.615023      6.114579
  N      -5.374857      1.734062      7.630772
  C      -4.820677      1.785768      8.986865
  C      -3.298563      1.792025      8.944507
  N      -2.832013      2.808850      7.993185
  C      -1.547812      2.512660      7.350690
  C      -1.673385      1.406501      6.301075
  C      -2.949688      4.191469      8.466568
  C      -3.147577      5.122695      7.276392
  N      -4.140141      4.571574      6.352411
  H      -0.750033      1.434005      5.691522
  H      -1.697024      0.407448      6.785568
  H      -1.215896      3.432768      6.847660
  H      -0.774696      2.236379      8.094171
  H      -3.479491      6.109994      7.645680
  H      -2.194440      5.297125      6.748763
  H      -3.830337      4.245621      9.118305
  H      -2.071145      4.503162      9.063306
  H      -5.145146      0.916487      9.574358
  H      -5.197935      2.686717      9.508076
  H      -2.972627      0.811788      8.574839
  H      -2.866207      1.942193      9.952154
  C      -1.915831     -5.267093      1.049793
  C      -1.782953     -3.940498      1.763695
  O      -0.680522     -3.539240      2.170307
  C      -3.035413     -3.126617      1.974816
  C      -4.264152     -3.441782      1.362111
  C      -5.400159     -2.659369      1.588346
  C      -5.312337     -1.587940      2.473691
  F      -6.423102     -0.851381      2.672190
  C      -4.105394     -1.245804      3.128142
  C      -4.076243     -0.209485      4.205320
  O      -4.991145     -0.120004      4.961489
  C      -2.834691      0.672464      4.314158
  C      -2.973790     -2.020748      2.835320
  C      -2.985768     11.133374      0.601074
  C      -2.618326      9.984839      1.514729
  O      -1.438947      9.657981      1.662111
  C      -3.704402      9.258022      2.233513
  C      -5.057989      9.637140      2.142692
  C      -6.028533      8.933573      2.835201
  C      -5.644030      7.851164      3.615640
  F      -6.622808      7.196560      4.271191
  C      -4.310199      7.424573      3.728156
  C      -3.818954      6.237685      4.516043
  O      -2.681029      5.828304      4.340175
  C      -4.760871      5.577742      5.516828
  C      -3.360823      8.157014      3.017939
  C      -6.927611     -5.541385      3.630297
  C      -6.190509     -4.599711      4.542088
  O      -4.975959     -4.688914      4.677086
  C      -6.979236     -3.547455      5.250760
  C      -8.363836     -3.388261      5.084956
  C      -9.042371     -2.362101      5.714457
  C      -8.324598     -1.480230      6.492945
  F      -9.008464     -0.479964      7.086898
  C      -6.951404     -1.601150      6.701245
  C      -6.096751     -0.622746      7.447599
  O      -5.054040     -1.020868      7.975628
  C      -6.502055      0.857033      7.458213
  C      -6.303331     -2.661548      6.073933
  H      -0.933949     -5.763128      0.986106
  H      -2.625293     -5.921597      1.600110
  H      -2.307594     -5.108081      0.027756
  H      -4.338907     -4.299137      0.691538
  H      -6.356190     -2.869482      1.099636
  H      -2.693898      1.183967      3.336400
  H      -1.972298     -0.023379      4.397532
  H      -2.012957     -1.814971      3.317981
  H      -3.483799     11.925039      1.149411
  H      -3.675963     10.801861     -0.158686
  H      -2.095125     11.536838      0.132821
  H      -5.362500     10.486358      1.531526
  H      -7.081346      9.205550      2.782679
  H      -5.227497      6.374458      6.130748
  H      -5.576013      5.119713      4.932209
  H      -2.318285      7.844768      3.081307
  H      -7.695952     -6.106054      4.178426
  H      -6.210279     -6.240105      3.186666
  H      -7.441428     -4.976599      2.836827
  H      -8.920291     -4.065776      4.454540
  H     -10.115333     -2.223505      5.604769
  H      -7.258219      0.980336      8.262036
  H      -7.006190      1.090243      6.512346
  H      -5.228420     -2.769715      6.198265
  N      -5.586136      2.675910      4.909957
87
Coordinates from ORCA-job orca E -6506.311413373907
  N      -2.842759      1.599057      5.465372
  Mo     -4.433027      2.622505      6.143056
  N      -5.372399      1.728245      7.663645
  C      -4.811455      1.787070      9.021417
  C      -3.285598      1.807111      8.967847
  N      -2.833259      2.829044      8.010411
  C      -1.543872      2.545696      7.364480
  C      -1.667151      1.436577      6.323508
  C      -2.966365      4.211184      8.483904
  C      -3.180099      5.141238      7.292202
  N      -4.170011      4.579988      6.371132
  H      -0.748003      1.465995      5.713790
  H      -1.684657      0.444677      6.809251
  H      -1.219069      3.463004      6.854790
  H      -0.763544      2.282220      8.106145
  H      -3.524354      6.125622      7.660984
  H      -2.226670      5.325303      6.762881
  H      -3.850442      4.252895      9.140031
  H      -2.087924      4.532473      9.078786
  H      -5.125162      0.913703      9.613177
  H      -5.195289      2.684476      9.545681
  H      -2.949445      0.829755      8.594981
  H      -2.848673      1.960982      9.973168
  C      -1.986365     -5.261254      1.012438
  C      -1.841177     -3.942477      1.748838
  O      -0.755876     -3.569700      2.177847
  C      -3.060517     -3.110491      1.965110
  C      -4.281082     -3.398403      1.349691
  C      -5.391535     -2.604927      1.592515
  C      -5.287026     -1.552359      2.489553
  F      -6.378183     -0.803548      2.711247
  C      -4.087610     -1.232529      3.138271
  C      -4.053591     -0.198480      4.223388
  O      -4.993230     -0.125806      5.012418
  C      -2.822085      0.699769      4.331402
  C      -2.978465     -2.017812      2.835205
  C      -2.982731     11.083945      0.543236
  C      -2.582098      9.957587      1.480571
  O      -1.388144      9.621462      1.640964
  C      -3.683473      9.237253      2.209790
  C      -5.021456      9.622471      2.118105
  C      -6.009375      8.929468      2.821165
  C      -5.648143      7.846688      3.617404
  F      -6.647984      7.203327      4.277935
  C      -4.326908      7.414102      3.733511
  C      -3.847745      6.228634      4.542541
  O      -2.668788      5.803484      4.359832
  C      -4.787643      5.578561      5.547670
  C      -3.361024      8.138623      3.011135
  C      -6.906647     -5.545722      3.566966
  C      -6.167195     -4.618827      4.514628
  O      -4.950730     -4.717851      4.686393
  C      -6.954833     -3.568745      5.224770
  C      -8.344723     -3.412478      5.025322
  C      -9.034532     -2.391733      5.678627
  C      -8.317335     -1.510560      6.507243
  F      -9.008894     -0.517324      7.120610
  C      -6.934630     -1.626201      6.733806
  C      -6.075056     -0.648442      7.499634
  O      -5.053092     -1.015793      8.017442
  C      -6.494334      0.831763      7.503624
  C      -6.278384     -2.683539      6.091977
  H      -1.010369     -5.756420      0.969221
  H      -2.720151     -5.910054      1.528016
  H      -2.353388     -5.110694     -0.011948
  H      -4.373115     -4.244599      0.669619
  H      -6.344278     -2.795020      1.106588
  H      -2.698602      1.221142      3.358875
  H      -1.951003      0.017891      4.402253
  H      -2.023557     -1.829423      3.318004
  H      -3.538265     11.896400      1.095605
  H      -3.667258     10.707437     -0.265004
  H      -2.068777     11.493537      0.087000
  H      -5.307046     10.469729      1.496458
  H      -7.058881      9.208255      2.762908
  H      -5.248897      6.380558      6.153507
  H      -5.596279      5.114086      4.972963
  H      -2.326178      7.822907      3.077353
  H      -7.692511     -6.093182      4.102398
  H      -6.193721     -6.248959      3.133960
  H      -7.403159     -4.979623      2.756020
  H      -8.899547     -4.089105      4.356773
  H     -10.113201     -2.257379      5.550145
  H      -7.244823      0.950764      8.312831
  H      -7.010027      1.052755      6.556419
  H      -5.198849     -2.789704      6.238593
  N      -5.566242      2.665512      4.923753
87
Coordinates from ORCA-job orca E -6506.312630240671
  N      -2.874741      1.599728      5.447429
  Mo     -4.450662      2.619158      6.129832
  N      -5.391179      1.734568      7.650298
  C      -4.828102      1.788491      9.002711
  C      -3.305305      1.800055      8.951874
  N      -2.848603      2.816003      7.998505
  C      -1.565201      2.520609      7.351022
  C      -1.698055      1.416518      6.305839
  C      -2.966678      4.196056      8.472399
  C      -3.166226      5.124963      7.283479
  N      -4.158161      4.576414      6.359962
  H      -0.772519      1.438196      5.692882
  H      -1.725787      0.414900      6.791413
  H      -1.233762      3.440291      6.846415
  H      -0.787455      2.244439      8.092048
  H      -3.498368      6.113349      7.652277
  H      -2.211788      5.299211      6.756888
  H      -3.849995      4.249932      9.123618
  H      -2.088198      4.508255      9.072129
  H      -5.145197      0.916030      9.589626
  H      -5.204924      2.685820      9.533563
  H      -2.977368      0.819626      8.581224
  H      -2.869262      1.955083      9.958470
  C      -2.009630     -5.253574      1.063314
  C      -1.851638     -3.925916      1.747994
  O      -0.776257     -3.559324      2.153661
  C      -3.069130     -3.094022      1.948500
  C      -4.297996     -3.392870      1.346178
  C      -5.419177     -2.608430      1.599777
  C      -5.313883     -1.554723      2.488705
  F      -6.424819     -0.820416      2.731011
  C      -4.104149     -1.220262      3.119421
  C      -4.071523     -0.184036      4.197500
  O      -5.027016     -0.116952      5.011781
  C      -2.854975      0.713944      4.309559
  C      -2.986131     -1.995787      2.809117
  C      -2.921555     11.144857      0.618840
  C      -2.579688      9.979511      1.491057
  O      -1.400161      9.644608      1.628600
  C      -3.686425      9.247594      2.198019
  C      -5.044152      9.637529      2.103679
  C      -6.021007      8.944733      2.797732
  C      -5.638861      7.860638      3.586490
  F      -6.625450      7.222481      4.244065
  C      -4.304412      7.419407      3.701084
  C      -3.816444      6.230729      4.498297
  O      -2.688972      5.800405      4.317352
  C      -4.768620      5.587724      5.513790
  C      -3.349233      8.142224      2.985397
  C      -6.840034     -5.581005      3.592655
  C      -6.122273     -4.627111      4.528291
  O      -4.914501     -4.702653      4.693610
  C      -6.925490     -3.585546      5.244719
  C      -8.309836     -3.449725      5.066967
  C      -9.010651     -2.434556      5.723834
  C      -8.311295     -1.536396      6.530841
  F      -9.017156     -0.549200      7.149475
  C      -6.933757     -1.631089      6.735724
  C      -6.093680     -0.637300      7.481167
  O      -5.035304     -1.016191      8.009081
  C      -6.514544      0.838237      7.490371
  C      -6.266334     -2.685056      6.093081
  H      -1.038471     -5.747674      1.045079
  H      -2.742070     -5.868807      1.590062
  H      -2.386119     -5.136865      0.044710
  H      -4.391459     -4.242580      0.676248
  H      -6.383365     -2.806735      1.130237
  H      -2.744161      1.237115      3.347154
  H      -1.986989      0.044872      4.365742
  H      -2.023804     -1.802225      3.283294
  H      -3.412335     11.913548      1.188215
  H      -3.625915     10.841309     -0.168388
  H      -1.998156     11.553694      0.168965
  H      -5.341137     10.488792      1.491186
  H      -7.080896      9.224612      2.739342
  H      -5.230392      6.395529      6.122431
  H      -5.591671      5.136662      4.929463
  H      -2.296777      7.824083      3.054872
  H      -7.614545     -6.155539      4.127387
  H      -6.116259     -6.272928      3.154623
  H      -7.341404     -5.023528      2.795040
  H      -8.853389     -4.138182      4.416176
  H     -10.085225     -2.316881      5.613049
  H      -7.264530      0.954201      8.298285
  H      -7.028108      1.060317      6.547600
  H      -5.190316     -2.773784      6.220697
  N      -5.598803      2.668585      4.899664
87
Coordinates from ORCA-job orca E -6506.311482471498
  N      -2.865909      1.589232      5.445706
  Mo     -4.446824      2.609747      6.131545
  N      -5.379170      1.720900      7.652725
  C      -4.816453      1.772722      9.006599
  C      -3.293807      1.788265      8.955922
  N      -2.836580      2.806521      7.996879
  C      -1.555175      2.512584      7.352236
  C      -1.693212      1.407325      6.309677
  C      -2.956857      4.187773      8.470248
  C      -3.164141      5.120955      7.282998
  N      -4.160252      4.569025      6.362860
  H      -0.770833      1.422462      5.703307
  H      -1.730168      0.413126      6.796367
  H      -1.224052      3.429393      6.846407
  H      -0.780901      2.240296      8.090447
  H      -3.499535      6.106424      7.656047
  H      -2.213031      5.299813      6.751741
  H      -3.836634      4.236912      9.124579
  H      -2.077721      4.501633      9.064875
  H      -5.133004      0.898266      9.592131
  H      -5.197791      2.668338      9.533665
  H      -2.964329      0.808579      8.586484
  H      -2.855305      1.943549      9.960910
  C      -1.905383     -5.242067      1.037680
  C      -1.781462     -3.916313      1.754508
  O      -0.684241     -3.509224      2.176921
  C      -3.032283     -3.107387      1.959444
  C      -4.256431     -3.418974      1.340890
  C      -5.391935     -2.641972      1.578848
  C      -5.306008     -1.580622      2.477395
  F      -6.414078     -0.849468      2.691478
  C      -4.103604     -1.241156      3.134826
  C      -4.077204     -0.210414      4.218332
  O      -4.983021     -0.136893      4.988731
  C      -2.852900      0.696716      4.309782
  C      -2.972426     -2.009404      2.831926
  C      -2.984537     11.090464      0.543829
  C      -2.590600      9.952812      1.473736
  O      -1.451993      9.615522      1.603840
  C      -3.666781      9.246284      2.217789
  C      -5.011116      9.652523      2.144795
  C      -5.993806      8.967390      2.855253
  C      -5.630882      7.877415      3.637302
  F      -6.630382      7.241271      4.305970
  C      -4.299676      7.424193      3.735413
  C      -3.831043      6.231245      4.519715
  O      -2.732018      5.818554      4.337141
  C      -4.773317      5.581832      5.530446
  C      -3.337109      8.139868      3.006577
  C      -6.910632     -5.537056      3.601084
  C      -6.183485     -4.599700      4.532654
  O      -4.963082     -4.688029      4.677932
  C      -6.979146     -3.552383      5.248468
  C      -8.366809     -3.391174      5.083266
  C      -9.049437     -2.370683      5.728437
  C      -8.332982     -1.496144      6.517301
  F      -9.018995     -0.501663      7.124903
  C      -6.956520     -1.617172      6.720918
  C      -6.101540     -0.642178      7.473752
  O      -5.067146     -1.037577      7.993340
  C      -6.506161      0.837471      7.488465
  C      -6.304843     -2.673200      6.080464
  H      -0.926660     -5.736145      0.991299
  H      -2.616388     -5.888628      1.576142
  H      -2.287579     -5.089327      0.009051
  H      -4.329489     -4.268756      0.660663
  H      -6.344322     -2.848869      1.088394
  H      -2.756135      1.228288      3.336005
  H      -1.966169      0.024287      4.358306
  H      -2.015178     -1.805745      3.317539
  H      -3.489131     11.911418      1.089128
  H      -3.687939     10.740095     -0.210129
  H      -2.099558     11.476899      0.063945
  H      -5.300711     10.507104      1.531873
  H      -7.040868      9.259720      2.813680
  H      -5.222229      6.385800      6.145469
  H      -5.601435      5.132067      4.953695
  H      -2.305094      7.807703      3.054713
  H      -7.686073     -6.109712      4.136213
  H      -6.181495     -6.230275      3.153704
  H      -7.418649     -4.970626      2.806763
  H      -8.922774     -4.061737      4.445319
  H     -10.125103     -2.232937      5.620574
  H      -7.253871      0.958207      8.300165
  H      -7.020803      1.068967      6.545917
  H      -5.228308     -2.781555      6.205421
  N      -5.617332      2.654983      4.924016
87
Coordinates from ORCA-job orca E -6506.315687477132
  N      -2.860128      1.627009      5.447649
  Mo     -4.451087      2.624149      6.163629
  N      -5.367712      1.715195      7.691744
  C      -4.796273      1.758971      9.046154
  C      -3.270846      1.783845      8.982717
  N      -2.833307      2.812653      8.025439
  C      -1.547675      2.531830      7.359533
  C      -1.681399      1.432614      6.300024
  C      -2.966999      4.192920      8.511372
  C      -3.184353      5.134679      7.328005
  N      -4.176176      4.579391      6.405527
  H      -0.758970      1.456832      5.683494
  H      -1.708953      0.428083      6.778531
  H      -1.225899      3.459130      6.857325
  H      -0.761118      2.250675      8.093749
  H      -3.528106      6.117087      7.708589
  H      -2.232717      5.325556      6.794823
  H      -3.850392      4.228961      9.168853
  H      -2.089646      4.509565      9.109288
  H      -5.101152      0.877199      9.629719
  H      -5.179797      2.648724      9.586946
  H      -2.931468      0.807975      8.605073
  H      -2.828700      1.936972      9.986820
  C      -1.901082     -5.187748      1.002502
  C      -1.778915     -3.870126      1.750295
  O      -0.693745     -3.475062      2.199843
  C      -3.023664     -3.060797      1.957052
  C      -4.240239     -3.369655      1.328082
  C      -5.376032     -2.596605      1.570139
  C      -5.297175     -1.540685      2.478933
  F      -6.410618     -0.813047      2.700471
  C      -4.096563     -1.199893      3.134764
  C      -4.069963     -0.170469      4.219272
  O      -4.982397     -0.118126      5.016070
  C      -2.856420      0.761195      4.289943
  C      -2.968147     -1.966220      2.836037
  C      -2.930321     10.994558      0.526892
  C      -2.592053      9.853666      1.451843
  O      -1.420359      9.508557      1.612743
  C      -3.710101      9.151868      2.175011
  C      -5.056254      9.550071      2.071678
  C      -6.035428      8.883410      2.787323
  C      -5.667452      7.815696      3.601591
  F      -6.647564      7.200183      4.281232
  C      -4.347624      7.367914      3.724682
  C      -3.864896      6.196756      4.557285
  O      -2.718891      5.759422      4.382563
  C      -4.790793      5.575229      5.573909
  C      -3.387028      8.065359      2.991245
  C      -6.965049     -5.487795      3.557554
  C      -6.208771     -4.578039      4.498712
  O      -4.991744     -4.684806      4.647106
  C      -6.983173     -3.537212      5.232183
  C      -8.371350     -3.370280      5.059972
  C      -9.040551     -2.358834      5.722338
  C      -8.309085     -1.497841      6.534135
  F      -8.981333     -0.510492      7.155994
  C      -6.930886     -1.623816      6.740678
  C      -6.065825     -0.658369      7.503734
  O      -5.029994     -1.043789      8.014022
  C      -6.487429      0.821889      7.530663
  C      -6.292829     -2.672173      6.087970
  H      -0.920282     -5.670909      0.969872
  H      -2.639742     -5.844881      1.505059
  H      -2.255420     -5.037604     -0.029866
  H      -4.309143     -4.217061      0.639200
  H      -6.326582     -2.803709      1.075455
  H      -2.803314      1.316126      3.319563
  H      -1.950995      0.107432      4.298258
  H      -2.014238     -1.761581      3.326310
  H      -3.457137     11.782789      1.085481
  H      -3.616749     10.665854     -0.280080
  H      -1.994605     11.392663      0.079345
  H      -5.341269     10.389732      1.437414
  H      -7.077932      9.173864      2.728744
  H      -5.240520      6.391342      6.169746
  H      -5.603251      5.113239      5.012966
  H      -2.341824      7.741788      3.070769
  H      -7.742645     -6.044937      4.099601
  H      -6.257127     -6.184215      3.104004
  H      -7.474400     -4.908238      2.760039
  H      -8.937967     -4.031432      4.402393
  H     -10.115990     -2.215996      5.612095
  H      -7.232710      0.931278      8.349339
  H      -7.010628      1.054821      6.591266
  H      -5.215485     -2.786566      6.216640
  N      -5.595417      2.680063      4.960697
87
Coordinates from ORCA-job orca E -6506.312890910807
  N      -2.887515      1.610526      5.469804
  Mo     -4.465096      2.614101      6.158449
  N      -5.400065      1.728872      7.674467
  C      -4.836480      1.785845      9.025837
  C      -3.315406      1.803567      8.975252
  N      -2.857887      2.812596      8.017896
  C      -1.580007      2.515349      7.378182
  C      -1.726778      1.413829      6.339040
  C      -2.974406      4.191899      8.486762
  C      -3.175841      5.118022      7.298742
  N      -4.171773      4.571971      6.377583
  H      -0.805949      1.417610      5.741358
  H      -1.777846      0.426836      6.822107
  H      -1.243008      3.424907      6.874578
  H      -0.807473      2.242303      8.117046
  H      -3.507236      6.102250      7.667229
  H      -2.225040      5.290069      6.772944
  H      -3.856421      4.245555      9.135487
  H      -2.096183      4.505819      9.085567
  H      -5.150750      0.913878      9.611230
  H      -5.216383      2.679466      9.553963
  H      -2.986081      0.824444      8.611910
  H      -2.878515      1.966239      9.978460
  C      -2.006095     -5.231455      1.001588
  C      -1.855486     -3.914289      1.726255
  O      -0.776497     -3.553294      2.152055
  C      -3.068280     -3.082236      1.941107
  C      -4.289925     -3.368553      1.326504
  C      -5.400154     -2.582607      1.578591
  C      -5.295262     -1.541330      2.484083
  F      -6.390245     -0.802549      2.722460
  C      -4.095938     -1.219775      3.131738
  C      -4.067387     -0.188974      4.221982
  O      -5.000312     -0.138652      5.035195
  C      -2.871490      0.740203      4.319271
  C      -2.984254     -1.995917      2.817865
  C      -2.972353     11.065083      0.510461
  C      -2.559387      9.935262      1.430783
  O      -1.364993      9.588485      1.561046
  C      -3.641737      9.232659      2.189610
  C      -4.982224      9.634038      2.127955
  C      -5.969342      8.953308      2.849072
  C      -5.604948      7.867215      3.633254
  F      -6.614714      7.234760      4.308133
  C      -4.276326      7.418985      3.720642
  C      -3.802217      6.227312      4.509535
  O      -2.655465      5.787679      4.314826
  C      -4.769716      5.592529      5.532377
  C      -3.312257      8.132138      2.980951
  C      -6.808463     -5.551346      3.550541
  C      -6.103763     -4.604921      4.508511
  O      -4.897230     -4.675846      4.672732
  C      -6.918655     -3.575422      5.241401
  C      -8.305864     -3.446839      5.062511
  C      -9.021536     -2.441712      5.736493
  C      -8.330865     -1.544536      6.558877
  F      -9.050047     -0.567213      7.194506
  C      -6.949050     -1.632087      6.762458
  C      -6.111744     -0.636980      7.515246
  O      -5.069065     -1.009830      8.044473
  C      -6.526000      0.835980      7.517181
  C      -6.269067     -2.678154      6.107509
  H      -1.037789     -5.730907      0.973232
  H      -2.740706     -5.861384      1.512088
  H      -2.368680     -5.086898     -0.023468
  H      -4.382970     -4.208090      0.641754
  H      -6.354768     -2.771581      1.094764
  H      -2.807803      1.283714      3.369145
  H      -1.984893      0.100631      4.337147
  H      -2.026336     -1.808652      3.297275
  H      -3.471308     11.894565      1.052222
  H      -3.688407     10.693967     -0.234325
  H      -2.095723     11.453817      0.019232
  H      -5.275118     10.481745      1.512784
  H      -7.030138      9.242126      2.808792
  H      -5.214339      6.406044      6.142205
  H      -5.607453      5.150095      4.948812
  H      -2.281692      7.802259      3.019566
  H      -7.581528     -6.140295      4.072257
  H      -6.077135     -6.234386      3.099646
  H      -7.307349     -4.983353      2.763046
  H      -8.841350     -4.132807      4.397778
  H     -10.100069     -2.331556      5.626114
  H      -7.271456      0.956972      8.323928
  H      -7.041549      1.054686      6.574863
  H      -5.191843     -2.762636      6.240651
  N      -5.619097      2.652624      4.932590
87
Coordinates from ORCA-job orca E -6506.315397177984
  N      -2.900515      1.641336      5.434808
  Mo     -4.484738      2.626026      6.158361
  N      -5.397669      1.706550      7.684898
  C      -4.826285      1.745006      9.037013
  C      -3.302910      1.774786      8.973823
  N      -2.862966      2.806212      8.018882
  C      -1.581809      2.519633      7.354253
  C      -1.725150      1.426183      6.291981
  C      -2.989350      4.185736      8.505645
  C      -3.199647      5.126203      7.324323
  N      -4.197178      4.581570      6.400787
  H      -0.798201      1.442712      5.675649
  H      -1.768632      0.416403      6.766759
  H      -1.254361      3.449247      6.857632
  H      -0.801397      2.229277      8.084636
  H      -3.533322      6.111365      7.703773
  H      -2.247942      5.307480      6.792256
  H      -3.870391      4.228191      9.162756
  H      -2.110158      4.497335      9.103418
  H      -5.127725      0.857425      9.614120
  H      -5.213862      2.630146      9.582957
  H      -2.963082      0.797560      8.596656
  H      -2.862889      1.928287      9.979106
  C      -1.948626     -5.174824      1.026516
  C      -1.802866     -3.859678      1.699929
  O      -0.712849     -3.474584      2.058863
  C      -3.043939     -3.052385      1.932888
  C      -4.282284     -3.369208      1.352071
  C      -5.422342     -2.603983      1.617432
  C      -5.326023     -1.548167      2.504056
  F      -6.448323     -0.827613      2.756224
  C      -4.109992     -1.199194      3.121768
  C      -4.084831     -0.165544      4.203584
  O      -4.998934     -0.122570      5.026079
  C      -2.899589      0.788322      4.266154
  C      -2.972160     -1.956147      2.794697
  C      -2.900259     11.036522      0.493928
  C      -2.547395      9.886756      1.424119
  O      -1.389934      9.519769      1.554527
  C      -3.641604      9.207539      2.180647
  C      -4.969796      9.641057      2.112346
  C      -5.955604      8.984574      2.841180
  C      -5.608855      7.896507      3.637295
  F      -6.609963      7.290591      4.324343
  C      -4.299396      7.415466      3.729336
  C      -3.846991      6.219761      4.530620
  O      -2.737647      5.776546      4.336820
  C      -4.803631      5.597758      5.563146
  C      -3.333749      8.102551      2.981787
  C      -6.856840     -5.569121      3.619527
  C      -6.127811     -4.622795      4.542460
  O      -4.904197     -4.696478      4.709719
  C      -6.931924     -3.587702      5.241508
  C      -8.326193     -3.450994      5.061925
  C      -9.024527     -2.444758      5.709072
  C      -8.315460     -1.557696      6.515066
  F      -9.017575     -0.578978      7.125817
  C      -6.930147     -1.653618      6.725354
  C      -6.080573     -0.670181      7.484817
  O      -5.033784     -1.041567      7.984636
  C      -6.517083      0.806702      7.524966
  C      -6.262756     -2.697030      6.081661
  H      -0.961402     -5.659326      0.962965
  H      -2.634835     -5.806678      1.588387
  H      -2.376128     -5.038482      0.025916
  H      -4.365986     -4.216295      0.681343
  H      -6.390257     -2.817919      1.158477
  H      -2.889754      1.353151      3.314042
  H      -1.988085      0.168183      4.237909
  H      -2.006330     -1.746897      3.257537
  H      -3.385516     11.845508      1.045387
  H      -3.617731     10.716450     -0.278840
  H      -1.984106     11.410444      0.015081
  H      -5.243618     10.495159      1.489030
  H      -6.997600      9.299055      2.801662
  H      -5.237727      6.417410      6.171907
  H      -5.644326      5.158891      4.989617
  H      -2.310221      7.749427      3.028838
  H      -7.634936     -6.127160      4.153804
  H      -6.128573     -6.257722      3.196906
  H      -7.366442     -5.026767      2.815360
  H      -8.877434     -4.131875      4.415230
  H     -10.105798     -2.327097      5.593864
  H      -7.258208      0.903641      8.348296
  H      -7.046419      1.042787      6.592389
  H      -5.179199     -2.787028      6.213438
  N      -5.652728      2.690634      4.955854
87
Coordinates from ORCA-job orca E -6506.312896955858
  N      -2.855939      1.638868      5.451840
  Mo     -4.450624      2.617756      6.171554
  N      -5.361841      1.709446      7.699705
  C      -4.788741      1.761048      9.050452
  C      -3.264854      1.790980      8.988385
  N      -2.826709      2.811241      8.025294
  C      -1.545025      2.526653      7.364616
  C      -1.689177      1.430540      6.312233
  C      -2.958153      4.189823      8.505277
  C      -3.179423      5.130427      7.324633
  N      -4.173526      4.573229      6.409861
  H      -0.766001      1.440718      5.706251
  H      -1.735737      0.432922      6.791227
  H      -1.218207      3.448094      6.861933
  H      -0.762092      2.246671      8.098496
  H      -3.523622      6.111226      7.706878
  H      -2.229659      5.322616      6.787738
  H      -3.841346      4.225089      9.162057
  H      -2.080625      4.508535      9.102424
  H      -5.092523      0.880378      9.633783
  H      -5.173270      2.648667      9.587797
  H      -2.925173      0.815195      8.619453
  H      -2.821646      1.954182      9.990248
  C      -1.852290     -5.179322      0.999830
  C      -1.749688     -3.845138      1.750044
  O      -0.655011     -3.423594      2.203834
  C      -3.003805     -3.042964      1.955278
  C      -4.218339     -3.350009      1.321492
  C      -5.350781     -2.578994      1.565371
  C      -5.270296     -1.529960      2.480118
  F      -6.374007     -0.804892      2.701699
  C      -4.075083     -1.192993      3.144370
  C      -4.050911     -0.168560      4.231182
  O      -4.949425     -0.127927      5.021283
  C      -2.853452      0.786649      4.289440
  C      -2.949862     -1.954433      2.842170
  C      -2.936686     10.941731      0.514472
  C      -2.600679      9.806065      1.437315
  O      -1.454236      9.454891      1.573268
  C      -3.714212      9.119823      2.170344
  C      -5.072119      9.532900      2.072971
  C      -6.053792      8.879397      2.793479
  C      -5.679830      7.811052      3.608030
  F      -6.661613      7.209222      4.293414
  C      -4.346722      7.348281      3.726229
  C      -3.865589      6.175185      4.553069
  O      -2.745713      5.735383      4.384772
  C      -4.786055      5.564492      5.577364
  C      -3.387242      8.031006      2.985462
  C      -7.004413     -5.466294      3.511907
  C      -6.248593     -4.566111      4.465069
  O      -5.036259     -4.682007      4.589610
  C      -7.011980     -3.524889      5.226598
  C      -8.393015     -3.347049      5.075043
  C      -9.054264     -2.334650      5.759036
  C      -8.320163     -1.482970      6.569834
  F      -8.984215     -0.493802      7.212973
  C      -6.948553     -1.619650      6.757703
  C      -6.081016     -0.660908      7.519235
  O      -5.038543     -1.063529      8.030845
  C      -6.485640      0.817369      7.544734
  C      -6.318760     -2.669148      6.084548
  H      -0.865924     -5.662719      0.956435
  H      -2.580170     -5.858103      1.516156
  H      -2.215131     -5.019477     -0.033764
  H      -4.285850     -4.192495      0.626309
  H      -6.297579     -2.782198      1.067591
  H      -2.843388      1.359914      3.324852
  H      -1.923267      0.158107      4.265456
  H      -1.998231     -1.753061      3.335701
  H      -3.442679     11.741415      1.071137
  H      -3.632442     10.613084     -0.274671
  H      -2.002600     11.325374      0.055628
  H      -5.359896     10.372366      1.441486
  H      -7.096943      9.179026      2.742281
  H      -5.224260      6.385026      6.173312
  H      -5.604648      5.104020      5.029382
  H      -2.334402      7.696402      3.059469
  H      -7.779205     -6.039396      4.050896
  H      -6.299508     -6.161299      3.031453
  H      -7.514914     -4.864178      2.730170
  H      -8.963061     -3.998329      4.416263
  H     -10.124959     -2.185621      5.663027
  H      -7.225365      0.931350      8.365162
  H      -7.011311      1.050094      6.607730
  H      -5.247561     -2.789015      6.197673
  N      -5.609930      2.659529      4.961065
87
Coordinates from ORCA-job orca E -6506.315643631137
  N      -2.889882      1.645698      5.447068
  Mo     -4.471027      2.621948      6.174881
  N      -5.386051      1.708287      7.699597
  C      -4.814148      1.750922      9.051233
  C      -3.290556      1.778149      8.988130
  N      -2.851436      2.802321      8.032099
  C      -1.571680      2.511923      7.365707
  C      -1.723721      1.418190      6.304374
  C      -2.976262      4.181924      8.519167
  C      -3.184225      5.122083      7.338890
  N      -4.182309      4.576767      6.417723
  H      -0.802359      1.421869      5.691670
  H      -1.777328      0.416976      6.779548
  H      -1.240590      3.434499      6.868543
  H      -0.787769      2.218793      8.096812
  H      -3.515511      6.105682      7.719106
  H      -2.233946      5.301841      6.806776
  H      -3.859240      4.223172      9.172986
  H      -2.098376      4.494383      9.119293
  H      -5.115773      0.868271      9.631433
  H      -5.198263      2.637172      9.596874
  H      -2.949617      0.801325      8.618779
  H      -2.852307      1.938805      9.992185
  C      -1.879936     -5.161974      1.021764
  C      -1.759384     -3.838807      1.762531
  O      -0.688388     -3.434149      2.239637
  C      -2.998252     -3.035323      1.944631
  C      -4.204998     -3.355161      1.301531
  C      -5.346824     -2.594371      1.541204
  C      -5.282654     -1.538523      2.461113
  F      -6.405315     -0.823662      2.684847
  C      -4.088293     -1.184893      3.124292
  C      -4.072092     -0.156049      4.213266
  O      -4.974766     -0.122246      5.028323
  C      -2.893832      0.807968      4.273718
  C      -2.954454     -1.938810      2.829406
  C      -2.974872     10.936128      0.447240
  C      -2.570502      9.817679      1.385620
  O      -1.387808      9.463777      1.517152
  C      -3.663246      9.148472      2.170822
  C      -4.998603      9.577557      2.127186
  C      -5.977764      8.926810      2.875697
  C      -5.623194      7.848807      3.664188
  F      -6.616356      7.245794      4.368634
  C      -4.309723      7.373355      3.734302
  C      -3.843039      6.186476      4.537383
  O      -2.713108      5.730649      4.344030
  C      -4.786818      5.581834      5.574047
  C      -3.346469      8.055226      2.970671
  C      -6.950035     -5.476813      3.526533
  C      -6.205379     -4.565539      4.476949
  O      -4.990182     -4.664006      4.616487
  C      -6.985670     -3.537411      5.233082
  C      -8.374426     -3.378355      5.081387
  C      -9.047245     -2.379387      5.765422
  C      -8.317588     -1.519160      6.569199
  F      -8.995684     -0.543584      7.212323
  C      -6.937408     -1.636152      6.753328
  C      -6.072146     -0.667796      7.501450
  O      -5.015827     -1.050791      7.990948
  C      -6.501393      0.807778      7.541289
  C      -6.297858     -2.675507      6.089621
  H      -0.914504     -5.638785      1.023961
  H      -2.630792     -5.802653      1.503717
  H      -2.218779     -5.037454     -0.012462
  H      -4.264530     -4.203677      0.608219
  H      -6.293848     -2.810823      1.040809
  H      -2.903055      1.383238      3.331190
  H      -1.977166      0.200403      4.226076
  H      -2.002595     -1.724376      3.324387
  H      -3.450707     11.784576      0.974125
  H      -3.701819     10.569104     -0.280619
  H      -2.101731     11.294439     -0.061389
  H      -5.279002     10.422893      1.506170
  H      -7.019106      9.234536      2.857000
  H      -5.220046      6.408731      6.173217
  H      -5.620696      5.132181      5.010926
  H      -2.320418      7.702760      2.997990
  H      -7.725571     -6.049132      4.059007
  H      -6.236703     -6.166215      3.062505
  H      -7.459824     -4.888941      2.741368
  H      -8.940777     -4.036860      4.427259
  H     -10.124050     -2.243962      5.674893
  H      -7.240090      0.906399      8.365261
  H      -7.033784      1.044282      6.608933
  H      -5.220646     -2.783936      6.207484
  N      -5.605845      2.680203      4.971618
87
Coordinates from ORCA-job orca E -6506.313736724695
  N      -2.907190      1.645317      5.450820
  Mo     -4.493743      2.627154      6.170315
  N      -5.406411      1.718176      7.689361
  C      -4.835776      1.760277      9.039065
  C      -3.314565      1.785525      8.981701
  N      -2.864924      2.804249      8.025008
  C      -1.592129      2.509368      7.372845
  C      -1.749295      1.421476      6.319688
  C      -2.981172      4.180034      8.506286
  C      -3.194107      5.121344      7.327635
  N      -4.199042      4.584541      6.409482
  H      -0.826995      1.420247      5.720662
  H      -1.814956      0.427391      6.793577
  H      -1.255384      3.426786      6.878204
  H      -0.820368      2.221871      8.103092
  H      -3.523900      6.104377      7.709579
  H      -2.246134      5.298535      6.793588
  H      -3.859215      4.226007      9.162211
  H      -2.100638      4.487929      9.102493
  H      -5.141663      0.875819      9.613932
  H      -5.220160      2.645207      9.580369
  H      -2.980970      0.807645      8.611418
  H      -2.873973      1.944997      9.985356
  C      -1.977234     -5.192542      0.966381
  C      -1.830615     -3.881217      1.678628
  O      -0.750864     -3.523659      2.048914
  C      -3.054686     -3.059635      1.929134
  C      -4.290200     -3.356860      1.347449
  C      -5.415281     -2.584938      1.623403
  C      -5.308944     -1.545384      2.518875
  F      -6.415304     -0.818684      2.781400
  C      -4.099281     -1.211927      3.138345
  C      -4.075389     -0.178134      4.225136
  O      -4.993714     -0.147136      5.056811
  C      -2.904556      0.798538      4.278215
  C      -2.971774     -1.974345      2.802003
  C      -2.898713     11.031299      0.471089
  C      -2.548012      9.882177      1.398070
  O      -1.379345      9.503042      1.514672
  C      -3.640095      9.209993      2.165612
  C      -4.966567      9.649298      2.103526
  C      -5.954585      9.002257      2.842196
  C      -5.602233      7.911806      3.646957
  F      -6.606896      7.314908      4.341974
  C      -4.290433      7.424521      3.732665
  C      -3.834619      6.227493      4.535638
  O      -2.709995      5.774193      4.336021
  C      -4.795266      5.612074      5.575205
  C      -3.325998      8.104424      2.973417
  C      -6.798696     -5.575576      3.600943
  C      -6.086305     -4.624145      4.538992
  O      -4.871193     -4.690534      4.706879
  C      -6.906671     -3.594657      5.246978
  C      -8.302806     -3.474216      5.062812
  C      -9.026491     -2.469833      5.717584
  C      -8.335906     -1.566036      6.533656
  F      -9.061899     -0.590850      7.150702
  C      -6.945776     -1.646136      6.745701
  C      -6.106926     -0.648940      7.502365
  O      -5.069147     -1.013606      8.014002
  C      -6.531046      0.824189      7.528846
  C      -6.256273     -2.691070      6.098515
  H      -0.993921     -5.689001      0.899654
  H      -2.676991     -5.833747      1.508281
  H      -2.381386     -5.031078     -0.044831
  H      -4.383320     -4.194190      0.667108
  H      -6.379982     -2.784949      1.163129
  H      -2.926397      1.376899      3.332788
  H      -1.975979      0.199931      4.227635
  H      -2.006670     -1.775967      3.261035
  H      -3.373896     11.848451      1.030633
  H      -3.625871     10.707278     -0.300361
  H      -1.975600     11.401091     -0.019077
  H      -5.248080     10.501566      1.474383
  H      -7.007762      9.322650      2.801395
  H      -5.214549      6.435068      6.187217
  H      -5.648425      5.182137      5.007955
  H      -2.299215      7.747696      3.015952
  H      -7.574830     -6.147224      4.126932
  H      -6.065601     -6.260170      3.170417
  H      -7.301691     -5.028517      2.804536
  H      -8.838768     -4.165282      4.407650
  H     -10.111561     -2.367347      5.599341
  H      -7.270761      0.929824      8.344340
  H      -7.054604      1.056177      6.595266
  H      -5.171985     -2.769626      6.235796
  N      -5.679703      2.671678      4.952196
87
Coordinates from ORCA-job orca E -6506.318263590359
  N      -2.893981      1.666220      5.430754
  Mo     -4.485475      2.623246      6.173978
  N      -5.384245      1.706597      7.704045
  C      -4.809141      1.750031      9.052565
  C      -3.284493      1.778176      8.987109
  N      -2.850375      2.799939      8.025697
  C      -1.570309      2.513058      7.351867
  C      -1.727036      1.423887      6.290570
  C      -2.974960      4.176893      8.510689
  C      -3.192258      5.117618      7.333738
  N      -4.194026      4.574864      6.420224
  H      -0.798192      1.421508      5.678946
  H      -1.790474      0.417347      6.766704
  H      -1.242673      3.440220      6.852140
  H      -0.782928      2.218994      8.079613
  H      -3.525794      6.099016      7.717056
  H      -2.244164      5.300339      6.796444
  H      -3.855950      4.216680      9.167329
  H      -2.095534      4.489060      9.107889
  H      -5.111750      0.865743      9.631913
  H      -5.192828      2.635477      9.598334
  H      -2.943839      0.800920      8.616884
  H      -2.840986      1.940542      9.989642
  C      -1.920878     -5.152370      1.029042
  C      -1.789055     -3.837243      1.749767
  O      -0.696657     -3.455456      2.163952
  C      -3.031900     -3.024884      1.960988
  C      -4.257983     -3.327889      1.345792
  C      -5.387956     -2.556277      1.584507
  C      -5.295689     -1.510923      2.480573
  F      -6.402380     -0.783745      2.702801
  C      -4.093255     -1.174835      3.131191
  C      -4.070915     -0.146642      4.211843
  O      -4.971786     -0.125467      5.040087
  C      -2.906873      0.838213      4.252653
  C      -2.964897     -1.936441      2.829616
  C      -2.923260     10.932804      0.472851
  C      -2.563696      9.802554      1.411561
  O      -1.407248      9.434823      1.536065
  C      -3.663947      9.136670      2.173549
  C      -4.999693      9.572861      2.109370
  C      -5.989091      8.929456      2.842652
  C      -5.638946      7.850082      3.639034
  F      -6.637948      7.256382      4.332619
  C      -4.320753      7.367279      3.728388
  C      -3.859470      6.183013      4.540531
  O      -2.746928      5.729228      4.350676
  C      -4.796016      5.584885      5.580083
  C      -3.353997      8.041007      2.974848
  C      -6.890270     -5.513811      3.532471
  C      -6.161534     -4.593448      4.498254
  O      -4.947841     -4.686707      4.666222
  C      -6.953755     -3.558769      5.234823
  C      -8.336637     -3.403487      5.051201
  C      -9.023705     -2.397047      5.722973
  C      -8.312762     -1.525916      6.551864
  F      -9.001227     -0.544157      7.182074
  C      -6.937147     -1.638811      6.762500
  C      -6.084787     -0.663804      7.526212
  O      -5.042411     -1.050680      8.045874
  C      -6.506818      0.815489      7.548306
  C      -6.283250     -2.685310      6.103349
  H      -0.933216     -5.643911      0.984556
  H      -2.642615     -5.797666      1.557732
  H      -2.300937     -4.998145      0.003993
  H      -4.336551     -4.167690      0.666424
  H      -6.341857     -2.758833      1.095460
  H      -2.957148      1.422745      3.316318
  H      -1.975901      0.254196      4.177681
  H      -2.007272     -1.735199      3.313335
  H      -3.403443     11.756015      1.016937
  H      -3.643401     10.597437     -0.291316
  H      -2.009335     11.293012     -0.016630
  H      -5.272183     10.419726      1.488120
  H      -7.027458      9.247509      2.811668
  H      -5.215772      6.416157      6.179412
  H      -5.634684      5.141739      5.027966
  H      -2.323914      7.686435      3.019462
  H      -7.674594     -6.092880      4.056072
  H      -6.169202     -6.203260      3.074934
  H      -7.384320     -4.930143      2.739255
  H      -8.887607     -4.069994      4.379671
  H     -10.095897     -2.265813      5.606673
  H      -7.247088      0.926638      8.370858
  H      -7.033158      1.047012      6.610146
  H      -5.208579     -2.789849      6.236180
  N      -5.639089      2.675535      4.965572
87
Coordinates from ORCA-job orca E -6506.313858824987
  N      -2.879036      1.654733      5.461925
  Mo     -4.472434      2.616495      6.200823
  N      -5.370213      1.688002      7.726636
  C      -4.792136      1.734800      9.076801
  C      -3.268756      1.777957      9.005860
  N      -2.832198      2.800893      8.040007
  C      -1.559266      2.510825      7.380000
  C      -1.726643      1.419323      6.329099
  C      -2.956095      4.181343      8.522874
  C      -3.189648      5.125326      7.343504
  N      -4.199064      4.575322      6.435517
  H      -0.807375      1.408450      5.732681
  H      -1.801969      0.431952      6.802867
  H      -1.224810      3.425428      6.881860
  H      -0.779145      2.227266      8.104860
  H      -3.525132      6.107313      7.729442
  H      -2.244811      5.311476      6.798418
  H      -3.832481      4.216985      9.189575
  H      -2.070479      4.497198      9.111161
  H      -5.084614      0.846477      9.656373
  H      -5.181965      2.616153      9.619076
  H      -2.926135      0.803300      8.639123
  H      -2.823249      1.944622     10.003655
  C      -1.785000     -5.144250      0.952781
  C      -1.686645     -3.827051      1.728405
  O      -0.628296     -3.406413      2.225178
  C      -2.936495     -3.040466      1.931727
  C      -4.132765     -3.368174      1.280421
  C      -5.288517     -2.623395      1.542847
  C      -5.245899     -1.571955      2.489570
  F      -6.384269     -0.874662      2.746561
  C      -4.056973     -1.209492      3.152344
  C      -4.046503     -0.180285      4.248647
  O      -4.930566     -0.159595      5.064143
  C      -2.888619      0.821419      4.279004
  C      -2.912212     -1.948753      2.840792
  C      -2.955231     10.893052      0.415400
  C      -2.596854      9.764492      1.352170
  O      -1.431813      9.396694      1.477394
  C      -3.700364      9.107851      2.139107
  C      -5.044249      9.548433      2.079357
  C      -6.014339      8.920172      2.845346
  C      -5.644204      7.848205      3.667147
  F      -6.622377      7.266897      4.390841
  C      -4.330421      7.358596      3.747526
  C      -3.860072      6.177340      4.567535
  O      -2.738999      5.723308      4.381540
  C      -4.802762      5.578821      5.609619
  C      -3.374932      8.018391      2.966528
  C      -7.049693     -5.400964      3.515218
  C      -6.274631     -4.522068      4.437085
  O      -5.055217     -4.638182      4.528235
  C      -7.033896     -3.499010      5.208865
  C      -8.428175     -3.324277      5.090725
  C      -9.089978     -2.331744      5.792153
  C      -8.344203     -1.495710      6.589475
  F      -9.013063     -0.527570      7.260374
  C      -6.959805     -1.630610      6.750466
  C      -6.083282     -0.684804      7.519913
  O      -5.044032     -1.084339      8.016239
  C      -6.491964      0.791724      7.566797
  C      -6.328368     -2.661285      6.055615
  H      -0.819395     -5.616006      0.940492
  H      -2.526058     -5.811835      1.420961
  H      -2.113290     -4.993687     -0.079811
  H      -4.174877     -4.212520      0.564331
  H      -6.230436     -2.849478      1.041994
  H      -2.955668      1.414028      3.332697
  H      -1.939611      0.241345      4.191312
  H      -1.968268     -1.724542      3.339853
  H      -3.417920     11.731059      0.956524
  H      -3.683963     10.547723     -0.324731
  H      -2.053358     11.249967     -0.088201
  H      -5.335040     10.388833      1.435428
  H      -7.056348      9.240055      2.818034
  H      -5.220695      6.408345      6.211867
  H      -5.646422      5.134088      5.058724
  H      -2.340236      7.658498      3.006630
  H      -7.802605     -5.955161      4.064109
  H      -6.355753     -6.091543      3.035846
  H      -7.585848     -4.801648      2.749439
  H      -9.006956     -3.963877      4.447145
  H     -10.171807     -2.186694      5.723947
  H      -7.227244      0.893476      8.389058
  H      -7.024221      1.031571      6.637187
  H      -5.248430     -2.782606      6.154855
  N      -5.642208      2.656402      5.002850
87
Coordinates from ORCA-job orca E -6506.319463853782
  N      -2.911963      1.675881      5.438582
  Mo     -4.497722      2.629257      6.192731
  N      -5.393754      1.703676      7.715152
  C      -4.816218      1.742403      9.063330
  C      -3.295107      1.771429      8.996386
  N      -2.856118      2.791952      8.038476
  C      -1.586287      2.494944      7.369234
  C      -1.758328      1.413781      6.301705
  C      -2.970406      4.169187      8.528886
  C      -3.191597      5.117413      7.355138
  N      -4.202521      4.582693      6.441961
  H      -0.834430      1.399835      5.697778
  H      -1.841075      0.412400      6.768206
  H      -1.249105      3.416783      6.877933
  H      -0.805746      2.193888      8.093443
  H      -3.517592      6.099996      7.746037
  H      -2.246428      5.297500      6.812379
  H      -3.846447      4.210584      9.192180
  H      -2.086101      4.475615      9.121959
  H      -5.115608      0.855439      9.637340
  H      -5.199660      2.624490      9.612570
  H      -2.959121      0.794003      8.625120
  H      -2.850042      1.932381      9.997247
  C      -1.874970     -5.123905      0.984058
  C      -1.759088     -3.806356      1.719187
  O      -0.679063     -3.407097      2.153753
  C      -3.005069     -3.008220      1.934417
  C      -4.221596     -3.322663      1.312306
  C      -5.362517     -2.565348      1.566427
  C      -5.288429     -1.520426      2.481271
  F      -6.407572     -0.808062      2.725081
  C      -4.090704     -1.172804      3.130239
  C      -4.075573     -0.145580      4.218506
  O      -4.964854     -0.135330      5.047779
  C      -2.927947      0.863856      4.244239
  C      -2.954080     -1.920544      2.818428
  C      -2.917705     10.891748      0.418544
  C      -2.555195      9.766799      1.360413
  O      -1.391717      9.388955      1.482353
  C      -3.654208      9.120196      2.147089
  C      -4.981274      9.571055      2.095018
  C      -5.966471      8.946572      2.851386
  C      -5.617199      7.870165      3.660764
  F      -6.615378      7.293212      4.373363
  C      -4.309080      7.372946      3.738766
  C      -3.852914      6.187613      4.557186
  O      -2.735412      5.718361      4.358343
  C      -4.799593      5.597926      5.604533
  C      -3.344932      8.028608      2.963257
  C      -6.900557     -5.494038      3.528575
  C      -6.169324     -4.573832      4.494526
  O      -4.955988     -4.657613      4.647321
  C      -6.964901     -3.552780      5.244684
  C      -8.355547     -3.411086      5.087721
  C      -9.046002     -2.416562      5.771224
  C      -8.330717     -1.543592      6.583862
  F      -9.024476     -0.573729      7.226905
  C      -6.948458     -1.643601      6.770763
  C      -6.094633     -0.666507      7.528553
  O      -5.050711     -1.047856      8.036201
  C      -6.515829      0.808320      7.559675
  C      -6.290817     -2.678688      6.102944
  H      -0.892422     -5.603036      0.948376
  H      -2.596101     -5.781399      1.493663
  H      -2.243786     -4.973684     -0.039351
  H      -4.287252     -4.162429      0.619150
  H      -6.313415     -2.778124      1.078592
  H      -3.021332      1.469640      3.312552
  H      -1.974659      0.300821      4.130696
  H      -2.001203     -1.708144      3.303995
  H      -3.386843     11.726481      0.961481
  H      -3.648905     10.550409     -0.332350
  H      -2.011587     11.242591     -0.083429
  H      -5.258008     10.413907      1.460413
  H      -7.010660      9.273352      2.822383
  H      -5.210350      6.431602      6.206878
  H      -5.650851      5.164821      5.052113
  H      -2.318390      7.662207      2.999892
  H      -7.681267     -6.080719      4.047812
  H      -6.177638     -6.173110      3.065537
  H      -7.403366     -4.913019      2.745673
  H      -8.910420     -4.078548      4.429085
  H     -10.125289     -2.296425      5.675702
  H      -7.251225      0.913227      8.381786
  H      -7.046884      1.040389      6.628795
  H      -5.211497     -2.773017      6.220450
  N      -5.664761      2.684339      4.992443
87
Coordinates from ORCA-job orca E -6506.316002742202
  N      -2.874258      1.669934      5.431738
  Mo     -4.475167      2.613031      6.176768
  N      -5.364768      1.697467      7.709746
  C      -4.796157      1.749582      9.058268
  C      -3.268991      1.778332      8.993251
  N      -2.831213      2.794576      8.021819
  C      -1.549589      2.500101      7.350640
  C      -1.725720      1.404292      6.308487
  C      -2.948393      4.173531      8.497257
  C      -3.172907      5.106404      7.318205
  N      -4.184545      4.564144      6.417925
  H      -0.794040      1.367239      5.710332
  H      -1.825509      0.411294      6.794313
  H      -1.218257      3.418435      6.838883
  H      -0.758180      2.212868      8.076435
  H      -3.504127      6.086850      7.697101
  H      -2.228777      5.283010      6.776004
  H      -3.824214      4.219817      9.159197
  H      -2.062053      4.487795      9.084140
  H      -5.101072      0.867218      9.640768
  H      -5.182557      2.638211      9.595352
  H      -2.927515      0.797882      8.628734
  H      -2.824239      1.944283      9.996587
  C      -1.878557     -5.174196      1.025831
  C      -1.740052     -3.874059      1.773305
  O      -0.664808     -3.517777      2.203897
  C      -2.974842     -3.053084      1.979032
  C      -4.193496     -3.349107      1.350067
  C      -5.325443     -2.577120      1.586886
  C      -5.239339     -1.536029      2.489285
  F      -6.342226     -0.806488      2.705822
  C      -4.046115     -1.204096      3.153355
  C      -4.033689     -0.170524      4.235285
  O      -4.933708     -0.159379      5.082851
  C      -2.895509      0.837655      4.263038
  C      -2.914625     -1.966695      2.856977
  C      -2.975018     10.916408      0.455550
  C      -2.610720      9.779633      1.387160
  O      -1.455693      9.400695      1.481741
  C      -3.704682      9.119279      2.171069
  C      -5.050054      9.564151      2.129928
  C      -6.024969      8.929878      2.888563
  C      -5.663781      7.848016      3.679386
  F      -6.637910      7.267453      4.405866
  C      -4.345381      7.353271      3.739929
  C      -3.872758      6.166789      4.540843
  O      -2.763566      5.719707      4.349943
  C      -4.787782      5.580213      5.594508
  C      -3.385431      8.020636      2.966289
  C      -6.957336     -5.459091      3.542142
  C      -6.205826     -4.556039      4.458855
  O      -4.983305     -4.669488      4.599164
  C      -6.985473     -3.510784      5.184657
  C      -8.370508     -3.331483      4.999341
  C      -9.052186     -2.320727      5.672184
  C      -8.334040     -1.471006      6.514387
  F      -9.016595     -0.485732      7.151935
  C      -6.956268     -1.609942      6.733822
  C      -6.098780     -0.662727      7.529749
  O      -5.085236     -1.069098      8.081414
  C      -6.499477      0.825981      7.547389
  C      -6.306811     -2.657383      6.060195
  H      -0.901749     -5.677486      0.990342
  H      -2.617102     -5.810891      1.535013
  H      -2.234138     -5.001306     -0.007527
  H      -4.266235     -4.185843      0.663527
  H      -6.275073     -2.778277      1.089453
  H      -2.979813      1.412086      3.346641
  H      -1.970369      0.288902      4.171237
  H      -1.962635     -1.767594      3.352030
  H      -3.425821     11.756091      1.004032
  H      -3.714722     10.579601     -0.276504
  H      -2.078530     11.268374     -0.061610
  H      -5.325698     10.414585      1.515696
  H      -7.047740      9.262499      2.888836
  H      -5.176585      6.419251      6.197891
  H      -5.638406      5.145363      5.068506
  H      -2.349162      7.659185      2.993375
  H      -7.717473     -6.001417      4.095120
  H      -6.252530     -6.165209      3.091884
  H      -7.475990     -4.877474      2.751850
  H      -8.926625     -3.982439      4.322467
  H     -10.125914     -2.171250      5.552410
  H      -7.241936      0.951342      8.370544
  H      -7.014828      1.067960      6.602848
  H      -5.231104     -2.783419      6.201194
  N      -5.625567      2.641131      4.962920
87
Coordinates from ORCA-job orca E -6506.319951364530
  N      -2.896618      1.689023      5.430735
  Mo     -4.493759      2.623974      6.193720
  N      -5.378889      1.689227      7.722135
  C      -4.800720      1.734835      9.069078
  C      -3.276696      1.770681      8.998570
  N      -2.844018      2.790800      8.032758
  C      -1.569604      2.498356      7.356486
  C      -1.747299      1.413465      6.299540
  C      -2.961297      4.168046      8.520175
  C      -3.194028      5.112730      7.347346
  N      -4.208955      4.575684      6.444139
  H      -0.817526      1.383604      5.699073
  H      -1.845447      0.415683      6.774724
  H      -1.237528      3.420682      6.855441
  H      -0.780965      2.202442      8.077583
  H      -3.521745      6.094128      7.736809
  H      -2.251305      5.293744      6.799219
  H      -3.834621      4.207199      9.188774
  H      -2.073309      4.477736      9.106511
  H      -5.096687      0.847272      9.647624
  H      -5.187459      2.617380      9.615208
  H      -2.934887      0.793487      8.631872
  H      -2.830544      1.936887      9.998402
  C      -1.864548     -5.128808      1.000060
  C      -1.743040     -3.819496      1.746363
  O      -0.666284     -3.434641      2.187466
  C      -2.985492     -3.014954      1.955736
  C      -4.200715     -3.323525      1.327473
  C      -5.340634     -2.563538      1.576171
  C      -5.266190     -1.521510      2.490128
  F      -6.385141     -0.806553      2.730750
  C      -4.070155     -1.178108      3.144510
  C      -4.055962     -0.148053      4.228560
  O      -4.943906     -0.143771      5.067579
  C      -2.921443      0.877393      4.240244
  C      -2.933877     -1.928775      2.839024
  C      -2.928243     10.879825      0.418031
  C      -2.574166      9.749373      1.361436
  O      -1.416123      9.360534      1.471005
  C      -3.669700      9.108687      2.151894
  C      -4.999233      9.566847      2.104026
  C      -5.985129      8.945839      2.862641
  C      -5.636250      7.865293      3.668309
  F      -6.635862      7.292010      4.383660
  C      -4.324077      7.361110      3.741749
  C      -3.869443      6.172698      4.554074
  O      -2.759208      5.705611      4.354392
  C      -4.808510      5.589396      5.609671
  C      -3.361538      8.012945      2.962984
  C      -6.935173     -5.474219      3.520588
  C      -6.194827     -4.564423      4.470801
  O      -4.977312     -4.659174      4.609112
  C      -6.980757     -3.537036      5.220251
  C      -8.367041     -3.377748      5.053857
  C      -9.049658     -2.378776      5.737393
  C      -8.331100     -1.519791      6.564230
  F      -9.015169     -0.544626      7.207446
  C      -6.953403     -1.638248      6.763165
  C      -6.098024     -0.677125      7.540957
  O      -5.066460     -1.073748      8.067756
  C      -6.507685      0.803271      7.568647
  C      -6.302735     -2.675905      6.088472
  H      -0.887011     -5.616494      0.968537
  H      -2.595915     -5.779830      1.501713
  H      -2.220624     -4.968556     -0.028578
  H      -4.266151     -4.161090      0.634318
  H      -6.290312     -2.773572      1.083705
  H      -3.046543      1.482450      3.317929
  H      -1.964710      0.335602      4.107261
  H      -1.982836     -1.719365      3.330262
  H      -3.386519     11.716428      0.962729
  H      -3.665408     10.546369     -0.329264
  H      -2.017789     11.225247     -0.089476
  H      -5.273275     10.413285      1.473869
  H      -7.024712      9.280839      2.841322
  H      -5.209383      6.429388      6.212622
  H      -5.664198      5.157385      5.066438
  H      -2.343957      7.639276      2.990406
  H      -7.702132     -6.055418      4.055974
  H      -6.217979     -6.158587      3.047774
  H      -7.452436     -4.883978      2.743938
  H      -8.923648     -4.034336      4.384741
  H     -10.124477     -2.244871      5.632560
  H      -7.242640      0.915883      8.393934
  H      -7.037158      1.038866      6.635117
  H      -5.226843     -2.784410      6.212934
  N      -5.655221      2.671912      4.988475
87
Coordinates from ORCA-job orca E -6506.316646728243
  N      -2.937984      1.692892      5.426801
  Mo     -4.512186      2.640869      6.197894
  N      -5.400530      1.713394      7.711590
  C      -4.829382      1.747940      9.061085
  C      -3.312828      1.759462      9.000516
  N      -2.860270      2.774062      8.047407
  C      -1.604449      2.451367      7.376193
  C      -1.808744      1.378785      6.299000
  C      -2.948930      4.153523      8.540628
  C      -3.158521      5.106149      7.369771
  N      -4.187955      4.589376      6.462101
  H      -0.888058      1.327868      5.702912
  H      -1.937939      0.381854      6.756015
  H      -1.250994      3.365942      6.890605
  H      -0.832001      2.132534      8.096809
  H      -3.464744      6.091800      7.768282
  H      -2.217420      5.271520      6.820437
  H      -3.818072      4.209267      9.207449
  H      -2.057987      4.448810      9.128881
  H      -5.140087      0.865153      9.630226
  H      -5.206232      2.633614      9.609214
  H      -2.989712      0.776824      8.628819
  H      -2.869041      1.915311     10.002698
  C      -1.809481     -5.096421      0.985233
  C      -1.715310     -3.773063      1.712505
  O      -0.631042     -3.350364      2.140268
  C      -2.977904     -2.991986      1.929313
  C      -4.189930     -3.318344      1.302013
  C      -5.335499     -2.568860      1.541728
  C      -5.273684     -1.519860      2.454292
  F      -6.392691     -0.813246      2.682815
  C      -4.084269     -1.164183      3.114732
  C      -4.079940     -0.135488      4.203663
  O      -4.945974     -0.143071      5.045780
  C      -2.968078      0.900155      4.219668
  C      -2.940985     -1.902195      2.812420
  C      -2.935150     10.843345      0.371511
  C      -2.559136      9.723308      1.306710
  O      -1.399882      9.336284      1.412862
  C      -3.665924      9.092899      2.121010
  C      -4.988857      9.560156      2.100600
  C      -5.955348      8.958269      2.893113
  C      -5.604450      7.883783      3.699264
  F      -6.566701      7.334011      4.458834
  C      -4.314625      7.366629      3.740922
  C      -3.846204      6.183749      4.565310
  O      -2.734223      5.695088      4.357261
  C      -4.782208      5.618651      5.633329
  C      -3.353037      8.004443      2.939045
  C      -6.908500     -5.473158      3.520635
  C      -6.169938     -4.553394      4.495487
  O      -4.965884     -4.641883      4.680982
  C      -6.971080     -3.537262      5.244067
  C      -8.371368     -3.402417      5.098917
  C      -9.071550     -2.419783      5.804118
  C      -8.354998     -1.548333      6.614955
  F      -9.061590     -0.592312      7.289360
  C      -6.960668     -1.638074      6.777410
  C      -6.102784     -0.660393      7.526538
  O      -5.065247     -1.038592      8.029063
  C      -6.524153      0.816648      7.553349
  C      -6.295614     -2.665138      6.101086
  H      -0.810940     -5.561532      0.937489
  H      -2.512057     -5.774820      1.509006
  H      -2.196015     -4.945327     -0.031787
  H      -4.244296     -4.159223      0.608213
  H      -6.278626     -2.789952      1.043354
  H      -3.112960      1.513435      3.313678
  H      -2.013070      0.378759      4.063564
  H      -1.992065     -1.679039      3.302409
  H      -3.385083     11.687435      0.917966
  H      -3.684634     10.500180     -0.358867
  H      -2.043534     11.181409     -0.149880
  H      -5.262427     10.403798      1.470861
  H      -6.975333      9.305189      2.901231
  H      -5.163985      6.458426      6.241083
  H      -5.653267      5.204028      5.097897
  H      -2.298045      7.631955      2.969690
  H      -7.710963     -6.034987      4.018860
  H      -6.196277     -6.155415      3.090395
  H      -7.386513     -4.912570      2.722400
  H      -8.928730     -4.069381      4.444843
  H     -10.161284     -2.308828      5.728402
  H      -7.257335      0.923479      8.376220
  H      -7.053501      1.048673      6.621980
  H      -5.208055     -2.753663      6.209938
  N      -5.693024      2.697831      5.011332
87
Coordinates from ORCA-job orca E -6506.320201978422
  N      -2.913507      1.704401      5.422711
  Mo     -4.502745      2.632127      6.202818
  N      -5.382575      1.695584      7.726103
  C      -4.803150      1.735055      9.072737
  C      -3.282131      1.759544      9.002398
  N      -2.842080      2.775248      8.040679
  C      -1.579682      2.465103      7.364337
  C      -1.777326      1.393485      6.291248
  C      -2.941736      4.152643      8.532584
  C      -3.169554      5.104709      7.363546
  N      -4.197740      4.582263      6.463722
  H      -0.851258      1.348481      5.693270
  H      -1.898845      0.394570      6.753526
  H      -1.233684      3.384453      6.875895
  H      -0.800617      2.150177      8.083272
  H      -3.482422      6.088491      7.761256
  H      -2.230157      5.276794      6.808726
  H      -3.810529      4.199085      9.204189
  H      -2.050159      4.452949      9.117524
  H      -5.104435      0.849514      9.647004
  H      -5.182623      2.618586      9.621894
  H      -2.950672      0.780107      8.632986
  H      -2.833239      1.921848     10.001481
  C      -1.809912     -5.104146      1.009571
  C      -1.699154     -3.789743      1.740275
  O      -0.625903     -3.393263      2.175407
  C      -2.950509     -2.994987      1.947908
  C      -4.160891     -3.312910      1.313348
  C      -5.309019     -2.561341      1.556969
  C      -5.247902     -1.517966      2.473991
  F      -6.370447     -0.809642      2.707214
  C      -4.057292     -1.165795      3.134508
  C      -4.054604     -0.134966      4.219783
  O      -4.931699     -0.148376      5.068785
  C      -2.947871      0.919945      4.213362
  C      -2.912304     -1.906951      2.833931
  C      -2.947619     10.812856      0.377774
  C      -2.580820      9.695867      1.325928
  O      -1.424242      9.305707      1.430935
  C      -3.676591      9.071379      2.136770
  C      -5.001701      9.539584      2.103247
  C      -5.983060      8.937103      2.882877
  C      -5.634888      7.864708      3.694806
  F      -6.625326      7.311192      4.433281
  C      -4.331283      7.349549      3.753743
  C      -3.871906      6.169141      4.578223
  O      -2.766699      5.687538      4.367277
  C      -4.795008      5.602941      5.644406
  C      -3.369503      7.983812      2.955693
  C      -6.958181     -5.442568      3.493410
  C      -6.216024     -4.540691      4.463048
  O      -5.001362     -4.639657      4.610871
  C      -7.000724     -3.519764      5.226546
  C      -8.390631     -3.364398      5.075515
  C      -9.071869     -2.371420      5.767811
  C      -8.348129     -1.513653      6.585808
  F      -9.032296     -0.544070      7.237894
  C      -6.966386     -1.627731      6.769688
  C      -6.106994     -0.666569      7.539171
  O      -5.072464     -1.064377      8.057498
  C      -6.513251      0.812051      7.571555
  C      -6.317477     -2.660825      6.090559
  H      -0.825017     -5.582891      0.979647
  H      -2.531105     -5.760728      1.516424
  H      -2.176411     -4.951101     -0.014125
  H      -4.215413     -4.151505      0.616868
  H      -6.253677     -2.778337      1.057069
  H      -3.128144      1.542324      3.307948
  H      -1.976223      0.413504      4.032325
  H      -1.965103     -1.689222      3.330628
  H      -3.394043     11.661924      0.917638
  H      -3.694663     10.471250     -0.351753
  H      -2.053122     11.144280     -0.146353
  H      -5.275283     10.380155      1.467644
  H      -7.018781      9.280720      2.872841
  H      -5.170250      6.446843      6.248944
  H      -5.661981      5.182815      5.121850
  H      -2.340212      7.605939      2.981446
  H      -7.737308     -6.023164      4.014441
  H      -6.243748     -6.125593      3.020964
  H      -7.461717     -4.848100      2.715006
  H      -8.951728     -4.019511      4.411717
  H     -10.150125     -2.240952      5.675083
  H      -7.246017      0.924421      8.396006
  H      -7.043232      1.050557      6.640324
  H      -5.238511     -2.766110      6.203443
  N      -5.675371      2.687469      5.006455
87
Coordinates from ORCA-job orca E -6506.315885539234
  N      -2.938054      1.713303      5.439538
  Mo     -4.525174      2.634132      6.222269
  N      -5.395715      1.680161      7.750824
  C      -4.817525      1.723309      9.096258
  C      -3.292062      1.758244      9.023514
  N      -2.859993      2.783771      8.056035
  C      -1.588467      2.483850      7.360659
  C      -1.783619      1.405168      6.300390
  C      -2.968560      4.162956      8.544648
  C      -3.201541      5.108056      7.376285
  N      -4.230057      4.578537      6.485008
  H      -0.849771      1.359761      5.688806
  H      -1.896610      0.400370      6.779046
  H      -1.252802      3.411486      6.859328
  H      -0.791214      2.171729      8.072152
  H      -3.517749      6.092916      7.768564
  H      -2.261328      5.282112      6.819197
  H      -3.837277      4.206638      9.219964
  H      -2.074135      4.470315      9.123610
  H      -5.112913      0.832447      9.674742
  H      -5.205606      2.605729      9.646083
  H      -2.947894      0.778108      8.658179
  H      -2.848340      1.924072     10.026023
  C      -1.829667     -5.078283      0.947950
  C      -1.734556     -3.775767      1.741412
  O      -0.657446     -3.374858      2.198996
  C      -2.986392     -2.989275      1.962528
  C      -4.197218     -3.302723      1.335097
  C      -5.337807     -2.553808      1.588446
  C      -5.266794     -1.518366      2.504473
  F      -6.381146     -0.811045      2.747055
  C      -4.077429     -1.169975      3.158632
  C      -4.069629     -0.137432      4.241820
  O      -4.936475     -0.152100      5.100981
  C      -2.979054      0.918855      4.241449
  C      -2.940753     -1.909941      2.849202
  C      -2.889891     10.852563      0.345077
  C      -2.568972      9.706684      1.288602
  O      -1.416950      9.283367      1.367172
  C      -3.655950      9.096589      2.111464
  C      -4.970663      9.589884      2.093352
  C      -5.950528      8.992627      2.879171
  C      -5.603379      7.901640      3.684893
  F      -6.601179      7.351584      4.427068
  C      -4.299103      7.364481      3.729998
  C      -3.859743      6.161226      4.532210
  O      -2.771102      5.662447      4.314819
  C      -4.822123      5.603920      5.621038
  C      -3.350544      7.992034      2.922637
  C      -6.931836     -5.464409      3.511637
  C      -6.183569     -4.568605      4.450858
  O      -4.962156     -4.669958      4.574697
  C      -6.965567     -3.553931      5.216825
  C      -8.352058     -3.396935      5.052038
  C      -9.038479     -2.410123      5.754830
  C      -8.321779     -1.559075      6.597225
  F      -9.006502     -0.594271      7.257121
  C      -6.941533     -1.673919      6.789680
  C      -6.085237     -0.712820      7.566468
  O      -5.045191     -1.104055      8.077483
  C      -6.513181      0.772068      7.597144
  C      -6.288077     -2.702764      6.099749
  H      -0.849681     -5.553389      0.903086
  H      -2.561740     -5.760742      1.434461
  H      -2.171696     -4.895631     -0.088827
  H      -4.258366     -4.134028      0.639264
  H      -6.282669     -2.767495      1.095863
  H      -3.160842      1.522638      3.353369
  H      -2.027542      0.424622      4.060958
  H      -1.989986     -1.692627      3.332556
  H      -3.329341     11.689283      0.906384
  H      -3.645611     10.542559     -0.406330
  H      -1.949852     11.187302     -0.173397
  H      -5.245836     10.442946      1.462354
  H      -6.983196      9.352960      2.879704
  H      -5.213553      6.458399      6.228516
  H      -5.701977      5.188167      5.071186
  H      -2.371366      7.588534      2.913398
  H      -7.689020     -6.039989      4.049229
  H      -6.220361     -6.147414      3.030182
  H      -7.457948     -4.866495      2.747263
  H      -8.907597     -4.046076      4.369306
  H     -10.113543     -2.279022      5.651935
  H      -7.253538      0.874435      8.423543
  H      -7.044563      1.004837      6.661975
  H      -5.212575     -2.809959      6.225107
  N      -5.701530      2.671257      5.032270
87
Coordinates from ORCA-job orca E -6506.320400926882
  N      -2.911413      1.716497      5.415303
  Mo     -4.507436      2.634162      6.196203
  N      -5.382258      1.683278      7.721244
  C      -4.800546      1.729294      9.067496
  C      -3.275181      1.763406      8.993727
  N      -2.840206      2.782016      8.025754
  C      -1.571365      2.481071      7.340217
  C      -1.770866      1.404744      6.282582
  C      -2.946067      4.158607      8.517789
  C      -3.191617      5.109454      7.352876
  N      -4.225266      4.583956      6.465906
  H      -0.841731      1.350539      5.682872
  H      -1.894863      0.411703      6.758492
  H      -1.232306      3.401078      6.840807
  H      -0.780626      2.173295      8.054321
  H      -3.505737      6.091651      7.750645
  H      -2.255814      5.284586      6.790244
  H      -3.810628      4.197994      9.199300
  H      -2.048232      4.461973      9.092539
  H      -5.095465      0.840944      9.646816
  H      -5.185017      2.611944      9.615611
  H      -2.933982      0.785049      8.631122
  H      -2.829186      1.932650      9.992805
  C      -1.816330     -5.108097      1.017772
  C      -1.710401     -3.795663      1.763563
  O      -0.636854     -3.400475      2.209483
  C      -2.959423     -3.000986      1.968466
  C      -4.173615     -3.319741      1.341089
  C      -5.321530     -2.569092      1.585857
  C      -5.255783     -1.525460      2.495231
  F      -6.385122     -0.820893      2.740776
  C      -4.061732     -1.171941      3.148254
  C      -4.055309     -0.137864      4.227672
  O      -4.929132     -0.146577      5.074299
  C      -2.952348      0.927169      4.211219
  C      -2.916122     -1.912571      2.846045
  C      -2.927139     10.836381      0.385835
  C      -2.572671      9.706105      1.327638
  O      -1.418516      9.296640      1.419855
  C      -3.667184      9.090495      2.142462
  C      -4.991316      9.572602      2.118086
  C      -5.969724      8.974809      2.901177
  C      -5.626950      7.891247      3.702999
  F      -6.614700      7.341896      4.444969
  C      -4.326107      7.362433      3.751316
  C      -3.881550      6.168616      4.557704
  O      -2.782471      5.682214      4.338654
  C      -4.819928      5.604527      5.634222
  C      -3.362075      7.993639      2.953302
  C      -6.958696     -5.467673      3.504227
  C      -6.213256     -4.565327      4.458566
  O      -4.997322     -4.668166      4.603029
  C      -6.993034     -3.538686      5.209070
  C      -8.380380     -3.378910      5.044095
  C      -9.063701     -2.386251      5.743572
  C      -8.343246     -1.531529      6.579531
  F      -9.028919     -0.563773      7.243508
  C      -6.962085     -1.647428      6.768626
  C      -6.103383     -0.686234      7.545779
  O      -5.067361     -1.082134      8.060653
  C      -6.510708      0.793357      7.573128
  C      -6.311506     -2.681249      6.082986
  H      -0.835275     -5.588964      0.995190
  H      -2.546293     -5.763970      1.512143
  H      -2.166913     -4.952069     -0.013284
  H      -4.234390     -4.158743      0.654108
  H      -6.271153     -2.788673      1.095549
  H      -3.154810      1.550696      3.313447
  H      -1.977621      0.432398      4.015316
  H      -1.966175     -1.691561      3.335899
  H      -3.365063     11.683822      0.933998
  H      -3.681375     10.509211     -0.345971
  H      -2.021763     11.166075     -0.137477
  H      -5.260853     10.421429      1.490706
  H      -6.995261      9.330800      2.903410
  H      -5.198489      6.455084      6.242196
  H      -5.694780      5.186226      5.103333
  H      -2.339355      7.603187      2.968528
  H      -7.732468     -6.041142      4.033376
  H      -6.247346     -6.154831      3.035701
  H      -7.467494     -4.877743      2.726390
  H      -8.938871     -4.032562      4.369629
  H     -10.140832     -2.254389      5.645566
  H      -7.243365      0.905749      8.399024
  H      -7.044728      1.027061      6.642223
  H      -5.234650     -2.790084      6.205719
  N      -5.667228      2.685466      4.991668
87
Coordinates from ORCA-job orca E -6506.317021935242
  N      -2.925819      1.713696      5.416181
  Mo     -4.509796      2.648874      6.208663
  N      -5.383227      1.709027      7.727359
  C      -4.808220      1.739847      9.074338
  C      -3.291287      1.747395      9.013096
  N      -2.838513      2.758084      8.056841
  C      -1.590696      2.426239      7.379439
  C      -1.810888      1.366355      6.291523
  C      -2.914976      4.134689      8.557615
  C      -3.137853      5.102948      7.397146
  N      -4.181902      4.597049      6.500602
  H      -0.889759      1.294109      5.699905
  H      -1.967619      0.370136      6.746099
  H      -1.231143      3.342383      6.901592
  H      -0.823007      2.091707      8.096870
  H      -3.439650      6.086881      7.814240
  H      -2.203606      5.274635      6.831971
  H      -3.777119      4.189312      9.233050
  H      -2.019227      4.421824      9.140441
  H      -5.119425      0.856353      9.641715
  H      -5.181897      2.625980      9.624382
  H      -2.970690      0.763205      8.641708
  H      -2.844198      1.904313     10.015815
  C      -1.758286     -5.087558      0.987958
  C      -1.668797     -3.773718      1.732870
  O      -0.600589     -3.367719      2.172543
  C      -2.930818     -2.989730      1.940576
  C      -4.129918     -3.313496      1.290984
  C      -5.279990     -2.566090      1.526256
  C      -5.233432     -1.522018      2.452808
  F      -6.348784     -0.816676      2.667470
  C      -4.053604     -1.164295      3.126675
  C      -4.057371     -0.128864      4.212580
  O      -4.925926     -0.151929      5.080452
  C      -2.972765      0.931683      4.208423
  C      -2.908358     -1.900417      2.835647
  C      -2.965818     10.757225      0.330723
  C      -2.602737      9.638846      1.275039
  O      -1.453407      9.231728      1.363143
  C      -3.694444      9.038764      2.114080
  C      -5.001212      9.531863      2.105860
  C      -5.985186      8.950467      2.906899
  C      -5.638092      7.878928      3.725828
  F      -6.634956      7.345986      4.481478
  C      -4.345558      7.341382      3.765859
  C      -3.883702      6.161643      4.603946
  O      -2.787337      5.652433      4.383920
  C      -4.775104      5.624521      5.687223
  C      -3.397328      7.950423      2.937198
  C      -6.957649     -5.411911      3.482662
  C      -6.221650     -4.515816      4.481814
  O      -5.012589     -4.613445      4.636067
  C      -7.013865     -3.500132      5.252016
  C      -8.407259     -3.341648      5.110375
  C      -9.083594     -2.345120      5.782057
  C      -8.353470     -1.488884      6.573512
  F      -9.031473     -0.512366      7.195828
  C      -6.971464     -1.609050      6.761601
  C      -6.108106     -0.651733      7.522708
  O      -5.081025     -1.054576      8.044745
  C      -6.513257      0.829865      7.562461
  C      -6.327086     -2.644424      6.099935
  H      -0.760410     -5.555059      0.953919
  H      -2.474535     -5.764087      1.491078
  H      -2.122371     -4.927093     -0.038561
  H      -4.167910     -4.151637      0.579722
  H      -6.213071     -2.785757      1.010072
  H      -3.171571      1.548857      3.320996
  H      -2.013948      0.442933      4.011723
  H      -1.968202     -1.676728      3.341351
  H      -3.396135     11.609386      0.880976
  H      -3.725377     10.424608     -0.392159
  H      -2.074568     11.076634     -0.206722
  H      -5.273927     10.372031      1.465560
  H      -7.033617      9.307833      2.902513
  H      -5.119062      6.475788      6.289926
  H      -5.652053      5.216559      5.196713
  H      -2.383428      7.550382      2.942291
  H      -7.747408     -6.017574      3.986571
  H      -6.234154     -6.082254      2.995156
  H      -7.455174     -4.803820      2.712604
  H      -8.973362     -3.993473      4.464759
  H     -10.163570     -2.210356      5.688698
  H      -7.250166      0.940231      8.385038
  H      -7.035152      1.077492      6.630475
  H      -5.245969     -2.752020      6.209338
  N      -5.698325      2.705711      5.020926
87
Coordinates from ORCA-job orca E -6506.321162658120
  N      -2.928855      1.725957      5.398197
  Mo     -4.514465      2.654838      6.190713
  N      -5.389609      1.700691      7.708829
  C      -4.809174      1.735915      9.055296
  C      -3.285741      1.754834      8.985388
  N      -2.839740      2.771865      8.023349
  C      -1.580693      2.456611      7.335311
  C      -1.796212      1.392353      6.263875
  C      -2.924954      4.146475      8.524229
  C      -3.164249      5.109066      7.367398
  N      -4.209809      4.601400      6.480370
  H      -0.870347      1.325488      5.663850
  H      -1.938061      0.397560      6.731762
  H      -1.230987      3.376547      6.846274
  H      -0.796507      2.131598      8.046234
  H      -3.466311      6.090519      7.778646
  H      -2.231355      5.281470      6.800189
  H      -3.784167      4.192598      9.208403
  H      -2.022932      4.437090      9.097731
  H      -5.113057      0.848408      9.628789
  H      -5.186168      2.620159      9.606464
  H      -2.955446      0.773877      8.617483
  H      -2.839350      1.915711      9.986664
  C      -1.677094     -5.039742      0.948708
  C      -1.616367     -3.739954      1.718963
  O      -0.552480     -3.305950      2.149540
  C      -2.894426     -3.000895      1.961284
  C      -4.104492     -3.357436      1.347877
  C      -5.272878     -2.648862      1.618606
  C      -5.229965     -1.608785      2.538436
  F      -6.372469     -0.941544      2.797126
  C      -4.039293     -1.215444      3.173696
  C      -4.042586     -0.175614      4.249957
  O      -4.881881     -0.221129      5.133630
  C      -2.985355      0.928138      4.199411
  C      -2.877296     -1.917598      2.851282
  C      -2.931094     10.824717      0.370906
  C      -2.579314      9.685292      1.300469
  O      -1.430124      9.263336      1.377169
  C      -3.671484      9.081231      2.129832
  C      -4.986353      9.579481      2.125392
  C      -5.964289      8.991804      2.920034
  C      -5.621756      7.907408      3.721746
  F      -6.609938      7.369424      4.475220
  C      -4.326893      7.365481      3.755309
  C      -3.877588      6.177991      4.573442
  O      -2.782494      5.679802      4.351667
  C      -4.799127      5.632347      5.661133
  C      -3.370561      7.981924      2.938412
  C      -7.063094     -5.483501      3.531591
  C      -6.299229     -4.578175      4.475621
  O      -5.083572     -4.690419      4.606280
  C      -7.062375     -3.538558      5.232483
  C      -8.453858     -3.376623      5.101707
  C      -9.116276     -2.365380      5.789082
  C      -8.372865     -1.500167      6.585559
  F      -9.038304     -0.514649      7.235973
  C      -6.989290     -1.623378      6.751195
  C      -6.112587     -0.664683      7.507297
  O      -5.075900     -1.067277      8.015214
  C      -6.519663      0.815988      7.551915
  C      -6.357833     -2.669577      6.071391
  H      -0.672628     -5.472625      0.893619
  H      -2.362418     -5.743533      1.444470
  H      -2.058894     -4.876248     -0.070492
  H      -4.143292     -4.190793      0.645885
  H      -6.218774     -2.895650      1.135951
  H      -3.236153      1.538206      3.309475
  H      -2.006534      0.466904      3.972786
  H      -1.929875     -1.667078      3.330087
  H      -3.347894     11.675051      0.932068
  H      -3.698442     10.512527     -0.353786
  H      -2.030660     11.143694     -0.162946
  H      -5.255688     10.430071      1.499280
  H      -6.992948      9.355046      2.929116
  H      -5.148381      6.487005      6.274008
  H      -5.687901      5.229483      5.151032
  H      -2.355507      7.580687      2.940353
  H      -7.835550     -6.053343      4.071523
  H      -6.361613     -6.176796      3.054633
  H      -7.576798     -4.892788      2.758007
  H      -9.031334     -4.039868      4.457981
  H     -10.194885     -2.228352      5.711149
  H      -7.251413      0.921574      8.380214
  H      -7.053053      1.061578      6.623896
  H      -5.277231     -2.778771      6.166867
  N      -5.681493      2.721738      4.990598
87
Coordinates from ORCA-job orca E -6506.320938146102
  N      -2.947338      1.723414      5.410741
  Mo     -4.531727      2.651623      6.205433
  N      -5.412502      1.701321      7.724778
  C      -4.839331      1.750017      9.073570
  C      -3.314767      1.755813      9.008239
  N      -2.856997      2.760877      8.037674
  C      -1.599269      2.427282      7.351991
  C      -1.825451      1.365597      6.281283
  C      -2.928607      4.139411      8.530470
  C      -3.170090      5.098697      7.371713
  N      -4.227063      4.597369      6.495056
  H      -0.896071      1.285211      5.685589
  H      -1.985895      0.372041      6.747425
  H      -1.236388      3.342311      6.861260
  H      -0.818984      2.093510      8.064219
  H      -3.460837      6.083696      7.780849
  H      -2.240141      5.261511      6.796941
  H      -3.782933      4.195072      9.220634
  H      -2.020098      4.425948      9.096037
  H      -5.151962      0.870898      9.656736
  H      -5.212259      2.643643      9.612257
  H      -2.990605      0.768764      8.651810
  H      -2.871309      1.923234     10.009595
  C      -1.772258     -5.000762      0.864579
  C      -1.699144     -3.730943      1.681473
  O      -0.636929     -3.343223      2.159165
  C      -2.961515     -2.962678      1.911070
  C      -4.168968     -3.276233      1.269460
  C      -5.323104     -2.540408      1.529122
  C      -5.267872     -1.511834      2.459400
  F      -6.399327     -0.820946      2.711621
  C      -4.079649     -1.161377      3.123274
  C      -4.076728     -0.138059      4.214754
  O      -4.955060     -0.152205      5.058384
  C      -3.003466      0.951560      4.194661
  C      -2.932183     -1.894508      2.817322
  C      -2.901676     10.773872      0.344699
  C      -2.561467      9.628117      1.271993
  O      -1.420542      9.179918      1.330031
  C      -3.653924      9.045903      2.115089
  C      -4.962063      9.565030      2.121098
  C      -5.939764      8.996888      2.928771
  C      -5.606650      7.909757      3.730757
  F      -6.594105      7.392251      4.498176
  C      -4.319107      7.347847      3.754391
  C      -3.880556      6.160047      4.575158
  O      -2.790508      5.652761      4.354938
  C      -4.807932      5.629930      5.670476
  C      -3.360820      7.945889      2.925937
  C      -6.862532     -5.514073      3.617228
  C      -6.174458     -4.639106      4.639268
  O      -4.977690     -4.779105      4.880457
  C      -6.978455     -3.578697      5.319469
  C      -8.352875     -3.402005      5.079018
  C      -9.052745     -2.373628      5.704261
  C      -8.360628     -1.502126      6.543043
  F      -9.060660     -0.496143      7.126272
  C      -6.994202     -1.635274      6.809982
  C      -6.159479     -0.665484      7.600734
  O      -5.151937     -1.061667      8.169324
  C      -6.548195      0.821169      7.575445
  C      -6.328062     -2.703051      6.196772
  H      -0.780246     -5.460195      0.825820
  H      -2.492019     -5.701329      1.312041
  H      -2.115973     -4.791490     -0.159898
  H      -4.218630     -4.099468      0.558567
  H      -6.268898     -2.759808      1.032519
  H      -3.248264      1.585728      3.319463
  H      -2.026332      0.487581      3.959096
  H      -1.989720     -1.680311      3.322442
  H      -3.288881     11.634734      0.910625
  H      -3.687277     10.478307     -0.367576
  H      -2.001036     11.071776     -0.203442
  H      -5.224057     10.418147      1.495279
  H      -6.959166      9.377985      2.949395
  H      -5.144340      6.492942      6.281736
  H      -5.705774      5.235671      5.164913
  H      -2.352873      7.529361      2.919761
  H      -7.700242     -6.062210      4.070375
  H      -6.136909     -6.225586      3.209369
  H      -7.277285     -4.902285      2.800775
  H      -8.888058     -4.069547      4.401282
  H     -10.120335     -2.226033      5.543838
  H      -7.297526      0.963774      8.382145
  H      -7.058648      1.038358      6.627086
  H      -5.258393     -2.819038      6.369815
  N      -5.691250      2.716045      4.998973
87
Coordinates from ORCA-job orca E -6506.321862686477
  N      -2.937412      1.729698      5.396519
  Mo     -4.521084      2.648227      6.205023
  N      -5.389351      1.687701      7.723366
  C      -4.807901      1.731503      9.069073
  C      -3.284263      1.741078      8.996270
  N      -2.834684      2.752501      8.028854
  C      -1.581090      2.426571      7.334763
  C      -1.811137      1.370040      6.259437
  C      -2.906355      4.128538      8.528770
  C      -3.158438      5.092622      7.375833
  N      -4.222832      4.594052      6.505733
  H      -0.885755      1.292152      5.658797
  H      -1.968746      0.374862      6.722373
  H      -1.224513      3.345296      6.847327
  H      -0.796178      2.091600      8.040548
  H      -3.446647      6.075725      7.792306
  H      -2.233940      5.258948      6.793434
  H      -3.755222      4.178943      9.225636
  H      -1.994443      4.415255      9.088448
  H      -5.116463      0.850813      9.650789
  H      -5.178291      2.623324      9.612416
  H      -2.959255      0.756545      8.633414
  H      -2.836498      1.905400      9.996260
  C      -1.537454     -4.905925      0.820706
  C      -1.520304     -3.642566      1.650011
  O      -0.471301     -3.195842      2.104177
  C      -2.820161     -2.952370      1.918305
  C      -4.025350     -3.341965      1.315279
  C      -5.212761     -2.673501      1.605743
  C      -5.191395     -1.636077      2.528760
  F      -6.352728     -1.011166      2.809566
  C      -4.006897     -1.210870      3.154450
  C      -4.029365     -0.174140      4.233611
  O      -4.873111     -0.230610      5.111402
  C      -3.000746      0.955964      4.182603
  C      -2.827667     -1.876869      2.817551
  C      -2.933600     10.744689      0.323016
  C      -2.590291      9.595162      1.243849
  O      -1.453621      9.135435      1.283969
  C      -3.675463      9.025082      2.105099
  C      -4.978668      9.553850      2.126850
  C      -5.949925      8.996827      2.950596
  C      -5.614116      7.910572      3.752650
  F      -6.595432      7.404592      4.536029
  C      -4.330820      7.339533      3.761671
  C      -3.887948      6.153538      4.583948
  O      -2.800233      5.642503      4.357830
  C      -4.806358      5.627722      5.685530
  C      -3.379915      7.926985      2.917370
  C      -7.131795     -5.483977      3.595905
  C      -6.378670     -4.605402      4.569951
  O      -5.173594     -4.759942      4.751157
  C      -7.135585     -3.539250      5.294877
  C      -8.517446     -3.341823      5.121470
  C      -9.172523     -2.309525      5.785407
  C      -8.429935     -1.456781      6.597417
  F      -9.088798     -0.450219      7.223418
  C      -7.054944     -1.612586      6.801392
  C      -6.173068     -0.667735      7.569815
  O      -5.154728     -1.089252      8.099381
  C      -6.538644      0.824795      7.578350
  C      -6.433103     -2.682202      6.148515
  H      -0.520033     -5.303817      0.751755
  H      -2.201497     -5.654855      1.276918
  H      -1.919694     -4.706390     -0.191972
  H      -4.046466     -4.171073      0.608480
  H      -6.157258     -2.950235      1.136342
  H      -3.296560      1.580490      3.317204
  H      -2.014926      0.530290      3.916348
  H      -1.884054     -1.600200      3.289705
  H      -3.300324     11.609938      0.896098
  H      -3.734384     10.458478     -0.375737
  H      -2.040013     11.032053     -0.240368
  H      -5.242664     10.406532      1.501245
  H      -6.967122      9.386335      2.983975
  H      -5.133544      6.492041      6.298323
  H      -5.708805      5.236612      5.189550
  H      -2.374691      7.503169      2.899769
  H      -7.946135     -6.024063      4.101378
  H      -6.436120     -6.203604      3.151167
  H      -7.589679     -4.875196      2.800991
  H      -9.092974     -3.995447      4.465265
  H     -10.244552     -2.145856      5.676665
  H      -7.272674      0.965097      8.399601
  H      -7.061346      1.065137      6.642833
  H      -5.359015     -2.817217      6.273830
  N      -5.686502      2.711507      5.003388
87
Coordinates from ORCA-job orca E -6506.322116040008
  N      -2.919878      1.735307      5.408551
  Mo     -4.503874      2.644752      6.225453
  N      -5.367683      1.674964      7.737039
  C      -4.785943      1.712768      9.082538
  C      -3.262536      1.723514      9.010143
  N      -2.812525      2.738796      8.046687
  C      -1.561319      2.412590      7.350010
  C      -1.798325      1.361674      6.270216
  C      -2.880702      4.113931      8.551076
  C      -3.139762      5.082181      7.402648
  N      -4.214531      4.590352      6.540307
  H      -0.874266      1.275984      5.669611
  H      -1.966257      0.367008      6.730244
  H      -1.203078      3.332373      6.866379
  H      -0.776652      2.072080      8.052920
  H      -3.420898      6.065015      7.825441
  H      -2.220426      5.247140      6.812033
  H      -3.724165      4.162833      9.254176
  H      -1.964736      4.399266      9.104476
  H      -5.095272      0.830210      9.660688
  H      -5.155522      2.603166      9.628887
  H      -2.936047      0.740558      8.643832
  H      -2.816227      1.884859     10.011180
  C      -1.335838     -4.793231      0.748621
  C      -1.362337     -3.563474      1.626681
  O      -0.325961     -3.084377      2.078259
  C      -2.687260     -2.942674      1.940703
  C      -3.888646     -3.389961      1.370954
  C      -5.098073     -2.780520      1.696740
  C      -5.101512     -1.743422      2.621033
  F      -6.281492     -1.168530      2.924757
  C      -3.922107     -1.261735      3.215022
  C      -3.962739     -0.217973      4.287950
  O      -4.788756     -0.295502      5.181772
  C      -2.992581      0.960720      4.196755
  C      -2.721836     -1.869404      2.842975
  C      -2.997331     10.645456      0.243041
  C      -2.647345      9.496514      1.161744
  O      -1.518683      9.016442      1.171636
  C      -3.714627      8.959134      2.066261
  C      -5.007833      9.508184      2.117232
  C      -5.962597      8.980290      2.978874
  C      -5.619374      7.903083      3.790065
  F      -6.585118      7.425680      4.609926
  C      -4.344909      7.313795      3.772955
  C      -3.893421      6.137361      4.605295
  O      -2.812706      5.615444      4.368009
  C      -4.798836      5.626214      5.723075
  C      -3.411312      7.871942      2.890239
  C      -7.362086     -5.376075      3.505710
  C      -6.557603     -4.523415      4.463073
  O      -5.342323     -4.668866      4.562994
  C      -7.272547     -3.469179      5.246100
  C      -8.659534     -3.258142      5.140947
  C      -9.274867     -2.234759      5.854076
  C      -8.488853     -1.406395      6.648437
  F      -9.110716     -0.409838      7.325500
  C      -7.107527     -1.579415      6.789096
  C      -6.185938     -0.665123      7.546522
  O      -5.165715     -1.113050      8.048844
  C      -6.528971      0.830915      7.586865
  C      -6.524850     -2.637578      6.085250
  H      -0.301639     -5.138910      0.646054
  H      -1.954252     -5.592933      1.183880
  H      -1.746759     -4.571065     -0.248089
  H      -3.889103     -4.217086      0.660758
  H      -6.039865     -3.100228      1.250159
  H      -3.356741      1.572695      3.350138
  H      -1.999544      0.587780      3.886358
  H      -1.779001     -1.544607      3.285520
  H      -3.324513     11.523138      0.821379
  H      -3.827079     10.371369     -0.426129
  H      -2.117481     10.908674     -0.352424
  H      -5.277561     10.354000      1.484670
  H      -6.972923      9.386049      3.035509
  H      -5.106264      6.496729      6.336594
  H      -5.713270      5.243297      5.244737
  H      -2.412610      7.433090      2.851521
  H      -8.143534     -5.938823      4.038968
  H      -6.690114     -6.075915      2.998285
  H      -7.869233     -4.745271      2.759532
  H      -9.269360     -3.892041      4.497609
  H     -10.349525     -2.059872      5.797530
  H      -7.256074      0.968071      8.414957
  H      -7.053612      1.094813      6.658890
  H      -5.447881     -2.784679      6.160635
  N      -5.666665      2.699640      5.020209
87
Coordinates from ORCA-job orca E -6506.322629910857
  N      -2.956906      1.735183      5.417787
  Mo     -4.530724      2.658277      6.237332
  N      -5.407323      1.692223      7.742465
  C      -4.832448      1.727524      9.090584
  C      -3.308691      1.717078      9.024588
  N      -2.839570      2.723176      8.060899
  C      -1.593029      2.374606      7.366280
  C      -1.848253      1.331615      6.282401
  C      -2.885373      4.099572      8.565024
  C      -3.134311      5.071999      7.418058
  N      -4.223244      4.599664      6.562538
  H      -0.923936      1.226020      5.685158
  H      -2.041363      0.339831      6.738839
  H      -1.216277      3.288601      6.885479
  H      -0.816364      2.017657      8.070032
  H      -3.395582      6.059503      7.842913
  H      -2.215879      5.220574      6.821624
  H      -3.725069      4.161272      9.271695
  H      -1.962827      4.371279      9.114202
  H      -5.155569      0.850034      9.669179
  H      -5.193290      2.624073      9.632822
  H      -2.993810      0.728870      8.662195
  H      -2.865012      1.874613     10.027289
  C      -1.298715     -4.630230      0.584770
  C      -1.347423     -3.446929      1.523454
  O      -0.318569     -2.965047      1.988997
  C      -2.683554     -2.872390      1.875413
  C      -3.881591     -3.339981      1.314710
  C      -5.101581     -2.771888      1.673587
  C      -5.118317     -1.754138      2.618818
  F      -6.307979     -1.213618      2.946348
  C      -3.942958     -1.254020      3.205825
  C      -3.991579     -0.225467      4.292893
  O      -4.792286     -0.336897      5.206684
  C      -3.042838      0.972196      4.200109
  C      -2.733135     -1.820827      2.802234
  C      -2.950013     10.570561      0.193826
  C      -2.616794      9.416318      1.112293
  O      -1.503524      8.901687      1.102138
  C      -3.680945      8.918122      2.042449
  C      -4.957625      9.502765      2.110819
  C      -5.910566      9.009611      2.994806
  C      -5.581776      7.931949      3.811435
  F      -6.545938      7.489142      4.652496
  C      -4.323514      7.308877      3.778901
  C      -3.887314      6.130582      4.616733
  O      -2.817519      5.588270      4.376478
  C      -4.792229      5.644556      5.746183
  C      -3.391766      7.832300      2.873210
  C      -7.303718     -5.465798      3.637806
  C      -6.525614     -4.590398      4.596236
  O      -5.320659     -4.759462      4.762523
  C      -7.256523     -3.505428      5.320087
  C      -8.637232     -3.287659      5.162229
  C      -9.267417     -2.238896      5.823506
  C      -8.501845     -1.393374      6.619407
  F      -9.138222     -0.373811      7.246868
  C      -7.127071     -1.570815      6.810155
  C      -6.225738     -0.644570      7.576842
  O      -5.223164     -1.085809      8.118938
  C      -6.569434      0.851255      7.588671
  C      -6.529461     -2.653059      6.156950
  H      -0.257311     -4.943899      0.456658
  H      -1.892289     -5.467449      0.982084
  H      -1.724403     -4.367715     -0.395848
  H      -3.871368     -4.151340      0.586686
  H      -6.041773     -3.109295      1.236633
  H      -3.443981      1.590267      3.375074
  H      -2.049906      0.627561      3.857463
  H      -1.793070     -1.478821      3.236974
  H      -3.235665     11.461404      0.774048
  H      -3.802171     10.319828     -0.455934
  H      -2.075055     10.802250     -0.421868
  H      -5.216044     10.349017      1.474086
  H      -6.908682      9.443131      3.065142
  H      -5.072789      6.524583      6.359179
  H      -5.720610      5.280987      5.279981
  H      -2.406246      7.366614      2.821819
  H      -8.120383     -5.991906      4.155807
  H      -6.624141     -6.198585      3.189909
  H      -7.763024     -4.855605      2.844866
  H      -9.230639     -3.937077      4.518923
  H     -10.338175     -2.058629      5.726689
  H      -7.307773      1.001809      8.404586
  H      -7.080387      1.102448      6.649520
  H      -5.456519     -2.805287      6.272361
  N      -5.686591      2.722554      5.025715
87
Coordinates from ORCA-job orca E -6506.322954313052
  N      -2.964532      1.732115      5.435803
  Mo     -4.534828      2.650875      6.264907
  N      -5.407744      1.684515      7.770672
  C      -4.831581      1.725144      9.118203
  C      -3.308046      1.705520      9.049869
  N      -2.835326      2.706128      8.081974
  C      -1.593123      2.347175      7.383993
  C      -1.860952      1.309534      6.297636
  C      -2.871363      4.084128      8.583550
  C      -3.125680      5.056330      7.437414
  N      -4.227780      4.591612      6.594361
  H      -0.938466      1.194826      5.698732
  H      -2.065940      0.318433      6.750201
  H      -1.209119      3.258785      6.904027
  H      -0.818037      1.981814      8.085206
  H      -3.374287      6.046614      7.863246
  H      -2.212421      5.195991      6.830734
  H      -3.704770      4.150665      9.297278
  H      -1.942911      4.352882      9.124137
  H      -5.159176      0.853249      9.702360
  H      -5.186087      2.627425      9.655062
  H      -2.998709      0.714250      8.691199
  H      -2.862497      1.864880     10.051452
  C      -1.182580     -4.501099      0.491679
  C      -1.259349     -3.346622      1.464085
  O      -0.241396     -2.852437      1.941170
  C      -2.608299     -2.817452      1.836968
  C      -3.798216     -3.317784      1.286443
  C      -5.030929     -2.791626      1.665063
  C      -5.067281     -1.778687      2.614575
  F      -6.269514     -1.280651      2.963289
  C      -3.901473     -1.248405      3.193807
  C      -3.971624     -0.230027      4.288875
  O      -4.764464     -0.367286      5.205302
  C      -3.052100      0.990647      4.204868
  C      -2.679490     -1.776697      2.774312
  C      -2.964283     10.458506      0.125660
  C      -2.633242      9.314299      1.057609
  O      -1.530784      8.777276      1.031955
  C      -3.689880      8.845791      2.011576
  C      -4.957128      9.449674      2.090289
  C      -5.902989      8.983326      2.995972
  C      -5.576969      7.913365      3.823887
  F      -6.534824      7.496370      4.684972
  C      -4.327866      7.272517      3.782562
  C      -3.894306      6.101724      4.632099
  O      -2.828999      5.550440      4.393293
  C      -4.793094      5.637739      5.776760
  C      -3.402986      7.768985      2.854779
  C      -7.387469     -5.404524      3.623976
  C      -6.603054     -4.551522      4.596793
  O      -5.399702     -4.733849      4.761130
  C      -7.325660     -3.475392      5.341563
  C      -8.705396     -3.246798      5.191999
  C      -9.325433     -2.200512      5.867459
  C      -8.550266     -1.367771      6.668041
  F      -9.176741     -0.348934      7.307499
  C      -7.176066     -1.557613      6.851837
  C      -6.264460     -0.645560      7.623729
  O      -5.264341     -1.099909      8.159131
  C      -6.581804      0.856829      7.623786
  C      -6.589598     -2.638521      6.186336
  H      -0.133586     -4.781136      0.349533
  H      -1.749183     -5.367179      0.865843
  H      -1.621195     -4.221723     -0.478652
  H      -3.771874     -4.123828      0.553159
  H      -5.966234     -3.158700      1.241138
  H      -3.487762      1.616112      3.403637
  H      -2.056943      0.681784      3.835363
  H      -1.745755     -1.412339      3.204542
  H      -3.222849     11.363559      0.696488
  H      -3.833008     10.212494     -0.503772
  H      -2.097018     10.664589     -0.510264
  H      -5.213480     10.289659      1.444450
  H      -6.893605      9.431707      3.074573
  H      -5.053232      6.526483      6.386506
  H      -5.732895      5.284495      5.324976
  H      -2.425019      7.288999      2.796182
  H      -8.209582     -5.931674      4.131535
  H      -6.713617     -6.135808      3.165358
  H      -7.839822     -4.776974      2.840522
  H      -9.305631     -3.884377      4.542861
  H     -10.395140     -2.011211      5.776786
  H      -7.317647      1.024543      8.438537
  H      -7.089749      1.109524      6.683427
  H      -5.516992     -2.797194      6.293078
  N      -5.690744      2.705264      5.052819
87
Coordinates from ORCA-job orca E -6506.323210772516
  N      -2.968747      1.737440      5.450150
  Mo     -4.536434      2.652228      6.284826
  N      -5.410181      1.680419      7.784326
  C      -4.836048      1.718386      9.132913
  C      -3.312495      1.692775      9.066577
  N      -2.834507      2.692960      8.100759
  C      -1.594098      2.328322      7.402178
  C      -1.870618      1.298133      6.310586
  C      -2.864608      4.070646      8.604583
  C      -3.118850      5.046002      7.461095
  N      -4.230124      4.591457      6.624282
  H      -0.949129      1.176160      5.711410
  H      -2.086790      0.307289      6.757833
  H      -1.202762      3.239204      6.926677
  H      -0.822660      1.953607      8.102383
  H      -3.356317      6.037924      7.889463
  H      -2.207988      5.177889      6.848904
  H      -3.695209      4.139007      9.321420
  H      -1.933153      4.335391      9.141890
  H      -5.168351      0.847675      9.716105
  H      -5.187325      2.622131      9.669273
  H      -3.005999      0.700808      8.707402
  H      -2.868194      1.849352     10.069154
  C      -1.076080     -4.360920      0.393311
  C      -1.175548     -3.237951      1.400454
  O      -0.166401     -2.724924      1.877018
  C      -2.534580     -2.759627      1.803371
  C      -3.716704     -3.297132      1.270793
  C      -4.959567     -2.819794      1.679096
  C      -5.012810     -1.814430      2.635742
  F      -6.225061     -1.363835      3.013318
  C      -3.855729     -1.248343      3.198232
  C      -3.941476     -0.240572      4.301886
  O      -4.726736     -0.398634      5.221235
  C      -3.059412      1.007513      4.212749
  C      -2.624295     -1.731280      2.752497
  C      -2.971745     10.360538      0.064527
  C      -2.645713      9.220990      1.003990
  O      -1.549213      8.672056      0.974680
  C      -3.694809      8.781448      1.980119
  C      -4.953395      9.402350      2.066479
  C      -5.892029      8.962032      2.992398
  C      -5.567558      7.901556      3.833117
  F      -6.518526      7.509741      4.713396
  C      -4.326917      7.245327      3.785726
  C      -3.894791      6.084381      4.649377
  O      -2.836815      5.519943      4.409049
  C      -4.789332      5.640926      5.806484
  C      -3.409132      7.715386      2.837225
  C      -7.494129     -5.375218      3.627263
  C      -6.695136     -4.545779      4.608659
  O      -5.491204     -4.737552      4.756496
  C      -7.399210     -3.466027      5.365451
  C      -8.777955     -3.223102      5.231110
  C      -9.379499     -2.169678      5.912745
  C      -8.586257     -1.343971      6.702773
  F      -9.193831     -0.315582      7.345972
  C      -7.212130     -1.548725      6.871758
  C      -6.284088     -0.645408      7.634075
  O      -5.292669     -1.110698      8.175576
  C      -6.589554      0.859688      7.635291
  C      -6.644601     -2.637093      6.201912
  H      -0.020733     -4.600546      0.226350
  H      -1.605935     -5.257447      0.749409
  H      -1.540529     -4.067912     -0.560957
  H      -3.676197     -4.096337      0.530751
  H      -5.889771     -3.220377      1.274667
  H      -3.535394      1.629492      3.432517
  H      -2.063441      0.737095      3.816946
  H      -1.696005     -1.340447      3.170910
  H      -3.211279     11.274420      0.629684
  H      -3.850946     10.120932     -0.552783
  H      -2.108853     10.548464     -0.583145
  H      -5.208535     10.234656      1.410297
  H      -6.876045      9.423357      3.076915
  H      -5.029026      6.537278      6.413607
  H      -5.739742      5.300428      5.366912
  H      -2.437703      7.222894      2.773874
  H      -8.321662     -5.898349      4.129788
  H      -6.831227     -6.108630      3.156643
  H      -7.940476     -4.731223      2.853815
  H      -9.392060     -3.854548      4.588882
  H     -10.448109     -1.968857      5.833964
  H      -7.325660      1.032652      8.448686
  H      -7.094387      1.116774      6.694400
  H      -5.572315     -2.805721      6.295307
  N      -5.688734      2.696923      5.068793
87
Coordinates from ORCA-job orca E -6506.323394069615
  N      -2.989236      1.730041      5.468298
  Mo     -4.548806      2.651748      6.306438
  N      -5.426368      1.683921      7.803922
  C      -4.851745      1.718441      9.152381
  C      -3.328258      1.680929      9.085653
  N      -2.842254      2.676419      8.119023
  C      -1.605690      2.300019      7.419676
  C      -1.895113      1.275421      6.325969
  C      -2.860862      4.055232      8.621184
  C      -3.110813      5.031370      7.477441
  N      -4.233179      4.589263      6.648633
  H      -0.976379      1.142999      5.724761
  H      -2.123377      0.286583      6.771068
  H      -1.204238      3.207429      6.946083
  H      -0.838938      1.914993      8.119302
  H      -3.332622      6.027165      7.905324
  H      -2.201949      5.149644      6.859368
  H      -3.688464      4.130820      9.340719
  H      -1.925560      4.313780      9.154737
  H      -5.191310      0.850669      9.736133
  H      -5.195563      2.625412      9.687938
  H      -3.029055      0.686437      8.727252
  H      -2.882939      1.834699     10.088207
  C      -0.976020     -4.191587      0.272797
  C      -1.099980     -3.102564      1.314176
  O      -0.102453     -2.564205      1.787201
  C      -2.468477     -2.692012      1.756986
  C      -3.637789     -3.275621      1.244791
  C      -4.890435     -2.862262      1.690588
  C      -4.965500     -1.873904      2.663380
  F      -6.187765     -1.480000      3.070653
  C      -3.822056     -1.262420      3.206493
  C      -3.926888     -0.267591      4.320774
  O      -4.700190     -0.452411      5.245773
  C      -3.084951      1.008672      4.226213
  C      -2.581137     -1.682481      2.723628
  C      -2.964311     10.260011      0.004811
  C      -2.645075      9.127043      0.954469
  O      -1.561419      8.554067      0.912675
  C      -3.688185      8.717549      1.949929
  C      -4.934276      9.361810      2.046416
  C      -5.866968      8.949613      2.991141
  C      -5.549102      7.893858      3.840328
  F      -6.493700      7.530507      4.739717
  C      -4.321327      7.214875      3.783208
  C      -3.896772      6.058056      4.655932
  O      -2.848205      5.477449      4.413388
  C      -4.783824      5.642003      5.829426
  C      -3.409253      7.656983      2.815902
  C      -7.566093     -5.351511      3.651132
  C      -6.757902     -4.524493      4.627277
  O      -5.553339     -4.719153      4.765492
  C      -7.454612     -3.446675      5.393541
  C      -8.833633     -3.200996      5.270289
  C      -9.427628     -2.146078      5.956317
  C      -8.626277     -1.322067      6.739405
  F      -9.226397     -0.291685      7.386398
  C      -7.251466     -1.531228      6.899249
  C      -6.318028     -0.634714      7.662768
  O      -5.325810     -1.104588      8.198333
  C      -6.611665      0.871920      7.656728
  C      -6.691466     -2.620592      6.225196
  H       0.084479     -4.379969      0.075366
  H      -1.457647     -5.120643      0.613779
  H      -1.475632     -3.892086     -0.661471
  H      -3.579107     -4.061132      0.491316
  H      -5.811228     -3.299969      1.303764
  H      -3.600833      1.623947      3.466832
  H      -2.090116      0.776258      3.804755
  H      -1.660896     -1.254173      3.123185
  H      -3.177668     11.185440      0.561629
  H      -3.857563     10.029803     -0.595729
  H      -2.108350     10.422832     -0.658635
  H      -5.184061     10.190359      1.383436
  H      -6.841512      9.429511      3.084003
  H      -4.996523      6.548525      6.431503
  H      -5.747172      5.317899      5.406614
  H      -2.447770      7.146683      2.745405
  H      -8.393126     -5.871337      4.158057
  H      -6.908439     -6.087576      3.177045
  H      -8.014079     -4.706009      2.879756
  H      -9.454269     -3.831113      4.633188
  H     -10.496417     -1.943051      5.886275
  H      -7.346953      1.054314      8.468513
  H      -7.113306      1.129032      6.713946
  H      -5.619622     -2.793417      6.312822
  N      -5.699090      2.686628      5.087987
87
Coordinates from ORCA-job orca E -6506.323530234245
  N      -2.998420      1.719634      5.474970
  Mo     -4.550202      2.648352      6.316663
  N      -5.429311      1.683057      7.813866
  C      -4.851009      1.711885      9.161189
  C      -3.327695      1.666015      9.090732
  N      -2.838276      2.660346      8.124614
  C      -1.604616      2.278687      7.422739
  C      -1.901974      1.259067      6.326780
  C      -2.849649      4.039069      8.627571
  C      -3.096264      5.017373      7.484946
  N      -4.225187      4.584222      6.660582
  H      -0.986317      1.125144      5.721164
  H      -2.132790      0.269769      6.769144
  H      -1.197856      3.184980      6.951619
  H      -0.839968      1.886411      8.120615
  H      -3.308105      6.014912      7.913690
  H      -2.188325      5.128003      6.863863
  H      -3.675968      4.118171      9.348269
  H      -1.912401      4.292800      9.160120
  H      -5.194562      0.845380      9.744546
  H      -5.188114      2.620096      9.698806
  H      -3.034925      0.670558      8.729840
  H      -2.879175      1.815295     10.092541
  C      -0.875509     -4.103484      0.231562
  C      -1.024004     -3.021598      1.277253
  O      -0.039572     -2.455762      1.745228
  C      -2.400960     -2.652625      1.729872
  C      -3.555755     -3.270424      1.224537
  C      -4.817177     -2.896294      1.680078
  C      -4.914745     -1.914527      2.657402
  F      -6.146250     -1.553483      3.067225
  C      -3.786643     -1.270629      3.196019
  C      -3.915714     -0.281682      4.313646
  O      -4.678616     -0.489719      5.242502
  C      -3.093486      1.008630      4.226243
  C      -2.536769     -1.649978      2.700585
  C      -2.984219     10.208230     -0.028892
  C      -2.662517      9.079205      0.924557
  O      -1.581968      8.500784      0.877164
  C      -3.697601      8.683066      1.933533
  C      -4.938602      9.336056      2.038817
  C      -5.863445      8.936853      2.996662
  C      -5.543079      7.885246      3.849944
  F      -6.479303      7.535858      4.763616
  C      -4.320844      7.197165      3.783672
  C      -3.895227      6.043237      4.659318
  O      -2.855651      5.450952      4.407049
  C      -4.773252      5.640600      5.844824
  C      -3.416328      7.626505      2.803579
  C      -7.660709     -5.323023      3.663067
  C      -6.839030     -4.506499      4.636730
  O      -5.632829     -4.703695      4.756167
  C      -7.522213     -3.429624      5.416485
  C      -8.900386     -3.173926      5.307694
  C      -9.479682     -2.115112      6.000834
  C      -8.663978     -1.296763      6.775125
  F      -9.249131     -0.260829      7.427072
  C      -7.289275     -1.517242      6.921451
  C      -6.340701     -0.628241      7.675247
  O      -5.350066     -1.106729      8.206096
  C      -6.621389      0.880508      7.669618
  C      -6.745032     -2.611591      6.243142
  H       0.188416     -4.257112      0.023201
  H      -1.323447     -5.047933      0.575791
  H      -1.394190     -3.818757     -0.696803
  H      -3.478623     -4.050096      0.466745
  H      -5.727731     -3.358052      1.296679
  H      -3.624803      1.623924      3.477619
  H      -2.098000      0.795402      3.795962
  H      -1.625947     -1.193829      3.091531
  H      -3.188758     11.137977      0.524016
  H      -3.883877      9.979134     -0.620214
  H      -2.133440     10.362762     -0.700744
  H      -5.190129     10.161287      1.372421
  H      -6.833562      9.424015      3.096839
  H      -4.967185      6.551958      6.446063
  H      -5.745746      5.327781      5.434752
  H      -2.459113      7.108985      2.726207
  H      -8.487565     -5.839490      4.173508
  H      -7.011627     -6.061133      3.180219
  H      -8.109466     -4.670451      2.897982
  H      -9.532219     -3.798357      4.675854
  H     -10.547550     -1.904185      5.941852
  H      -7.353060      1.069579      8.483066
  H      -7.122867      1.141552      6.727807
  H      -5.674540     -2.794046      6.322123
  N      -5.702194      2.678216      5.099699
87
Coordinates from ORCA-job orca E -6506.323629199723
  N      -3.015756      1.706030      5.482325
  Mo     -4.556958      2.647655      6.324209
  N      -5.438030      1.685988      7.821569
  C      -4.854883      1.707880      9.167391
  C      -3.332226      1.653973      9.092689
  N      -2.839938      2.647364      8.127656
  C      -1.609215      2.261036      7.423989
  C      -1.913756      1.245004      6.327155
  C      -2.845040      4.026155      8.630782
  C      -3.086199      5.006189      7.488487
  N      -4.220746      4.582121      6.667662
  H      -1.002015      1.111699      5.715649
  H      -2.143883      0.255055      6.768064
  H      -1.197319      3.166065      6.955074
  H      -0.846998      1.862136      8.120696
  H      -3.287885      6.005717      7.917362
  H      -2.178145      5.108635      6.865682
  H      -3.671648      4.109099      9.350764
  H      -1.907096      4.275317      9.164425
  H      -5.201732      0.842170      9.749770
  H      -5.185299      2.616703      9.708042
  H      -3.046354      0.657811      8.728318
  H      -2.880015      1.797808     10.093661
  C      -0.785927     -4.010585      0.181449
  C      -0.958545     -2.937067      1.232200
  O       0.011789     -2.342527      1.693652
  C      -2.342481     -2.612368      1.697196
  C      -3.481966     -3.261780      1.197111
  C      -4.749926     -2.929974      1.666665
  C      -4.868534     -1.958536      2.652318
  F      -6.107360     -1.637388      3.072804
  C      -3.756087     -1.285124      3.188036
  C      -3.903603     -0.310396      4.316483
  O      -4.669157     -0.535383      5.239196
  C      -3.108442      0.997694      4.231328
  C      -2.500233     -1.622406      2.677242
  C      -2.988779     10.167665     -0.054765
  C      -2.668786      9.039637      0.900277
  O      -1.591634      8.455170      0.849375
  C      -3.698641      8.656038      1.919195
  C      -4.933324      9.319853      2.032077
  C      -5.852913      8.933275      2.999999
  C      -5.533822      7.883211      3.855565
  F      -6.463563      7.548712      4.781484
  C      -4.318838      7.183151      3.780639
  C      -3.896915      6.028021      4.656254
  O      -2.865300      5.424937      4.397475
  C      -4.765266      5.641854      5.854819
  C      -3.419070      7.600522      2.791056
  C      -7.744769     -5.313064      3.692673
  C      -6.906518     -4.494720      4.650760
  O      -5.700092     -4.698255      4.756816
  C      -7.576856     -3.417519      5.441055
  C      -8.954453     -3.155237      5.345600
  C      -9.522089     -2.093065      6.043360
  C      -8.695096     -1.277816      6.808396
  F      -9.268428     -0.236888      7.462850
  C      -7.320257     -1.505939      6.943213
  C      -6.361385     -0.619778      7.687420
  O      -5.370180     -1.102756      8.213114
  C      -6.635273      0.890049      7.683830
  C      -6.787587     -2.604287      6.261843
  H       0.279903     -4.126275     -0.041083
  H      -1.195856     -4.970093      0.531273
  H      -1.326837     -3.743831     -0.739422
  H      -3.387625     -4.032045      0.431629
  H      -5.649591     -3.414721      1.286811
  H      -3.656113      1.605808      3.488910
  H      -2.111137      0.804903      3.796304
  H      -1.599494     -1.142015      3.061572
  H      -3.186082     11.100358      0.495796
  H      -3.892991      9.941900     -0.640494
  H      -2.140934     10.315122     -0.731720
  H      -5.183478     10.143913      1.363740
  H      -6.817612      9.429712      3.106694
  H      -4.937510      6.559120      6.453730
  H      -5.747581      5.342243      5.459037
  H      -2.467409      7.073760      2.707369
  H      -8.572834     -5.815588      4.214809
  H      -7.106853     -6.062461      3.212131
  H      -8.192559     -4.664196      2.924132
  H      -9.595734     -3.776825      4.720454
  H     -10.589452     -1.877238      5.994403
  H      -7.361315      1.084162      8.501116
  H      -7.140452      1.152828      6.744464
  H      -5.717475     -2.793700      6.333098
  N      -5.711520      2.668384      5.109540
87
Coordinates from ORCA-job orca E -6506.323691789217
  N      -3.015001      1.702406      5.478819
  Mo     -4.554483      2.644734      6.321635
  N      -5.433818      1.679354      7.817775
  C      -4.848227      1.697176      9.162779
  C      -3.325616      1.645186      9.085533
  N      -2.835874      2.642597      8.123375
  C      -1.604833      2.261408      7.417705
  C      -1.907155      1.246873      6.318972
  C      -2.843409      4.019938      8.630303
  C      -3.086050      5.002761      7.490651
  N      -4.220118      4.579255      6.669031
  H      -0.996899      1.120587      5.704064
  H      -2.130411      0.254397      6.758034
  H      -1.195709      3.168877      6.951154
  H      -0.840825      1.862640      8.112578
  H      -3.289168      6.000724      7.922581
  H      -2.178085      5.109122      6.868213
  H      -3.670781      4.099573      9.349768
  H      -1.906457      4.269248      9.165657
  H      -5.193251      0.829456      9.743017
  H      -5.178654      2.604082      9.706827
  H      -3.039570      0.650675      8.716711
  H      -2.872056      1.785565     10.086356
  C      -0.719324     -3.956505      0.148119
  C      -0.906111     -2.883892      1.197218
  O       0.054737     -2.264968      1.646423
  C      -2.291857     -2.594744      1.680836
  C      -3.421175     -3.272635      1.195574
  C      -4.690827     -2.971017      1.680609
  C      -4.821244     -2.000063      2.665307
  F      -6.062330     -1.710274      3.101075
  C      -3.719329     -1.298515      3.186773
  C      -3.878676     -0.324532      4.314690
  O      -4.629491     -0.565719      5.245226
  C      -3.104579      0.995837      4.226632
  C      -2.461678     -1.607580      2.661941
  C      -2.995835     10.157756     -0.060531
  C      -2.672273      9.034639      0.899026
  O      -1.599270      8.443271      0.840512
  C      -3.700048      8.653596      1.920958
  C      -4.933179      9.319640      2.036322
  C      -5.850980      8.935913      3.007057
  C      -5.531568      7.886266      3.862983
  F      -6.459551      7.555318      4.791891
  C      -4.318183      7.183445      3.785313
  C      -3.896686      6.026972      4.659564
  O      -2.866273      5.422485      4.399100
  C      -4.764505      5.640048      5.858014
  C      -3.420308      7.598130      2.792886
  C      -7.841248     -5.337846      3.738000
  C      -6.984596     -4.509062      4.670423
  O      -5.777619     -4.716719      4.761029
  C      -7.636497     -3.413488      5.450945
  C      -9.011727     -3.136336      5.362876
  C      -9.562597     -2.062665      6.056590
  C      -8.721789     -1.252469      6.811731
  F      -9.279790     -0.203145      7.465845
  C      -7.348630     -1.495156      6.938770
  C      -6.375486     -0.619935      7.677325
  O      -5.383476     -1.113201      8.191966
  C      -6.636858      0.892016      7.681074
  C      -6.832422     -2.601899      6.258716
  H       0.346131     -4.044601     -0.088670
  H      -1.098599     -4.924868      0.508261
  H      -1.279812     -3.709020     -0.766330
  H      -3.317542     -4.042121      0.430431
  H      -5.583248     -3.477568      1.312210
  H      -3.663819      1.597797      3.488047
  H      -2.106918      0.817679      3.786544
  H      -1.567359     -1.105155      3.033186
  H      -3.187924     11.094111      0.485561
  H      -3.904023      9.930215     -0.639460
  H      -2.151876     10.299572     -0.743465
  H      -5.183476     10.143525      1.367818
  H      -6.814291      9.434610      3.115994
  H      -4.934472      6.557099      6.457876
  H      -5.747688      5.342178      5.463357
  H      -2.469967      7.069207      2.706895
  H      -8.666692     -5.824078      4.279378
  H      -7.215518     -6.100902      3.263052
  H      -8.293330     -4.699002      2.963496
  H      -9.664459     -3.755702      4.747599
  H     -10.627989     -1.835847      6.013839
  H      -7.358949      1.088253      8.501293
  H      -7.143045      1.162394      6.744358
  H      -5.764452     -2.803535      6.325317
  N      -5.710950      2.663932      5.108834
87
Coordinates from ORCA-job orca E -6506.323724689861
  N      -3.033768      1.696978      5.477281
  Mo     -4.565697      2.646745      6.323101
  N      -5.443148      1.679560      7.819425
  C      -4.853373      1.692540      9.162621
  C      -3.331395      1.638044      9.080547
  N      -2.842528      2.636994      8.119949
  C      -1.614190      2.255075      7.410424
  C      -1.920767      1.242311      6.311162
  C      -2.846640      4.013145      8.630148
  C      -3.089926      4.999299      7.493483
  N      -4.226876      4.580459      6.673559
  H      -1.013510      1.119202      5.691271
  H      -2.140492      0.248401      6.748917
  H      -1.204563      3.162761      6.944684
  H      -0.848698      1.853755      8.102327
  H      -3.289860      5.996539      7.928660
  H      -2.183078      5.106089      6.869438
  H      -3.673052      4.092663      9.350773
  H      -1.908688      4.259367      9.165177
  H      -5.197594      0.823267      9.741115
  H      -5.181218      2.598136      9.710515
  H      -3.048813      0.644170      8.707292
  H      -2.874486      1.773893     10.080437
  C      -0.667319     -3.877562      0.103195
  C      -0.871230     -2.818285      1.162408
  O       0.077718     -2.177789      1.606623
  C      -2.259974     -2.564192      1.657412
  C      -3.377262     -3.263480      1.175067
  C      -4.649858     -2.991769      1.669968
  C      -4.795704     -2.028390      2.660286
  F      -6.040451     -1.766310      3.102570
  C      -3.705895     -1.305374      3.178152
  C      -3.876972     -0.338381      4.310547
  O      -4.616053     -0.597035      5.245591
  C      -3.123442      0.994086      4.223146
  C      -2.445578     -1.586206      2.644690
  C      -2.972801     10.136999     -0.068304
  C      -2.659086      9.008262      0.887990
  O      -1.587195      8.414410      0.834016
  C      -3.686584      8.638772      1.914304
  C      -4.914775      9.313812      2.029996
  C      -5.833041      8.940199      3.004246
  C      -5.518802      7.891884      3.863719
  F      -6.446972      7.571449      4.796105
  C      -4.310214      7.180568      3.786214
  C      -3.894562      6.024566      4.663784
  O      -2.868747      5.412368      4.403464
  C      -4.765428      5.643548      5.861957
  C      -3.411916      7.585067      2.789984
  C      -7.896197     -5.374187      3.800581
  C      -7.023034     -4.519952      4.693846
  O      -5.812291     -4.715366      4.757813
  C      -7.665397     -3.414699      5.468637
  C      -9.041664     -3.139594      5.391428
  C      -9.587463     -2.061931      6.082562
  C      -8.741804     -1.248221      6.828028
  F      -9.296714     -0.198957      7.484741
  C      -7.367428     -1.489363      6.946157
  C      -6.392337     -0.615617      7.683987
  O      -5.397032     -1.110036      8.191194
  C      -6.649579      0.896923      7.687881
  C      -6.854564     -2.596822      6.263905
  H       0.397392     -3.935042     -0.145834
  H      -1.015954     -4.858050      0.461464
  H      -1.244590     -3.640175     -0.803388
  H      -3.261977     -4.027252      0.405893
  H      -5.533143     -3.515213      1.303944
  H      -3.696085      1.591281      3.491144
  H      -2.125885      0.832606      3.775967
  H      -1.559635     -1.067824      3.013448
  H      -3.159175     11.073227      0.480017
  H      -3.881379      9.917365     -0.649588
  H      -2.126574     10.274956     -0.749257
  H      -5.160945     10.136778      1.358839
  H      -6.792528      9.446087      3.113517
  H      -4.928843      6.562399      6.461007
  H      -5.750840      5.351870      5.468159
  H      -2.465476      7.049338      2.703926
  H      -8.705325     -5.852706      4.372386
  H      -7.277391     -6.143959      3.327343
  H      -8.370998     -4.755185      3.023542
  H      -9.699138     -3.763308      4.785630
  H     -10.653375     -1.836395      6.047088
  H      -7.367617      1.096330      8.510730
  H      -7.158871      1.168196      6.753029
  H      -5.785536     -2.796796      6.322351
  N      -5.726091      2.666459      5.114220
87
Coordinates from ORCA-job orca E -6506.323744751633
  N      -3.034522      1.700024      5.473638
  Mo     -4.568275      2.647634      6.318399
  N      -5.443811      1.675630      7.813196
  C      -4.854986      1.688525      9.156661
  C      -3.333028      1.639668      9.075273
  N      -2.847168      2.641754      8.116465
  C      -1.617552      2.264427      7.406926
  C      -1.919984      1.249938      6.307803
  C      -2.855984      4.016994      8.629041
  C      -3.101931      5.004337      7.493936
  N      -4.235757      4.582275      6.671069
  H      -1.012042      1.131032      5.688057
  H      -2.135301      0.255049      6.745394
  H      -1.211482      3.173612      6.940936
  H      -0.849956      1.866477      8.098522
  H      -3.307333      5.999699      7.931089
  H      -2.194862      5.117024      6.871511
  H      -3.683238      4.092672      9.349123
  H      -1.919308      4.265174      9.165276
  H      -5.195830      0.816544      9.733180
  H      -5.186982      2.591660      9.706147
  H      -3.046923      0.647437      8.700319
  H      -2.877051      1.775286     10.075613
  C      -0.654894     -3.861835      0.086819
  C      -0.859970     -2.806019      1.149114
  O       0.088441     -2.166356      1.595756
  C      -2.248534     -2.556690      1.646967
  C      -3.365242     -3.256227      1.163781
  C      -4.637871     -2.986879      1.660120
  C      -4.784793     -2.026289      2.653167
  F      -6.029563     -1.764351      3.094907
  C      -3.695136     -1.303719      3.171824
  C      -3.864715     -0.340678      4.307617
  O      -4.599574     -0.605017      5.244400
  C      -3.121665      0.997423      4.219323
  C      -2.435229     -1.581377      2.636634
  C      -2.951820     10.144380     -0.060607
  C      -2.641351      9.017052      0.898522
  O      -1.571924      8.418772      0.844775
  C      -3.673970      8.646346      1.919272
  C      -4.902674      9.321225      2.029748
  C      -5.825954      8.946066      2.998744
  C      -5.516255      7.896212      3.858054
  F      -6.449669      7.573465      4.784358
  C      -4.307029      7.185484      3.786006
  C      -3.895425      6.028405      4.663990
  O      -2.864784      5.421013      4.411403
  C      -4.772740      5.644123      5.856326
  C      -3.403724      7.591527      2.794967
  C      -7.934806     -5.415856      3.846502
  C      -7.045299     -4.537272      4.699333
  O      -5.832746     -4.726807      4.742308
  C      -7.678237     -3.426411      5.474159
  C      -9.055899     -3.153897      5.410847
  C      -9.595857     -2.073361      6.101642
  C      -8.744025     -1.256418      6.836228
  F      -9.294011     -0.205896      7.495036
  C      -7.368289     -1.495451      6.942059
  C      -6.389479     -0.619966      7.672711
  O      -5.396555     -1.114645      8.184274
  C      -6.649526      0.892246      7.681053
  C      -6.860229     -2.604145      6.257619
  H       0.409595     -3.915908     -0.163951
  H      -1.000137     -4.844379      0.442939
  H      -1.234200     -3.623886     -0.818281
  H      -3.249744     -4.018393      0.393027
  H      -5.520296     -3.510803      1.292983
  H      -3.700143      1.590983      3.488924
  H      -2.123712      0.844633      3.769503
  H      -1.550006     -1.063263      3.007271
  H      -3.137720     11.081893      0.485633
  H      -3.859304      9.924622     -0.643509
  H      -2.103894     10.280026     -0.739946
  H      -5.145513     10.145279      1.358710
  H      -6.786079      9.451668      3.103858
  H      -4.943474      6.561965      6.454935
  H      -5.754582      5.348847      5.456139
  H      -2.456669      7.056236      2.713126
  H      -8.724213     -5.888706      4.449758
  H      -7.322977     -6.190172      3.371664
  H      -8.435961     -4.816035      3.071040
  H      -9.718505     -3.780859      4.814097
  H     -10.662133     -1.848345      6.074549
  H      -7.367239      1.088921      8.504888
  H      -7.160322      1.165034      6.747485
  H      -5.789880     -2.800874      6.304112
  N      -5.728550      2.668237      5.109485
87
Coordinates from ORCA-job orca E -6506.323752455648
  N      -3.036527      1.696867      5.478030
  Mo     -4.568509      2.648009      6.321546
  N      -5.446229      1.677577      7.816157
  C      -4.858357      1.690318      9.160039
  C      -3.336364      1.639945      9.079577
  N      -2.848825      2.640937      8.120363
  C      -1.619571      2.261542      7.411291
  C      -1.922874      1.246211      6.313068
  C      -2.856060      4.016367      8.632413
  C      -3.099945      5.003686      7.496904
  N      -4.233456      4.582478      6.673032
  H      -1.014753      1.125839      5.693769
  H      -2.139461      0.252020      6.751294
  H      -1.212496      3.169705      6.944182
  H      -0.852417      1.863654      8.103397
  H      -3.304991      5.999245      7.933801
  H      -2.192315      5.115350      6.875247
  H      -3.683531      4.093294      9.352112
  H      -1.919300      4.263448      9.168960
  H      -5.200215      0.818563      9.736360
  H      -5.190120      2.593675      9.709229
  H      -3.051094      0.647189      8.705440
  H      -2.880719      1.775641     10.080074
  C      -0.662553     -3.853340      0.076996
  C      -0.866692     -2.797548      1.139540
  O       0.081827     -2.156270      1.583739
  C      -2.254181     -2.551256      1.641346
  C      -3.370687     -3.253719      1.161871
  C      -4.642356     -2.988232      1.662744
  C      -4.788681     -2.028262      2.656432
  F      -6.032093     -1.771257      3.104762
  C      -3.698978     -1.303828      3.172224
  C      -3.866572     -0.343512      4.310495
  O      -4.601433     -0.608937      5.247056
  C      -3.123871      0.994642      4.223356
  C      -2.440111     -1.577351      2.632490
  C      -2.952218     10.137874     -0.065550
  C      -2.640903      9.012086      0.895133
  O      -1.571952      8.413022      0.840830
  C      -3.672868      8.642691      1.917053
  C      -4.901332      9.318005      2.027918
  C      -5.823786      8.944011      2.998138
  C      -5.513752      7.894668      3.857979
  F      -6.446232      7.572827      4.785507
  C      -4.304820      7.183675      3.785597
  C      -3.892638      6.027758      4.664702
  O      -2.863339      5.418590      4.410735
  C      -4.769604      5.644684      5.857837
  C      -3.402155      7.588682      2.793548
  C      -7.921065     -5.417291      3.848963
  C      -7.035242     -4.539557      4.706623
  O      -5.822611     -4.727439      4.752849
  C      -7.670845     -3.425515      5.474814
  C      -9.047505     -3.150160      5.401004
  C      -9.590508     -2.068068      6.087010
  C      -8.742297     -1.251979      6.826774
  F      -9.294379     -0.198069      7.478610
  C      -7.367768     -1.493237      6.942122
  C      -6.393703     -0.618005      7.679176
  O      -5.404126     -1.113065      8.196633
  C      -6.652327      0.894609      7.683947
  C      -6.856851     -2.604047      6.263209
  H       0.401157     -3.904594     -0.177704
  H      -1.003541     -4.836770      0.434881
  H      -1.246013     -3.617608     -0.826007
  H      -3.255801     -4.015372      0.390522
  H      -5.524129     -3.516104      1.299623
  H      -3.702859      1.588428      3.493598
  H      -2.125949      0.842771      3.773141
  H      -1.555318     -1.056607      3.000660
  H      -3.137493     11.076254      0.479407
  H      -3.860261      9.917248     -0.647271
  H      -2.104896     10.272309     -0.745873
  H      -5.144517     10.141534      1.356354
  H      -6.783628      9.449964      3.103686
  H      -4.939710      6.562776      6.456229
  H      -5.751765      5.349959      5.457966
  H      -2.455207      7.053211      2.711545
  H      -8.714148     -5.888262      4.448779
  H      -7.307732     -6.192660      3.377939
  H      -8.417526     -4.817701      3.070354
  H      -9.707056     -3.776910      4.800706
  H     -10.656047     -1.840683      6.051604
  H      -7.370927      1.093393      8.506460
  H      -7.161889      1.166059      6.749242
  H      -5.787165     -2.802343      6.317292
  N      -5.728233      2.670041      5.112142
87
Coordinates from ORCA-job orca E -6506.323754624927
  N      -3.030066      1.694831      5.481605
  Mo     -4.563762      2.644916      6.323199
  N      -5.441993      1.674707      7.817688
  C      -4.855774      1.689364      9.162324
  C      -3.333462      1.641357      9.083551
  N      -2.846387      2.642113      8.123499
  C      -1.616208      2.263417      7.415421
  C      -1.917463      1.245772      6.318688
  C      -2.855468      4.017969      8.634356
  C      -3.099882      5.004157      7.497928
  N      -4.231664      4.580198      6.672928
  H      -1.008368      1.124957      5.700806
  H      -2.133987      0.252233      6.758246
  H      -1.210627      3.171333      6.946500
  H      -0.848467      1.868256      8.108439
  H      -3.307678      5.999453      7.934123
  H      -2.191933      5.117196      6.877073
  H      -3.683201      4.094362      9.353806
  H      -1.919124      4.266585      9.170898
  H      -5.196904      0.817474      9.738852
  H      -5.189617      2.592595      9.710445
  H      -3.046089      0.648585      8.711099
  H      -2.879044      1.779131     10.084311
  C      -0.662932     -3.852136      0.068627
  C      -0.863534     -2.797876      1.133382
  O       0.086222     -2.155918      1.573947
  C      -2.249334     -2.552001      1.639612
  C      -3.366880     -3.256283      1.164904
  C      -4.637159     -2.992132      1.670044
  C      -4.781190     -2.031588      2.663274
  F      -6.023001     -1.775670      3.116389
  C      -3.690385     -1.305928      3.175036
  C      -3.856491     -0.345797      4.313685
  O      -4.588948     -0.612623      5.251971
  C      -3.116099      0.993367      4.226416
  C      -2.432690     -1.577718      2.630987
  C      -2.957261     10.138750     -0.064433
  C      -2.645897      9.010840      0.893771
  O      -1.574703      8.415625      0.841887
  C      -3.677419      8.640077      1.915667
  C      -4.906999      9.313424      2.026213
  C      -5.829175      8.937726      2.996040
  C      -5.517736      7.888764      3.855857
  F      -6.450129      7.564862      4.782763
  C      -4.307489      7.180008      3.784041
  C      -3.893327      6.025111      4.663524
  O      -2.862112      5.418688      4.410587
  C      -4.769605      5.640845      5.856674
  C      -3.405146      7.586683      2.792381
  C      -7.930757     -5.415790      3.848813
  C      -7.043945     -4.537220      4.704575
  O      -5.831953     -4.728226      4.753409
  C      -7.677912     -3.420989      5.471166
  C      -9.053396     -3.140415      5.393621
  C      -9.594233     -2.056376      6.078412
  C      -8.744667     -1.243452      6.820344
  F      -9.294181     -0.187217      7.470666
  C      -7.371414     -1.490040      6.938917
  C      -6.396400     -0.619226      7.679812
  O      -5.408655     -1.118056      8.197127
  C      -6.649823      0.894359      7.684324
  C      -6.863181     -2.602890      6.261776
  H       0.399678     -3.901870     -0.190932
  H      -1.000944     -4.836585      0.426523
  H      -1.250857     -3.615942     -0.831362
  H      -3.253946     -4.018325      0.393663
  H      -5.519339     -3.522477      1.311033
  H      -3.696905      1.586683      3.497682
  H      -2.118325      0.844255      3.774939
  H      -1.547443     -1.054793      2.995455
  H      -3.144757     11.075369      0.482809
  H      -3.863924      9.918297     -0.648328
  H      -2.108935     10.276223     -0.742899
  H      -5.151376     10.136616      1.354659
  H      -6.789999      9.441934      3.101246
  H      -4.942838      6.558594      6.454612
  H      -5.750608      5.343080      5.456213
  H      -2.457232      7.052932      2.710722
  H      -8.724555     -5.883363      4.450420
  H      -7.318629     -6.193524      3.380135
  H      -8.426250     -4.817762      3.068323
  H      -9.713659     -3.764899      4.791794
  H     -10.658745     -1.824754      6.040090
  H      -7.368644      1.094780      8.506258
  H      -7.157886      1.167723      6.749361
  H      -5.794642     -2.805169      6.318928
  N      -5.722131      2.666222      5.112435
87
Coordinates from ORCA-job orca E -6506.323757379451
  N      -3.032741      1.694967      5.481859
  Mo     -4.565399      2.645972      6.323804
  N      -5.443218      1.675167      7.818047
  C      -4.856597      1.688893      9.162521
  C      -3.334387      1.641250      9.083322
  N      -2.847689      2.642303      8.123492
  C      -1.617926      2.263476      7.414889
  C      -1.919973      1.245697      6.318533
  C      -2.856373      4.018026      8.634733
  C      -3.100757      5.004649      7.498638
  N      -4.232700      4.581122      6.673667
  H      -1.011153      1.124501      5.700323
  H      -2.136714      0.252294      6.758309
  H      -1.212534      3.171258      6.945546
  H      -0.849884      1.868364      8.107607
  H      -3.308337      5.999828      7.935145
  H      -2.192833      5.117649      6.877680
  H      -3.683921      4.094367      9.354404
  H      -1.919818      4.266264      9.171122
  H      -5.197299      0.816395      9.738382
  H      -5.190595      2.591576      9.711468
  H      -3.046901      0.648650      8.710467
  H      -2.879678      1.778740     10.083968
  C      -0.662429     -3.848250      0.068209
  C      -0.864058     -2.795191      1.134017
  O       0.085593     -2.155230      1.577732
  C      -2.250501     -2.549006      1.638336
  C      -3.367834     -3.251386      1.160508
  C      -4.638696     -2.987104      1.664029
  C      -4.783575     -2.028474      2.659065
  F      -6.026079     -1.771046      3.109200
  C      -3.692902     -1.304539      3.173723
  C      -3.859114     -0.345814      4.313540
  O      -4.591084     -0.613717      5.251927
  C      -3.118989      0.993593      4.226743
  C      -2.434737     -1.576438      2.631157
  C      -2.953460     10.135682     -0.065799
  C      -2.642213      9.009402      0.894353
  O      -1.571590      8.413139      0.842695
  C      -3.674687      8.639031      1.915454
  C      -4.904340      9.312477      2.024679
  C      -5.827280      8.937310      2.993969
  C      -5.516544      7.888806      3.854591
  F      -6.449658      7.565453      4.780963
  C      -4.306330      7.179858      3.784007
  C      -3.892863      6.025419      4.664447
  O      -2.862157      5.417971      4.411887
  C      -4.769902      5.641927      5.857240
  C      -3.403229      7.585935      2.792784
  C      -7.929832     -5.418539      3.852091
  C      -7.041898     -4.538099      4.704832
  O      -5.829314     -4.726292      4.749459
  C      -7.675799     -3.422838      5.472848
  C      -9.051822     -3.144425      5.397600
  C      -9.593190     -2.060842      6.082583
  C      -8.743656     -1.246363      6.822765
  F      -9.294028     -0.191488      7.474538
  C      -7.369863     -1.491070      6.939667
  C      -6.395609     -0.618745      7.679886
  O      -5.407056     -1.116307      8.196918
  C      -6.650816      0.894505      7.685111
  C      -6.860810     -2.603264      6.261842
  H       0.400497     -3.898060     -0.190031
  H      -1.001151     -4.833005      0.424620
  H      -1.249161     -3.610907     -0.832248
  H      -3.254355     -4.011896      0.387850
  H      -5.520620     -3.515603      1.301994
  H      -3.700199      1.586810      3.498285
  H      -2.121144      0.845193      3.775257
  H      -1.549897     -1.054979      2.998196
  H      -3.141223     11.073139      0.479897
  H      -3.859984      9.914212     -0.649550
  H      -2.104979     10.272121     -0.744308
  H      -5.148137     10.135363      1.352541
  H      -6.788144      9.441624      3.098183
  H      -4.942856      6.559800      6.455036
  H      -5.750913      5.344614      5.456369
  H      -2.455277      7.052074      2.712119
  H      -8.721035     -5.886808      4.456565
  H      -7.317853     -6.195579      3.382105
  H      -8.428732     -4.822062      3.072665
  H      -9.712118     -3.770136      4.797045
  H     -10.658140     -1.830947      6.046014
  H      -7.369008      1.094228      8.507788
  H      -7.159857      1.167779      6.750723
  H      -5.791744     -2.804186      6.317710
  N      -5.724184      2.667533      5.113422
87
Coordinates from ORCA-job orca E -6506.323757956101
  N      -3.035359      1.694121      5.481982
  Mo     -4.567124      2.645758      6.324348
  N      -5.443945      1.674762      7.819012
  C      -4.856630      1.688221      9.163173
  C      -3.334435      1.641590      9.083152
  N      -2.848793      2.642810      8.122980
  C      -1.619329      2.264417      7.413547
  C      -1.921679      1.245887      6.317999
  C      -2.857680      4.018524      8.634190
  C      -3.102625      5.005074      7.498137
  N      -4.234479      4.581083      6.673316
  H      -1.013252      1.124811      5.699186
  H      -2.137662      0.252599      6.758441
  H      -1.215025      3.172193      6.943256
  H      -0.850424      1.870256      8.105864
  H      -3.310545      6.000154      7.934656
  H      -2.194788      5.118368      6.877076
  H      -3.685007      4.094608      9.354153
  H      -1.920979      4.267011      9.170246
  H      -5.196406      0.815131      9.738710
  H      -5.191034      2.590381      9.712762
  H      -3.046414      0.649138      8.710309
  H      -2.879276      1.779500     10.083516
  C      -0.661472     -3.842133      0.062889
  C      -0.863906     -2.789456      1.128953
  O       0.085009     -2.147527      1.571399
  C      -2.250086     -2.546610      1.635599
  C      -3.366550     -3.251506      1.159482
  C      -4.637218     -2.990417      1.665150
  C      -4.782740     -2.032250      2.660532
  F      -6.025084     -1.777794      3.112711
  C      -3.692922     -1.305785      3.173512
  C      -3.859615     -0.347778      4.313884
  O      -4.589464     -0.617622      5.253326
  C      -3.121632      0.992785      4.226832
  C      -2.434966     -1.574717      2.628959
  C      -2.948457     10.135273     -0.064647
  C      -2.638373      9.008922      0.895798
  O      -1.568084      8.412000      0.844742
  C      -3.672043      8.638524      1.915674
  C      -4.901555      9.312414      2.023931
  C      -5.825539      8.937330      2.992242
  C      -5.516003      7.888489      3.852877
  F      -6.450008      7.565411      4.778445
  C      -4.306056      7.178965      3.783120
  C      -3.893874      6.024106      4.663588
  O      -2.863296      5.416190      4.411693
  C      -4.771419      5.641487      5.856285
  C      -3.401865      7.584969      2.792855
  C      -7.929913     -5.420378      3.855737
  C      -7.042031     -4.538772      4.707271
  O      -5.829304     -4.726216      4.751385
  C      -7.676208     -3.423489      5.475057
  C      -9.052151     -3.144985      5.399103
  C      -9.593739     -2.061003      6.083297
  C      -8.744468     -1.246433      6.823718
  F      -9.295061     -0.191245      7.474774
  C      -7.370754     -1.491380      6.941509
  C      -6.396775     -0.618687      7.681755
  O      -5.409398     -1.116303      8.201030
  C      -6.651927      0.894548      7.686928
  C      -6.861449     -2.603748      6.264152
  H       0.400971     -3.888590     -0.197908
  H      -0.996018     -4.827840      0.420622
  H      -1.251225     -3.607174     -0.836200
  H      -3.252577     -4.011535      0.386432
  H      -5.518403     -3.520899      1.304286
  H      -3.704334      1.585257      3.498955
  H      -2.123828      0.846150      3.774660
  H      -1.550813     -1.051263      2.994753
  H      -3.136543     11.072754      0.480887
  H      -3.854523      9.914035     -0.649208
  H      -2.099329     10.271498     -0.742403
  H      -5.144371     10.135624      1.351839
  H      -6.786254      9.442035      3.095751
  H      -4.944447      6.559676      6.453587
  H      -5.752320      5.344072      5.455167
  H      -2.454083      7.050713      2.712866
  H      -8.720930     -5.887718      4.461152
  H      -7.317874     -6.197984      3.386773
  H      -8.428995     -4.825186      3.075457
  H      -9.712208     -3.770834      4.798404
  H     -10.658632     -1.830970      6.046072
  H      -7.369475      1.094544      8.510112
  H      -7.161472      1.167912      6.752877
  H      -5.792426     -2.804748      6.320692
  N      -5.726599      2.666670      5.114590
